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Tetrakis(tetramethylammonium) tricarbonatodioxidouranate octahydrate.

Acta crystallographica. Section C, Crystal structure communications

Reed WA, Oliver AG, Rao L.
PMID: 21881176
Acta Crystallogr C. 2011 Sep;67:m301-3. doi: 10.1107/S0108270111032641. Epub 2011 Aug 26.

The environment of the U atom in the title compound, (C(4)H(12)N)(4)[UO(2)(CO(3))(3)]·8H(2)O, presents a typical hexagonal bipyramidal geometry found in many actinide complexes. It is a model for actinide species and consists of common environmental moieties (carbonate, water and ammonia...

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Reed WA, Oliver AG, Rao L. Tetrakis(tetramethylammonium) tricarbonatodioxidouranate octahydrate. Acta Crystallogr C. 2011;67:m301-3doi: 10.1107/S0108270111032641.
Reed, W. A., Oliver, A. G., & Rao, L. (2011). Tetrakis(tetramethylammonium) tricarbonatodioxidouranate octahydrate. Acta crystallographica. Section C, Crystal structure communications, 67m301-3. https://doi.org/10.1107/S0108270111032641
Reed, Wendy A, et al. "Tetrakis(tetramethylammonium) tricarbonatodioxidouranate octahydrate." Acta crystallographica. Section C, Crystal structure communications vol. 67 (2011): m301-3. doi: https://doi.org/10.1107/S0108270111032641
Reed WA, Oliver AG, Rao L. Tetrakis(tetramethylammonium) tricarbonatodioxidouranate octahydrate. Acta Crystallogr C. 2011 Sep;67:m301-3. doi: 10.1107/S0108270111032641. Epub 2011 Aug 26. PMID: 21881176.
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The Problem Behaviour Checklist: short scale to assess challenging behaviours.

BJPsych open

Tyrer P, Nagar J, Evans R, Oliver P, Bassett P, Liedtka N, Tarabi A.
PMID: 27703753
BJPsych Open. 2016 Feb 05;2(1):45-49. doi: 10.1192/bjpo.bp.115.002360. eCollection 2016 Jan.

BACKGROUND: Challenging behaviour, especially in intellectual disability, covers a wide range that is in need of further evaluation.AIMS: To develop a short but comprehensive instrument for all aspects of challenging behaviour.METHOD: In the first part of a two-stage enquiry,...

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Tyrer P, Nagar J, Evans R, et al. The Problem Behaviour Checklist: short scale to assess challenging behaviours. BJPsych Open. 2016;2(1):45-49doi: 10.1192/bjpo.bp.115.002360.
Tyrer, P., Nagar, J., Evans, R., Oliver, P., Bassett, P., Liedtka, N., & Tarabi, A. (2016). The Problem Behaviour Checklist: short scale to assess challenging behaviours. BJPsych open, 2(1), 45-49. https://doi.org/10.1192/bjpo.bp.115.002360
Tyrer, Peter, et al. "The Problem Behaviour Checklist: short scale to assess challenging behaviours." BJPsych open vol. 2,1 (2016): 45-49. doi: https://doi.org/10.1192/bjpo.bp.115.002360
Tyrer P, Nagar J, Evans R, Oliver P, Bassett P, Liedtka N, Tarabi A. The Problem Behaviour Checklist: short scale to assess challenging behaviours. BJPsych Open. 2016 Feb 05;2(1):45-49. doi: 10.1192/bjpo.bp.115.002360. eCollection 2016 Jan. PMID: 27703753; PMCID: PMC4995567.
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The Primary Photochemistry of Vision Occurs at the Molecular Speed Limit.

The journal of physical chemistry. B

Johnson PJM, Farag MH, Halpin A, Morizumi T, Prokhorenko VI, Knoester J, Jansen TLC, Ernst OP, Miller RJD.
PMID: 28358485
J Phys Chem B. 2017 Apr 27;121(16):4040-4047. doi: 10.1021/acs.jpcb.7b02329. Epub 2017 Apr 13.

Ultrafast photochemical reactions are initiated by vibronic transitions from the reactant ground state to the excited potential energy surface, directly populating excited-state vibrational modes. The primary photochemical reaction of vision, the isomerization of retinal in the protein rhodopsin, is...

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Johnson PJM, Farag MH, Halpin A, et al. The Primary Photochemistry of Vision Occurs at the Molecular Speed Limit. J Phys Chem B. 2017;121(16):4040-4047doi: 10.1021/acs.jpcb.7b02329.
Johnson, P. J. M., Farag, M. H., Halpin, A., Morizumi, T., Prokhorenko, V. I., Knoester, J., Jansen, T. L. C., Ernst, O. P., & Miller, R. J. D. (2017). The Primary Photochemistry of Vision Occurs at the Molecular Speed Limit. The journal of physical chemistry. B, 121(16), 4040-4047. https://doi.org/10.1021/acs.jpcb.7b02329
Johnson, Philip J M, et al. "The Primary Photochemistry of Vision Occurs at the Molecular Speed Limit." The journal of physical chemistry. B vol. 121,16 (2017): 4040-4047. doi: https://doi.org/10.1021/acs.jpcb.7b02329
Johnson PJM, Farag MH, Halpin A, Morizumi T, Prokhorenko VI, Knoester J, Jansen TLC, Ernst OP, Miller RJD. The Primary Photochemistry of Vision Occurs at the Molecular Speed Limit. J Phys Chem B. 2017 Apr 27;121(16):4040-4047. doi: 10.1021/acs.jpcb.7b02329. Epub 2017 Apr 13. PMID: 28358485.
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Mid-winter temperatures, not spring temperatures, predict breeding phenology in the European starling Sturnus vulgaris.

Royal Society open science

Williams TD, Bourgeon S, Cornell A, Ferguson L, Fowler M, Fronstin RB, Love OP.
PMID: 26064582
R Soc Open Sci. 2015 Jan 14;2(1):140301. doi: 10.1098/rsos.140301. eCollection 2015 Jan.

In many species, empirical data suggest that temperatures less than 1 month before breeding strongly influence laying date, consistent with predictions that short lag times between cue and response are more reliable, decreasing the chance of mismatch with prey....

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Williams TD, Bourgeon S, Cornell A, et al. Mid-winter temperatures, not spring temperatures, predict breeding phenology in the European starling Sturnus vulgaris. R Soc Open Sci. 2015;2(1):140301doi: 10.1098/rsos.140301.
Williams, T. D., Bourgeon, S., Cornell, A., Ferguson, L., Fowler, M., Fronstin, R. B., & Love, O. P. (2015). Mid-winter temperatures, not spring temperatures, predict breeding phenology in the European starling Sturnus vulgaris. Royal Society open science, 2(1), 140301. https://doi.org/10.1098/rsos.140301
Williams, Tony D, et al. "Mid-winter temperatures, not spring temperatures, predict breeding phenology in the European starling Sturnus vulgaris." Royal Society open science vol. 2,1 (2015): 140301. doi: https://doi.org/10.1098/rsos.140301
Williams TD, Bourgeon S, Cornell A, Ferguson L, Fowler M, Fronstin RB, Love OP. Mid-winter temperatures, not spring temperatures, predict breeding phenology in the European starling Sturnus vulgaris. R Soc Open Sci. 2015 Jan 14;2(1):140301. doi: 10.1098/rsos.140301. eCollection 2015 Jan. PMID: 26064582; PMCID: PMC4448784.
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Ensemble of Pinanones from the Permanganate Oxidation of Myrtenal.

The Journal of organic chemistry

Clay JM, Hesek D, Oliver AG, Lee M, Fisher JF.
PMID: 27281133
J Org Chem. 2016 Jul 01;81(13):5705-9. doi: 10.1021/acs.joc.6b00756. Epub 2016 Jun 23.

The buffered permanganate oxidation of (-)-myternal, a member of the pinene family, provides the α-hydroxyketone (-)-(1R,3S,5R)-3-hydroxy-6,6-dimethylbicyclo[3.1.1]heptan-2-one in preparative yield (65% on a multigram scale). This α-hydroxyketone is oxidized, in a second reaction, to the α,β-diketone (1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane-2,3-dione ("PinDione"). As both...

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Clay JM, Hesek D, Oliver AG, et al. Ensemble of Pinanones from the Permanganate Oxidation of Myrtenal. J Org Chem. 2016;81(13):5705-9doi: 10.1021/acs.joc.6b00756.
Clay, J. M., Hesek, D., Oliver, A. G., Lee, M., & Fisher, J. F. (2016). Ensemble of Pinanones from the Permanganate Oxidation of Myrtenal. The Journal of organic chemistry, 81(13), 5705-9. https://doi.org/10.1021/acs.joc.6b00756
Clay, Julia M, et al. "Ensemble of Pinanones from the Permanganate Oxidation of Myrtenal." The Journal of organic chemistry vol. 81,13 (2016): 5705-9. doi: https://doi.org/10.1021/acs.joc.6b00756
Clay JM, Hesek D, Oliver AG, Lee M, Fisher JF. Ensemble of Pinanones from the Permanganate Oxidation of Myrtenal. J Org Chem. 2016 Jul 01;81(13):5705-9. doi: 10.1021/acs.joc.6b00756. Epub 2016 Jun 23. PMID: 27281133.
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The Metal or the Ligand? The Preferred Locus for Redox Changes in Oxygen Atom Transfer Reactions of Rhenium Amidodiphenoxides.

Journal of the American Chemical Society

Hoffman JM, Oliver AG, Brown SN.
PMID: 28257202
J Am Chem Soc. 2017 Mar 29;139(12):4521-4531. doi: 10.1021/jacs.7b00985. Epub 2017 Mar 16.

The rhenium(V) oxo complex oxo(triphenylphosphine) (bis(3,5-di-tert-butyl-2-phenoxo)amido)rhenium(V), (ONO

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Hoffman JM, Oliver AG, Brown SN. The Metal or the Ligand? The Preferred Locus for Redox Changes in Oxygen Atom Transfer Reactions of Rhenium Amidodiphenoxides. J Am Chem Soc. 2017;139(12):4521-4531doi: 10.1021/jacs.7b00985.
Hoffman, J. M., Oliver, A. G., & Brown, S. N. (2017). The Metal or the Ligand? The Preferred Locus for Redox Changes in Oxygen Atom Transfer Reactions of Rhenium Amidodiphenoxides. Journal of the American Chemical Society, 139(12), 4521-4531. https://doi.org/10.1021/jacs.7b00985
Hoffman, Justin M, et al. "The Metal or the Ligand? The Preferred Locus for Redox Changes in Oxygen Atom Transfer Reactions of Rhenium Amidodiphenoxides." Journal of the American Chemical Society vol. 139,12 (2017): 4521-4531. doi: https://doi.org/10.1021/jacs.7b00985
Hoffman JM, Oliver AG, Brown SN. The Metal or the Ligand? The Preferred Locus for Redox Changes in Oxygen Atom Transfer Reactions of Rhenium Amidodiphenoxides. J Am Chem Soc. 2017 Mar 29;139(12):4521-4531. doi: 10.1021/jacs.7b00985. Epub 2017 Mar 16. PMID: 28257202.
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Crystal structure of bis-(acetonyltri-phenyl-phospho-nium) tetra-chlorido-cobaltate(II).

Acta crystallographica. Section E, Crystallographic communications

Diop MB, Diop L, Oliver AG.
PMID: 26870428
Acta Crystallogr E Crystallogr Commun. 2015 Nov 04;71:m209-10. doi: 10.1107/S2056989015019180. eCollection 2015 Dec 01.

The complex title salt, (C21H20OP)2[CoCl4], is the reaction product of CoCl2 with acetonyltri-phenyl-phospho-nium chloride in aceto-nitrile. In the anion, the Co(II) atom exhibits a typical tetra-hedral environment, with Co-Cl distances ranging from 2.2721 (6) to 2.2901 (6) Å, and...

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Diop MB, Diop L, Oliver AG. Crystal structure of bis-(acetonyltri-phenyl-phospho-nium) tetra-chlorido-cobaltate(II). Acta Crystallogr E Crystallogr Commun. 2015;71:m209-10doi: 10.1107/S2056989015019180.
Diop, M. B., Diop, L., & Oliver, A. G. (2015). Crystal structure of bis-(acetonyltri-phenyl-phospho-nium) tetra-chlorido-cobaltate(II). Acta crystallographica. Section E, Crystallographic communications, 71m209-10. https://doi.org/10.1107/S2056989015019180
Diop, Mouhamadou Birame, et al. "Crystal structure of bis-(acetonyltri-phenyl-phospho-nium) tetra-chlorido-cobaltate(II)." Acta crystallographica. Section E, Crystallographic communications vol. 71 (2015): m209-10. doi: https://doi.org/10.1107/S2056989015019180
Diop MB, Diop L, Oliver AG. Crystal structure of bis-(acetonyltri-phenyl-phospho-nium) tetra-chlorido-cobaltate(II). Acta Crystallogr E Crystallogr Commun. 2015 Nov 04;71:m209-10. doi: 10.1107/S2056989015019180. eCollection 2015 Dec 01. PMID: 26870428; PMCID: PMC4719837.
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Crystal structure of [bis-(2-amino-ethyl-κN)(2-{[4-(tri-fluoro-meth-yl)benzyl-idene]amino}-eth-yl)amine-κN]di-chlorido-copper(II).

Acta crystallographica. Section E, Crystallographic communications

Bussey KA, Cavalier AR, Mraz ME, Holderread AS, Oshin KD, Oliver AG, Zeller M.
PMID: 26870592
Acta Crystallogr E Crystallogr Commun. 2016 Jan 01;72:83-6. doi: 10.1107/S2056989015024147. eCollection 2016 Jan 01.

The Cu(II) atom in the title compound, [CuCl2(C14H21F3N4)], adopts a coordination geometry that is between distorted square-based pyramidal and very Jahn-Teller-elongated octa-hedral. It is coordinated by three N atoms from the bis-(2-amino-eth-yl)(2-{[4-(tri-fluoro-meth-yl)benzyl-idene]amino}-eth-yl)amine and two chloride ligands. The two crystallographically...

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Bussey KA, Cavalier AR, Mraz ME, et al. Crystal structure of [bis-(2-amino-ethyl-κN)(2-{[4-(tri-fluoro-meth-yl)benzyl-idene]amino}-eth-yl)amine-κN]di-chlorido-copper(II). Acta Crystallogr E Crystallogr Commun. 2016;72:83-6doi: 10.1107/S2056989015024147.
Bussey, K. A., Cavalier, A. R., Mraz, M. E., Holderread, A. S., Oshin, K. D., Oliver, A. G., & Zeller, M. (2016). Crystal structure of [bis-(2-amino-ethyl-κN)(2-{[4-(tri-fluoro-meth-yl)benzyl-idene]amino}-eth-yl)amine-κN]di-chlorido-copper(II). Acta crystallographica. Section E, Crystallographic communications, 7283-6. https://doi.org/10.1107/S2056989015024147
Bussey, Katherine A, et al. "Crystal structure of [bis-(2-amino-ethyl-κN)(2-{[4-(tri-fluoro-meth-yl)benzyl-idene]amino}-eth-yl)amine-κN]di-chlorido-copper(II)." Acta crystallographica. Section E, Crystallographic communications vol. 72 (2016): 83-6. doi: https://doi.org/10.1107/S2056989015024147
Bussey KA, Cavalier AR, Mraz ME, Holderread AS, Oshin KD, Oliver AG, Zeller M. Crystal structure of [bis-(2-amino-ethyl-κN)(2-{[4-(tri-fluoro-meth-yl)benzyl-idene]amino}-eth-yl)amine-κN]di-chlorido-copper(II). Acta Crystallogr E Crystallogr Commun. 2016 Jan 01;72:83-6. doi: 10.1107/S2056989015024147. eCollection 2016 Jan 01. PMID: 26870592; PMCID: PMC4704757.
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Crystal structure of the thermochromic bis-(di-ethyl-ammonium) tetra-chlorido-cuprate(II) complex.

Acta crystallographica. Section E, Crystallographic communications

Aldrich EP, Bussey KA, Connell JR, Reinhart EF, Oshin KD, Mercado BQ, Oliver AG.
PMID: 26870581
Acta Crystallogr E Crystallogr Commun. 2016 Jan 01;72:40-3. doi: 10.1107/S2056989015023348. eCollection 2016 Jan 01.

In the structure of the title complex salt, (Et2NH2)2[CuCl4], the asymmetric unit consists of four unique di-ethyl-ammonium cations and three unique tetra-chlorido-cuprate anions. Two of the three anions are located with their copper atoms on independent crystallographic twofold axes,...

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Aldrich EP, Bussey KA, Connell JR, et al. Crystal structure of the thermochromic bis-(di-ethyl-ammonium) tetra-chlorido-cuprate(II) complex. Acta Crystallogr E Crystallogr Commun. 2016;72:40-3doi: 10.1107/S2056989015023348.
Aldrich, E. P., Bussey, K. A., Connell, J. R., Reinhart, E. F., Oshin, K. D., Mercado, B. Q., & Oliver, A. G. (2016). Crystal structure of the thermochromic bis-(di-ethyl-ammonium) tetra-chlorido-cuprate(II) complex. Acta crystallographica. Section E, Crystallographic communications, 7240-3. https://doi.org/10.1107/S2056989015023348
Aldrich, Emily P, et al. "Crystal structure of the thermochromic bis-(di-ethyl-ammonium) tetra-chlorido-cuprate(II) complex." Acta crystallographica. Section E, Crystallographic communications vol. 72 (2016): 40-3. doi: https://doi.org/10.1107/S2056989015023348
Aldrich EP, Bussey KA, Connell JR, Reinhart EF, Oshin KD, Mercado BQ, Oliver AG. Crystal structure of the thermochromic bis-(di-ethyl-ammonium) tetra-chlorido-cuprate(II) complex. Acta Crystallogr E Crystallogr Commun. 2016 Jan 01;72:40-3. doi: 10.1107/S2056989015023348. eCollection 2016 Jan 01. PMID: 26870581; PMCID: PMC4704760.
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Solid-state Porphyrin Interactions with Oppositely Charged Peripheral Groups.

Journal of porphyrins and phthalocyanines

Scheidt WR, Cheng B, Oliver AG, Goodwin JA.
PMID: 27547029
J Porphyr Phthalocyanines. 2015 Dec;19(12):1256-1261. doi: 10.1142/S1088424615501084.

The crystallization and the crystal and molecular structure of a very slightly soluble electrostatically interacting pair of porphyrins is described. The tetra-anion 5,10,15,20-tetrakis-(4-sulfonatophenyl)-21,23H-porphyrin [H

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Scheidt WR, Cheng B, Oliver AG, et al. Solid-state Porphyrin Interactions with Oppositely Charged Peripheral Groups. J Porphyr Phthalocyanines. 2015;19(12):1256-1261doi: 10.1142/S1088424615501084.
Scheidt, W. R., Cheng, B., Oliver, A. G., & Goodwin, J. A. (2015). Solid-state Porphyrin Interactions with Oppositely Charged Peripheral Groups. Journal of porphyrins and phthalocyanines, 19(12), 1256-1261. https://doi.org/10.1142/S1088424615501084
Scheidt, W Robert, et al. "Solid-state Porphyrin Interactions with Oppositely Charged Peripheral Groups." Journal of porphyrins and phthalocyanines vol. 19,12 (2015): 1256-1261. doi: https://doi.org/10.1142/S1088424615501084
Scheidt WR, Cheng B, Oliver AG, Goodwin JA. Solid-state Porphyrin Interactions with Oppositely Charged Peripheral Groups. J Porphyr Phthalocyanines. 2015 Dec;19(12):1256-1261. doi: 10.1142/S1088424615501084. PMID: 27547029; PMCID: PMC4986918.
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Accelerating Scientific Discovery Through Computation and Visualization II.

Journal of research of the National Institute of Standards and Technology

Sims JS, George WL, Satterfield SG, Hung HK, Hagedorn JG, Ketcham PM, Griffin TJ, Hagstrom SA, Franiatte JC, Bryant GW, Jaskólski W, Martys NS, Bouldin CE, Simmons V, Nicolas OP, Warren JA, Am Ende BA, Koontz JE, Filla BJ, Pourprix VG, Copley SR, Bohn RB, Peskin AP, Parker YM, Devaney JE.
PMID: 27446728
J Res Natl Inst Stand Technol. 2002 Jun 01;107(3):223-45. doi: 10.6028/jres.107.019. Print 2002.

This is the second in a series of articles describing a wide variety of projects at NIST that synergistically combine physical science and information science. It describes, through examples, how the Scientific Applications and Visualization Group (SAVG) at NIST...

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Sims JS, George WL, Satterfield SG, et al. Accelerating Scientific Discovery Through Computation and Visualization II. J Res Natl Inst Stand Technol. 2002;107(3):223-45doi: 10.6028/jres.107.019.
Sims, J. S., George, W. L., Satterfield, S. G., Hung, H. K., Hagedorn, J. G., Ketcham, P. M., Griffin, T. J., Hagstrom, S. A., Franiatte, J. C., Bryant, G. W., Jaskólski, W., Martys, N. S., Bouldin, C. E., Simmons, V., Nicolas, O. P., Warren, J. A., Am Ende, B. A., Koontz, J. E., Filla, B. J., Pourprix, V. G., Copley, S. R., Bohn, R. B., Peskin, A. P., Parker, Y. M., & Devaney, J. E. (2002). Accelerating Scientific Discovery Through Computation and Visualization II. Journal of research of the National Institute of Standards and Technology, 107(3), 223-45. https://doi.org/10.6028/jres.107.019
Sims, James S, et al. "Accelerating Scientific Discovery Through Computation and Visualization II." Journal of research of the National Institute of Standards and Technology vol. 107,3 (2002): 223-45. doi: https://doi.org/10.6028/jres.107.019
Sims JS, George WL, Satterfield SG, Hung HK, Hagedorn JG, Ketcham PM, Griffin TJ, Hagstrom SA, Franiatte JC, Bryant GW, Jaskólski W, Martys NS, Bouldin CE, Simmons V, Nicolas OP, Warren JA, Am Ende BA, Koontz JE, Filla BJ, Pourprix VG, Copley SR, Bohn RB, Peskin AP, Parker YM, Devaney JE. Accelerating Scientific Discovery Through Computation and Visualization II. J Res Natl Inst Stand Technol. 2002 Jun 01;107(3):223-45. doi: 10.6028/jres.107.019. Print 2002. PMID: 27446728; PMCID: PMC4861354.
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Crystal structure of 4-hy-droxy-pyridin-1-ium 3,5-di-carb-oxy-benzoate.

Acta crystallographica. Section E, Crystallographic communications

Staun SL, Oliver AG.
PMID: 26279886
Acta Crystallogr E Crystallogr Commun. 2015 Jun 27;71:861-3. doi: 10.1107/S2056989015011780. eCollection 2015 Jul 01.

The structure of the title salt, C5H6NO(+)·C9H5O6 (-), (I), shows that 4-hy-droxy-pyridine has abstracted an H atom from benzene-1,3,5-tri-carb-oxy-lic acid, yielding a pyridinium cation and carboxyl-ate anion. The two ions form an extensive three-dimensional hydrogen-bonded network throughout the crystal....

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Staun SL, Oliver AG. Crystal structure of 4-hy-droxy-pyridin-1-ium 3,5-di-carb-oxy-benzoate. Acta Crystallogr E Crystallogr Commun. 2015;71:861-3doi: 10.1107/S2056989015011780.
Staun, S. L., & Oliver, A. G. (2015). Crystal structure of 4-hy-droxy-pyridin-1-ium 3,5-di-carb-oxy-benzoate. Acta crystallographica. Section E, Crystallographic communications, 71861-3. https://doi.org/10.1107/S2056989015011780
Staun, Selena L, and Oliver, Allen G. "Crystal structure of 4-hy-droxy-pyridin-1-ium 3,5-di-carb-oxy-benzoate." Acta crystallographica. Section E, Crystallographic communications vol. 71 (2015): 861-3. doi: https://doi.org/10.1107/S2056989015011780
Staun SL, Oliver AG. Crystal structure of 4-hy-droxy-pyridin-1-ium 3,5-di-carb-oxy-benzoate. Acta Crystallogr E Crystallogr Commun. 2015 Jun 27;71:861-3. doi: 10.1107/S2056989015011780. eCollection 2015 Jul 01. PMID: 26279886; PMCID: PMC4518931.
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