Acta Crystallographica Section C

Crystal Structure Communications

Volume 68, Part 7 (July 2012)


	Cover illustration: A view of the three-dimensional hydrogen-bonded pts framework in 4,4'-bi(1H-pyrazol-2-ium) tetrachloridoaurate(III) chloride, down the c axis, showing how the tetrachloridoaurate(III) stacks are incorporated inside the channels. N atoms are shaded and dotted lines indicate hydrogen bonding. See Domasevitch [Acta Cryst. (2012), C68, m169-m172].

inorganic compounds
metal-organic compounds
organic compounds

inorganic compounds

Acta Cryst. (2012). C68, i41-i44 [ doi:10.1107/S010827011202536X ]

A novel crystal polymorph of volborthite, Cu₃V₂O₇(OH)₂·2H₂O

H. Ishikawa, J. Yamaura, Y. Okamoto, H. Yoshida, G. J. Nilsen and Z. Hiroi

Synopsis: X-ray diffraction reveals a new polymorph of volborthite in a single crystal prepared by hydrothermal means. The structure is monoclinic (space group C2/c) at room temperature, with the unit cell doubled with respect to the previously reported C2/m structure.

Formula: Cu₃V₂O₇(OH)₂·2H₂O

Online 13 June 2012

Acta Cryst. (2012). C68, i45-i49 [ doi:10.1107/S0108270112021865 ]

Pb₅In₃Bi₅S₁₇ [Pb_4.94(3)In_3.05(3)Bi_4.99(3)S₁₇] and its structural relationship with Pb₄In₃Bi₇S₁₈

H. P. Winkler, D. Topa and E. Keller

Synopsis: The structure of the compound Pb_4.94(3)In_3.05(3)Bi_4.99(3)S₁₇, a compositional variant of a new quaternary sulfide phase, is closely related to that of Pb₄In₃Bi₇S₁₈.

Formula: Pb_4.93In_3.05Bi_5.02S₁₇

Online 13 June 2012

Acta Cryst. (2012). C68, i50-i52 [ doi:10.1107/S0108270112024419 ]

Pentaguanidinium monohydrogendiphosphopentamolybdate(VI) 2.5-hydrate, (CH₆N₃)₅[HP₂Mo₅O₂₃]·2.5H₂O: hydrogen bonding and -stacking in guanidinium cations

P. Di Tondo and R. G. Pritchard

Synopsis: In the title compound, each singly protonated diphosphopentamolybdate(VI) anion retains the typical geometry of a ring of five edge-sharing MoO₆ octahedra, except for one corner-sharing link. Two capping PO₄ tetrahedra share corners with the five octahedra. Despite being surrounded by an extensive network of hydrogen bonds, predominantly from the guanidinium cations, short P-O-HO=P contacts associate the anions into infinite columns generated by the c-glide.

Formula: (CH₆N₃)₅[HP₂Mo₅O₂₃]·2.5H₂O

Online 15 June 2012

Acta Cryst. (2012). C68, i53-i54 [ doi:10.1107/S0108270112026649 ]

Li_0.97Fe^II_0.79Fe^III_0.15(PO₄), a new oxidized triphylite-type phosphate

F. Dal Bo and F. Hatert

Synopsis: The title compound, Li_0.97Fe^II_0.79Fe^III_0.15(PO₄), has been synthesized hydrothermally at 973 K and 0.1 GPa. Its crystal structure is similar to that of natural triphylite and is characterized by two chains of edge-sharing octahedra parallel to the b axis. The M1 octahedra contain Li and vacancies, and the M2 octahedra contain Fe^II, Fe^III and vacancies.

Formula: LiFe^II_0.619Fe^III_0.254(PO₄)

Online 19 June 2012

metal-organic compounds

Acta Cryst. (2012). C68, m169-m172 [ doi:10.1107/S0108270112024389 ]

4,4'-Bi(1H-pyrazol-2-ium) tetrachloridoaurate(III) chloride: a three-dimensional cationic cooperite-like framework with multiple pyrazolium-chloride hydrogen-bonding interactions

K. V. Domasevitch

Formula: (C₆H₈N₄)[AuCl₄]Cl

Online 13 June 2012

Acta Cryst. (2012). C68, m173-m176 [ doi:10.1107/S0108270112023347 ]

Self-assembly of long-chain quaternary ammonium cations in a hybrid inorganic-organic material with one-dimensional polymeric tribromidoplumbate(II)

M. A. Hodorowicz, A. Piaskowska and K. M. Stadnicka

Formula: (C₁₉H₃₄N)[PbBr₃]

Online 13 June 2012

Acta Cryst. (2012). C68, m177-m180 [ doi:10.1107/S0108270112023153 ]

A new two-dimensional cadmium coordination polymer with 1H-imidazole-4-carboxylate and oxalate

X. Yin, S.-L. Cai, S.-R. Zheng, J. Fan and W.-G. Zhang

Formula: [Cd(C₄H₃N₂O₂)(C₂O₄)_0.5(H₂O)]

Online 13 June 2012

Acta Cryst. (2012). C68, m181-m184 [ doi:10.1107/S0108270112025577 ]

Two [Cu₂I₂]-based coordination polymers of 1,3-bis(pyridin-4-yl)propane

L.-M. Wan, Z. Yang, A.-X. Zheng, Z.-G. Ren and J.-P. Lang

Formula: [Cu₂I₂(C₁₃H₁₄N₂)₂]·4C₇H₉N and [Cu₂I₂(C₁₃H₁₄N₂)₂]·C₆H₄I₂

Online 15 June 2012

Acta Cryst. (2012). C68, m185-m188 [ doi:10.1107/S0108270112024468 ]

Bis(2-amino-1H-benzimidazol-3-ium) tetrakis(-but-2-enoato)-⁴O:O';³O,O':O;³O:O,O'-bis[bis(but-2-enoato-²O,O')holmium(III)]

A. M. Atria, M. T. Garland and R. Baggio

Formula: (C₇H₈N₃)₂[Ho₂(C₄H₅O₂)₈]

Online 15 June 2012

Acta Cryst. (2012). C68, m189-m193 [ doi:10.1107/S0108270112023748 ]

- Dimerization of a mono(pyridyl-imine) platinum(II) chelate

R. C. Salmond and O. Q. Munro

Formula: [PtCl(C₁₂H₁₉N₃)]BF₄

Online 15 June 2012

Acta Cryst. (2012). C68, m194-m196 [ doi:10.1107/S0108270112026625 ]

The three-dimensional coordination network in poly[di-₃-cyanido-₅-[5-(pyridin-4-yl)tetrazolato]-tricopper(I)]

G.-X. Meng, J.-H. Zhu, Y.-M. Feng, X.-T. Huang and H.-L. Yang

Formula: [Cu₃(C₆H₄N₅)(CN)₂]

Online 16 June 2012

Acta Cryst. (2012). C68, m197-m199 [ doi:10.1107/S010827011202642X ]

An example of the refinement of positional disorder modeled as compositional disorder in [5-(2-formylphenyl)-10,15,20-triphenylporphyrinato]nickel(II)

L. C. Spencer, S. A. Yao, J. F. Berry and I. A. Guzei

Formula: [Ni(C₄₅H₂₈N₄O)]

Online 26 June 2012

Acta Cryst. (2012). C68, m200-m202 [ doi:10.1107/S0108270112026005 ]

A new hybrid organic-inorganic chain: [(phen)Cu--(²O:O'-VP₂O₁₀H₃)₂-Cu(phen)]_n

D. Venegas-Yazigi, A. Vega, K. Valdes de la Barra, M. Saldias and E. Le Fur

Formula: [CuV(HPO₄)(H₂PO₄)O₂(C₁₂H₈N₂)]

Online 26 June 2012

organic compounds

Acta Cryst. (2012). C68, o247-o252 [ doi:10.1107/S010827011202358X ]

XRD and VCD: a marriage of love or convenience? Honeymoon around a cyclic urea derivative

D. Gherase, J.-V. Naubron, C. Roussel and M. Giorgi

Formula: C₃₂H₃₀N₂O₃·0.33H₂0 and C₃₂H₃₀N₂O₃·0.39H₂O

Online 13 June 2012

Acta Cryst. (2012). C68, o253-o256 [ doi:10.1107/S010827011202447X ]

Cyclic imides and an open-chain amide carboxylic acid from the facile reaction of cis-cyclohexane-1,2-carboxylic anhydride with the isomeric monofluoroanilines

G. Smith and U. D. Wermuth

Formula: C₁₄H₁₄FNO₂, C₁₄H₁₆FNO₃ and C₁₄H₁₄FNO₂

Online 13 June 2012

Acta Cryst. (2012). C68, o257-o261 [ doi:10.1107/S0108270112024584 ]

Intermolecular C-HO and C-HX interactions in substituted spiroacenaphthylene structures

J. Suresh, R. Vishnupriya, S. Sivakumar, R. R. Kumar and S. Athimoolam

Formula: C₃₅H₂₆Cl₄N₂O₂S, C₃₅H₂₈F₂N₂O₂S and C₃₅H₂₈Br₂N₂O₂S

Online 13 June 2012

Acta Cryst. (2012). C68, o262-o265 [ doi:10.1107/S0108270112024456 ]

A 1:1 cocrystal of baicalein with nicotinamide

M. Sowa, K. Slepokura and E. Matczak-Jon

Formula: C₆H₆N₂·C₁₅H₁₀O₅

Online 15 June 2012

Acta Cryst. (2012). C68, o266-o269 [ doi:10.1107/S0108270112024912 ]

4-Carboxypyridinium perchlorate 18-crown-6 dihydrate clathrate and 4-carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate

P. Shi, L. Zhang and Q. Ye

Formula: C₆H₆NO₂⁺·ClO₄^-·C₁₂H₂₄O₆·2H₂O and C₆H₆NO₂⁺·BF₄^-·C₁₂H₂₄O₆·2H₂O

Online 15 June 2012

Acta Cryst. (2012). C68, o270-o278 [ doi:10.1107/S0108270112026443 ]

Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones

W. H. Ojala, T. M. Arola, A. M. Brigino, J. D. Leavell and C. R. Ojala

Formula: C₁₄H₁₀ClN₃, C₁₄H₁₀BrN₃, C₁₄H₁₀IN₃ and C₁₃H₁₀ClN₃O₂

Online 19 June 2012

Acta Crystallographica Section C

Crystal Structure Communications

Volume 68, Part 7 (July 2012)

inorganic compounds

A novel crystal polymorph of volborthite, Cu3V2O7(OH)2·2H2O

H. Ishikawa, J. Yamaura, Y. Okamoto, H. Yoshida, G. J. Nilsen and Z. Hiroi

Pb5In3Bi5S17 [Pb4.94(3)In3.05(3)Bi4.99(3)S17] and its structural relationship with Pb4In3Bi7S18

H. P. Winkler, D. Topa and E. Keller

Pentaguanidinium monohydrogendiphosphopentamolybdate(VI) 2.5-hydrate, (CH6N3)5[HP2Mo5O23]·2.5H2O: hydrogen bonding and -stacking in guanidinium cations

P. Di Tondo and R. G. Pritchard

Li0.97FeII0.79FeIII0.15(PO4), a new oxidized triphylite-type phosphate

F. Dal Bo and F. Hatert

metal-organic compounds

4,4'-Bi(1H-pyrazol-2-ium) tetrachloridoaurate(III) chloride: a three-dimensional cationic cooperite-like framework with multiple pyrazolium-chloride hydrogen-bonding interactions

K. V. Domasevitch

Self-assembly of long-chain quaternary ammonium cations in a hybrid inorganic-organic material with one-dimensional polymeric tribromidoplumbate(II)

M. A. Hodorowicz, A. Piaskowska and K. M. Stadnicka

A new two-dimensional cadmium coordination polymer with 1H-imidazole-4-carboxylate and oxalate

X. Yin, S.-L. Cai, S.-R. Zheng, J. Fan and W.-G. Zhang

Two [Cu2I2]-based coordination polymers of 1,3-bis(pyridin-4-yl)propane

L.-M. Wan, Z. Yang, A.-X. Zheng, Z.-G. Ren and J.-P. Lang

Bis(2-amino-1H-benzimidazol-3-ium) tetrakis(-but-2-enoato)-4O:O';3O,O':O;3O:O,O'-bis[bis(but-2-enoato-2O,O')holmium(III)]

A. M. Atria, M. T. Garland and R. Baggio

- Dimerization of a mono(pyridyl-imine) platinum(II) chelate

R. C. Salmond and O. Q. Munro

The three-dimensional coordination network in poly[di-3-cyanido-5-[5-(pyridin-4-yl)tetrazolato]-tricopper(I)]

G.-X. Meng, J.-H. Zhu, Y.-M. Feng, X.-T. Huang and H.-L. Yang

An example of the refinement of positional disorder modeled as compositional disorder in [5-(2-formylphenyl)-10,15,20-triphenylporphyrinato]nickel(II)

L. C. Spencer, S. A. Yao, J. F. Berry and I. A. Guzei

A new hybrid organic-inorganic chain: [(phen)Cu--(2O:O'-VP2O10H3)2-Cu(phen)]n

D. Venegas-Yazigi, A. Vega, K. Valdes de la Barra, M. Saldias and E. Le Fur

organic compounds

XRD and VCD: a marriage of love or convenience? Honeymoon around a cyclic urea derivative

D. Gherase, J.-V. Naubron, C. Roussel and M. Giorgi

Cyclic imides and an open-chain amide carboxylic acid from the facile reaction of cis-cyclohexane-1,2-carboxylic anhydride with the isomeric monofluoroanilines

G. Smith and U. D. Wermuth

Intermolecular C-HO and C-HX interactions in substituted spiroacenaphthylene structures

J. Suresh, R. Vishnupriya, S. Sivakumar, R. R. Kumar and S. Athimoolam

A 1:1 cocrystal of baicalein with nicotinamide

M. Sowa, K. Slepokura and E. Matczak-Jon

4-Carboxypyridinium perchlorate 18-crown-6 dihydrate clathrate and 4-carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate

P. Shi, L. Zhang and Q. Ye

Competing intermolecular interactions in some `bridge-flipped' isomeric phenylhydrazones

W. H. Ojala, T. M. Arola, A. M. Brigino, J. D. Leavell and C. R. Ojala

A novel crystal polymorph of volborthite, Cu₃V₂O₇(OH)₂·2H₂O

Pb₅In₃Bi₅S₁₇ [Pb_4.94(3)In_3.05(3)Bi_4.99(3)S₁₇] and its structural relationship with Pb₄In₃Bi₇S₁₈

Pentaguanidinium monohydrogendiphosphopentamolybdate(VI) 2.5-hydrate, (CH₆N₃)₅[HP₂Mo₅O₂₃]·2.5H₂O: hydrogen bonding and -stacking in guanidinium cations

Li_0.97Fe^II_0.79Fe^III_0.15(PO₄), a new oxidized triphylite-type phosphate

Two [Cu₂I₂]-based coordination polymers of 1,3-bis(pyridin-4-yl)propane

Bis(2-amino-1H-benzimidazol-3-ium) tetrakis(-but-2-enoato)-⁴O:O';³O,O':O;³O:O,O'-bis[bis(but-2-enoato-²O,O')holmium(III)]

The three-dimensional coordination network in poly[di-₃-cyanido-₅-[5-(pyridin-4-yl)tetrazolato]-tricopper(I)]

A new hybrid organic-inorganic chain: [(phen)Cu--(²O:O'-VP₂O₁₀H₃)₂-Cu(phen)]_n