Acta Crystallographica Section C

Crystal Structure Communications

Volume 68, Part 6 (June 2012)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: 2 × 2  × 2 unit cells of Fe(NO3)3·6H2O, viewed in the a-axis direction. See Schmidt, Asztalos, Bok & Voigt [Acta Cryst. (2012), C68, i29-i33].

inorganic compounds


 

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Acta Cryst. (2012). C68, i29-i33  [ doi:10.1107/S0108270112015855 ]

New iron(III) nitrate hydrates: Fe(NO3)3·xH2O with x = 4, 5 and 6

H. Schmidt, A. Asztalos, F. Bok and W. Voigt

Synopsis: The crystal structure of iron(III) trinitrate hexahydrate is built up from [Fe(H2O)6]2+ octahedra and nitrate anions connected via hydrogen bonds. In iron(III) trinitrate pentahydrate, one water molecule in the coordination octahedron of the FeIII atom is substituted by an O atom of a nitrate group. Iron(III) trinitrate tetrahydrate represents the first example of a simple iron(III) nitrate with pentagonal-bipyramidal coordination geometry, where two bidentate nitrate anions and one water molecule form a pentagonal plane.

Formula: [Fe(H2O)6](NO3)3, [Fe(NO3)(H2O)5](NO3)2 and [Fe(NO3)2(H2O)3]NO3·H2O

Online 12 May 2012


 

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Acta Cryst. (2012). C68, i34-i36  [ doi:10.1107/S0108270112020513 ]

Li3Al(MoO4)3, a lyonsite molybdate

D. E. Bugaris and H.-C. zur Loye

Synopsis: The compound Li3Al(MoO4)3 adopts the lyonsite crystal structure type. The edge-sharing and face-sharing octahedral sites exhibit disorder between Li+ and Al3+.

Formula: Li3Al(MoO4)3

Online 16 May 2012


 

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Acta Cryst. (2012). C68, i37-i40  [ doi:10.1107/S0108270112020367 ]

Lanthanum tetrazinc, LaZn4

I. Oshchapovsky, V. Pavlyuk, G. Dmytriv and A. Griffin

Synopsis: The structure of LaZn4 has been determined from single-crystal X-ray diffraction data for the first time, approximately 70 years after its first discovery. The structure is closely related to the BaAl4, La3Al11, BaNi2Si2 and CaCu5 structure types, which can be presented as close-packed arrangements of 18-vertex clusters, in this case LaZn18.

Formula: LaZn4

Online 16 May 2012


metal-organic compounds


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Acta Cryst. (2012). C68, m139-m142  [ doi:10.1107/S0108270112019312 ]

meso-Bis{[eta]5-1-[1-(dimethylamino)ethenyl]-3-(trimethylsilyl)cyclopentadienyl}iron(II) and the cobalt(II) analogue

X.-E Duan, H.-B. Tong, S.-D. Bai, X.-H. Wei and D.-S. Liu

Formula: [Fe(C12H20NSi)2] and [Co(C12H20NSi)2]

Online 6 May 2012


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Acta Cryst. (2012). C68, m143-m146  [ doi:10.1107/S0108270112015843 ]

Methanol[1-(methoxymethanimidoyl)-2-(pyridin-2-ylmethyl)guanidine]bis(perchlorato)copper(II)

A. Meenongwa, U. Chaveerach and A. J. Blake

Formula: [Cu(ClO4)2(C9H13N5O)(CH4O)]

Online 6 May 2012


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Acta Cryst. (2012). C68, m147-m151  [ doi:10.1107/S0108270112017659 ]

One-dimensional coordination polymers generated from a new triazole bridging ligand and HgX2 (X = Cl, Br and I): characterization and luminescent properties

N. Qin, C.-W. Zhao, J.-P. Ma, Q.-K. Liu and Y.-B. Dong

Formula: [Hg3Cl6(C18H14N6)2]·C2H3N, [Hg3Br6(C18H14N6)2]·C2H3N and [Hg3I6(C18H14N6)2]·C2H3N

Online 6 May 2012


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Acta Cryst. (2012). C68, m152-m155  [ doi:10.1107/S0108270112019233 ]

3,5-Bis{4-[(benzimidazol-1-yl)methyl]phenyl}-4H-1,2,4-triazol-4-amine and its one-dimensional polymeric complex with HgCl2

Y. Li, Q.-K. Liu, J.-P. Ma and Y.-B. Dong

Formula: C30H24N8 and [HgCl2(C30H24N8)]·0.5CH2Cl2

Online 10 May 2012


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Acta Cryst. (2012). C68, m156-m160  [ doi:10.1107/S0108270112019075 ]

The structures of three Hg2X4L2 macrocycles {X = Cl, Br and I, and L = 1,2-bis[4-(pyridin-3-yl)phenoxy]ethane} assembled from ether-bridged dipyridyl ligands

D. Wu, N. Qin, Q.-K. Liu, J.-P. Ma and Y.-B. Dong

Formula: [Hg2Cl4(C24H20N2O2)2], [Hg2Br4(C24H20N2O2)2] and [Hg2I4(C24H20N2O2)2]

Online 12 May 2012


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Acta Cryst. (2012). C68, m161-m165  [ doi:10.1107/S0108270112020938 ]

X-ray and DFT-calculated structures of a vanadyl Schiff base complex: (methanol-[kappa]O)[2-methoxy-6-({2-[(2-oxido-3-methoxybenzylidene)amino]benzyl}iminomethyl)phenolato-[kappa]4O1,N,N,O1']oxidovanadium(IV) monohydrate

K. Kurzak, K. Ejsmont and K. Koprek

Formula: [V(C23H20N2O4)O(CH4O)]·H2O

Online 30 May 2012


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Acta Cryst. (2012). C68, m166-m168  [ doi:10.1107/S0108270112020884 ]

Bis(1-tert-butyl-1H-imidazole-[kappa]N3)dichloridocobalt(II)

E. Herdtweck, A. Zeller and T. Strassner

Formula: [CoCl2(C7H12N2)2]

Online 30 May 2012


organic compounds


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Acta Cryst. (2012). C68, o213-o215  [ doi:10.1107/S0108270112018598 ]

1-[5-(4,5-Dimethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone and 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

N. Urdaneta, J. Nuñez, T. González and A. Briceño

Formula: C10H13BO3S and C13H17BO3

Online 6 May 2012


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Acta Cryst. (2012). C68, o216-o219  [ doi:10.1107/S0108270112020112 ]

Hydrogen bis[tris(4-fluorophenyl)phosphane oxide] triiodide

F. Haghjoo, N. A. Barnes, R. Pritchard, S. M. Godfrey and S. Ratcliffe

Formula: C36H25F6O2P2+·I3-

Online 10 May 2012


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Acta Cryst. (2012). C68, o220-o225  [ doi:10.1107/S0108270112020860 ]

Two closely related, and unexpected, quinolinone derivatives: a three-dimensional hydrogen-bonded framework structure and a hydrogen-bonded molecular ribbon of R22(18) and R44(24) rings

D. Insuasty, R. Abonía, J. Cobo and C. Glidewell

Formula: 0.84C26H19Cl2NO3·0.16C26H19Cl2NO3 and C36H22Cl2N2O4

Online 11 May 2012


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Acta Cryst. (2012). C68, o226-o230  [ doi:10.1107/S0108270112020604 ]

Structural characteristics of dibromoborylated benzene derivatives

S. Popp, K. Ruth, H.-W. Lerner and M. Bolte

Formula: C6H5BBr2, C9H13BBr2Si, C6H4BBr3, C8H12BBr2N and C11H19BBr2SSi

Online 11 May 2012


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Acta Cryst. (2012). C68, o231-o234  [ doi:10.1107/S0108270112021099 ]

Two androsterone derivatives as inhibitors of androgen biosynthesis

G.-B. Djigoue, M. Simard, L.-C. Kenmogne and D. Poirier

Formula: C26H41NO3 and C28H43NO5

Online 16 May 2012


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Acta Cryst. (2012). C68, o235-o239  [ doi:10.1107/S0108270112021348 ]

Aripiprazole salts. II. Aripiprazole perchlorate

E. Freire, G. Polla and R. Baggio

Formula: C23H28Cl2N3O2+·ClO4-

Online 18 May 2012


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Acta Cryst. (2012). C68, o240-o246  [ doi:10.1107/S0108270112019622 ]

Two dibenzodiazepinone molecules with dissimilar dimeric associations and apparent different tautomeric forms

M. Keller, M. M. Bhadbhade and R. W. Read

Formula: C13H10N2O and C26H29N5O2·C2H6O

Online 19 May 2012


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