Crystallography Open Database

Information card for entry 7017904

Preview

Coordinates	7017904.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Ni(C4N3H13)2)3(V15Sb6O42(H2O))(H2O)8
Formula	C24 H96 N18 Ni3 O51 Sb6 V15
Calculated formula	C24 H78 N18 Ni3 O46 Sb6 V15
SMILES	C1C[NH]2CC[NH2][Ni]342([NH2]1)[NH2]CC[NH]3CC[NH2]4.[O]12[V]34(=O)[O]5[V]67(=O)[O]8[Sb]9O[Sb]%10[O]%11[V]1([O]39)(=O)[O]1[V]32(=O)[O]2[V]9%12(=O)[O]%13[V]%14%15(=O)[O]%16[V]%17%18(=O)[O]%14[V]%14(=O)([O]6[V]65(=O)[O]4[Sb]4O[Sb]([O]6%14)[O]%15[V]2%13([O]34)=O)[O]%17[V]23(=O)[O]7[V]78(=O)[O]%10[V]4(=O)([O]27)[O]2[V]%111(=O)[O]9[V]12(=O)[O]%12[Sb]%16O[Sb]([O]3%18)[O]41.O.O.C1C[NH]2CC[NH2][Ni]342([NH2]1)[NH2]CC[NH]3CC[NH2]4.C1C[NH]2CC[NH2][Ni]342([NH2]1)[NH2]CC[NH]3CC[NH2]4.O.O
Title of publication	Antimonato polyoxovanadates with structure directing transition metal complexes: pseudopolymorphic {Ni(dien)2}3[V15Sb6O42(H2O)]·nH2O compounds and {Ni(dien)2}4[V16Sb4O42(H2O)].
Authors of publication	Antonova, Elena; Näther, Christian; Bensch, Wolfgang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	4
Pages of publication	1338 - 1344
a	23.0517 ± 0.0004 Å
b	23.0517 ± 0.0004 Å
c	28.6216 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	13171.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.155
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179883 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/79.	7017904.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017904.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017904.cif
33456	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7017903, 7017904, 7017905 via cif-deposit CGI script.	7017904.cif