Crystallography Open Database

Information card for entry 7003031

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Coordinates	7003031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H70 Cl Co2 N12 Nb O24
Calculated formula	C66 H48 Cl Co2 N12 Nb O24
Title of publication	Supramolecular motifs and solvatomorphism within the compounds [M(bpy)3]2[NbO(C2O4)3]Cl·nH2O (M = Fe2+, Co2+, Ni2+, Cu2+ and Zn2+; n = 11, 12). Syntheses, structures and magnetic properties
Authors of publication	Jurić, Marijana; Perić, Berislav; Brničević, Nevenka; Planinić, Pavica; Pajić, Damir; Zadro, Krešo; Giester, Gerald; Kaitner, Branko
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	6
Pages of publication	742 - 754
a	23.548 ± 0.003 Å
b	13.631 ± 0.001 Å
c	22.812 ± 0.002 Å
α	90°
β	101.04 ± 0.01°
γ	90°
Cell volume	7186.8 ± 1.3 Å³
Cell temperature	200 ± 3 K
Ambient diffraction temperature	200 ± 3 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0883
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1314
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
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
179734 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/30.	7003031.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003031.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003031.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7003031.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003031.cif