Crystallography Open Database

Information card for entry 8102285

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Coordinates	8102285.cif

Structure parameters

Formula	C12 H13 N2 Ni O8
Calculated formula	C12 H13 N2 Ni O8
Title of publication	Crystal structure of poly-aqua[(pyridine-2,6-dicarboxylic acid N-oxide) (4,4'-bipyridine)nickel(II) dihydrate, (Ni(C7H3NO5)(C10N2H8)0.5(H2O)) · 2H2O
Authors of publication	Chun-Sheng Zhou; Guo-Chun Zhang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	2
Pages of publication	175
a	7.5793 ± 0.001 Å
b	10.4791 ± 0.0013 Å
c	11.0258 ± 0.0014 Å
α	109.295 ± 0.002°
β	107.267 ± 0.002°
γ	104.026 ± 0.002°
Cell volume	730.8 ± 0.16 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0293
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102285.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102285.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102285.cif
13024	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102285 via cif-deposit CGI script.	8102285.cif