Crystallography Open Database

Information card for entry 8103243

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Coordinates	8103243.cif

Structure parameters

Formula	C25 H18 N2 Ni O8
Calculated formula	C25 H18 N2 Ni O8
Title of publication	Crystal structure of catena-aqua(2,2'-bipyridine)-(3-(4-carboxyphenoxy)phthalato)nickel(II), Ni(H2O)(C10H8N2)(C15H8O7)
Authors of publication	Xiao-Dong Li; Kun Wang; Feng-Feng Guo
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	573
a	9.9298 ± 0.0007 Å
b	18.0293 ± 0.0013 Å
c	24.5124 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	4388.4 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0642
Weighted residual factors for all reflections included in the refinement	0.0691
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	8103243.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.	8103243.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103243.cif
32585	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103243 via cif-deposit CGI script.	8103243.cif