Crystallography Open Database

Information card for entry 4322254

Preview

Coordinates	4322254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H35 Cl2 N4 Ni2 O12 S4
Calculated formula	C29 H35 Cl2 N4 Ni2 O12 S4
Title of publication	Coordination and Conversion of Urea at Dinuclear μ-Acetato Nickel(II) Complexes with Symmetric and Asymmetric Cores
Authors of publication	Matthias Konrad; Franc Meyer; Albrecht Jacobi; Peter Kircher; Peter Rutsch; Laszlo Zsolnai
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	4559 - 4566
a	25.027 ± 0.004 Å
b	11.593 ± 0.002 Å
c	14.556 ± 0.002 Å
α	90°
β	95.82 ± 0.01°
γ	90°
Cell volume	4201.5 ± 1.1 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1218
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.2181
Weighted residual factors for all reflections included in the refinement	0.241
Goodness-of-fit parameter for all reflections included in the refinement	1.204
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4322254.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322254.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322254.cif
20525	2011-06-11	../uploads/cif-deposit/cod/cif Adding structures of 4322254 via cif-deposit CGI script.	4322254.cif