Crystallography Open Database

Information card for entry 4322255

Preview

Coordinates	4322255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H64 Cl2 N8 Ni2 O12 S4
Calculated formula	C39 H64 Cl2 N8 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	10.764 ± 0.002 Å
b	11.242 ± 0.002 Å
c	23.776 ± 0.005 Å
α	93.19 ± 0.03°
β	95.28 ± 0.03°
γ	113.15 ± 0.03°
Cell volume	2620.9 ± 1.1 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1032
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1808
Weighted residual factors for all reflections included in the refinement	0.196
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
179325 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/22.	4322255.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322255.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322255.cif
20526	2011-06-11	../uploads/cif-deposit/cod/cif Adding structures of 4322255 via cif-deposit CGI script.	4322255.cif