Crystallography Open Database

Information card for entry 7110470

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Structure parameters

Formula	C32 H24 N4 Ni2 O2.8 S4
Calculated formula	C32 H24 N4 Ni2 O2.8 S4
Title of publication	Isolation and crystal structure of a novel dinuclear nickel(II) O-bound sulfinate from the oxidation of 2,2′-bipyridine-1,2-benzenedithiolatonickel(II)
Authors of publication	Matthew Cocker, T.; Bachman, Robert E.
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	10
Pages of publication	875
a	11.5407 ± 0.0003 Å
b	16.9821 ± 0.0004 Å
c	16.7013 ± 0.0004 Å
α	90°
β	106.988 ± 0.001°
γ	90°
Cell volume	3130.39 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1523
Residual factor for significantly intense reflections	0.0786
Weighted residual factors for significantly intense reflections	0.1788
Weighted residual factors for all reflections included in the refinement	0.21
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7110470.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7110470.cif
95228	2014-01-28	cif/ Adding structures of 7110470, 7110471 via cif-deposit CGI script.	7110470.cif