Crystallography Open Database

Information card for entry 7110471

Preview

Coordinates	7110471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H20 N4.5 Ni O6.5 S2
Calculated formula	C27.5 H20 N4.5 Ni O6.5 S2
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	9.3135 ± 0.0001 Å
b	12.5526 ± 0.0002 Å
c	12.7451 ± 0.0002 Å
α	96.017 ± 0.001°
β	101.887 ± 0.0003°
γ	110.076 ± 0.001°
Cell volume	1344.26 ± 0.04 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1254
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7110471.cif
95228	2014-01-28	cif/ Adding structures of 7110470, 7110471 via cif-deposit CGI script.	7110471.cif