Crystallography Open Database

Information card for entry 4317768

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Coordinates	4317768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H24 I2 N2 Ni S2
Calculated formula	C10 H24 I2 N2 Ni S2
Title of publication	Unique Reactivity of a Tetradentate N2S2 Complex of Nickel: Intermediates in the Production of Sulfur Oxygenates
Authors of publication	Vincent E. Kaasjager; Elisabeth Bouwman; S. Gorter; Jan Reedijk; Craig A. Grapperhaus; Joseph H. Reibenspies; Jason J. Smee; Marcetta Y. Darensbourg; Agnes Derecskei-Kovacs; Lisa M. Thomson
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	1837 - 1844
a	8.865 ± 0.003 Å
b	14.419 ± 0.004 Å
c	14.389 ± 0.006 Å
α	90°
β	100.19 ± 0.03°
γ	90°
Cell volume	1810.3 ± 1.1 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 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	0.131
Residual factor for significantly intense reflections	0.037
Weighted residual factors for all reflections	0.062
Weighted residual factors for significantly intense reflections	0.044
Goodness-of-fit parameter for all reflections	1.092
Goodness-of-fit parameter for significantly intense reflections	1.26
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4317768.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317768.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317768.cif
14049	2011-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4317768 via cif-deposit CGI script.	4317768.cif