Crystallography Open Database

Information card for entry 4301629

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Coordinates	4301629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H76 Ni2 P2 S2
Calculated formula	C66 H76 Ni2 P2 S2
SMILES	[P](c1ccccc1)(c1ccccc1)(c1ccccc1)[Ni]12[S](c3c(cc(cc3C(C)C)C(C)C)C(C)C)[Ni]2([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]1c1c(cc(cc1C(C)C)C(C)C)C(C)C
Title of publication	Synthesis and Reactions of Mono- and Dinuclear Ni(I) Thiolate Complexes
Authors of publication	Mikinao Ito; Tsuyoshi Matsumoto; Kazuyuki Tatsumi
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	2215 - 2223
a	11.896 ± 0.003 Å
b	25.328 ± 0.006 Å
c	9.995 ± 0.003 Å
α	90°
β	109.086 ± 0.003°
γ	90°
Cell volume	2846 ± 1.3 Å³
Cell temperature	173.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for all reflections included in the refinement	0.1357
Goodness-of-fit parameter for all reflections included in the refinement	1.158
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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