Crystallography Open Database

Information card for entry 7717875

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Coordinates	7717875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C175 H207 N8 Ni4 S8
Calculated formula	C175 H207 N8 Ni4 S8
Title of publication	On the reactivity of complexes [Ni(NHC)<sub>2</sub>] with CS<sub>2</sub>.
Authors of publication	Luff, Martin Simon; Corsei, Celine Sophie; Radius, Udo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	9
Pages of publication	3750 - 3758
a	12.5344 ± 0.0002 Å
b	25.5188 ± 0.0002 Å
c	25.8877 ± 0.0002 Å
α	89.819 ± 0.001°
β	84.555 ± 0.001°
γ	77.098 ± 0.001°
Cell volume	8033.65 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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