Crystallography Open Database

Information card for entry 4088408

Preview

Coordinates	4088408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 Ni4 S4
Calculated formula	C26 H32 Ni4 S4
Title of publication	Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2
Authors of publication	Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	5
Pages of publication	836
a	10.149 ± 0.005 Å
b	12.274 ± 0.006 Å
c	12.417 ± 0.006 Å
α	110.675 ± 0.006°
β	97.652 ± 0.007°
γ	103.3 ± 0.006°
Cell volume	1368.7 ± 1.2 Å³
Cell temperature	181 ± 2 K
Ambient diffraction temperature	181.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.102
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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