Crystallography Open Database

Information card for entry 4088414

Preview

Coordinates	4088414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H37 Cl3 Ni6 S12
Calculated formula	C19 H37 Cl3 Ni6 S12
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	19.9835 ± 0.001 Å
b	10.0573 ± 0.0005 Å
c	18.4519 ± 0.0008 Å
α	90°
β	108.539 ± 0.0016°
γ	90°
Cell volume	3516 ± 0.3 Å³
Cell temperature	102 ± 2 K
Ambient diffraction temperature	102.28 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 all reflections	0.0312
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.031
Weighted residual factors for all reflections included in the refinement	0.0328
Goodness-of-fit parameter for all reflections included in the refinement	0.962
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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