Crystallography Open Database

Information card for entry 4323972

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Structure parameters

Formula	C50 H52 Ni P4
Calculated formula	C50 H52 Ni P4
SMILES	[Ni]12([P](CC(C[P]1(c1ccccc1)c1ccccc1)(C)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[PH2]c1c(cc(cc1C)C)C
Title of publication	Metal Complexes of Mesitylphosphine: Synthesis, Structure, and Spectroscopy
Authors of publication	Igor V. Kourkine; Stanislav V. Maslennikov; Robert Ditchfield; David S. Glueck; Glenn P. A. Yap; Louise M. Liable-Sands; Arnold L. Rheingold
Journal of publication	Inorganic Chemistry
Year of publication	1996
Journal volume	35
Pages of publication	6708 - 6716
a	9.587 ± 0.001 Å
b	11.528 ± 0.001 Å
c	22.194 ± 0.002 Å
α	102.315 ± 0.007°
β	90.921 ± 0.009°
γ	114.15 ± 0.01°
Cell volume	2171.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0558
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for all reflections	0.1121
Weighted residual factors for significantly intense reflections	0.1075
Goodness-of-fit parameter for all reflections	1.204
Goodness-of-fit parameter for significantly intense reflections	1.318
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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