Crystallography Open Database

Information card for entry 4105701

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Coordinates	4105701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H36 Cl6 Ni O8 P2 S2
Calculated formula	C32 H36 Cl6 Ni O8 P2 S2
Title of publication	Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands
Authors of publication	Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	3023 - 3033
a	26.9346 ± 0.0006 Å
b	13.136 ± 0.0003 Å
c	25.7007 ± 0.0008 Å
α	90°
β	117.767 ± 0.001°
γ	90°
Cell volume	8046.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0673
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1682
Weighted residual factors for all reflections included in the refinement	0.1752
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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