Crystallography Open Database

Information card for entry 4131788

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Coordinates	4131788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H54 Br N6 Si3 Zn
Calculated formula	C40 H54 Br N6 Si3 Zn
Title of publication	Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.
Authors of publication	Rauch, Michael; Parkin, Gerard
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	50
Pages of publication	18162 - 18165
a	11.149 ± 0.0004 Å
b	12.253 ± 0.0004 Å
c	17.8168 ± 0.0006 Å
α	79.2769 ± 0.0005°
β	75.4065 ± 0.0005°
γ	65.8128 ± 0.0005°
Cell volume	2139.15 ± 0.13 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0938
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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