Crystallography Open Database

Information card for entry 4131786

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Coordinates	4131786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H58 Mg N6 O2 Si3
Calculated formula	C44 H58 Mg N6 O2 Si3
SMILES	C1([Si](C)(c2[n]3c4ccccc4n2C(C)C)C)([Si](C)(C)c2[n]([Mg]1345OC=[O]4)c1ccccc1n2C(C)C)[Si](C)(C)c1[n]5c2ccccc2n1C(C)C.c1ccccc1
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	9.4147 ± 0.0004 Å
b	18.9452 ± 0.0008 Å
c	12.4092 ± 0.0005 Å
α	90°
β	100.67 ± 0.0006°
γ	90°
Cell volume	2175.08 ± 0.16 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
241938 (current)	2019-11-25	cif/ Adding structures of 4131786 via cif-deposit CGI script.	4131786.cif