Crystallography Open Database

Information card for entry 4129736

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Coordinates	4129736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H42 Ni O2 P2 Si
Calculated formula	C30 H42 Ni O2 P2 Si
SMILES	c12c3cccc1O[P](C(C)C)(C(C)C)[Ni]2([P](C(C)C)(C(C)C)O3)[SiH](c1ccccc1)c1ccccc1
Title of publication	Reactions of Phenylhydrosilanes with Pincer-Nickel Complexes: Evidence for New Si-O and Si-C Bond Formation Pathways.
Authors of publication	Hao, Jingjun; Vabre, Boris; Zargarian, Davit
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	48
Pages of publication	15287 - 15298
a	11.832 ± 0.0001 Å
b	20.1684 ± 0.0002 Å
c	25.0196 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5970.49 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0305
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
240403 (current)	2019-11-25	cif/ Adding structures of 4129735, 4129736, 4129737 via cif-deposit CGI script.	4129736.cif