Crystallography Open Database

Information card for entry 4129735

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Coordinates	4129735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H38 Ni O2 P2 Si
Calculated formula	C24 H38 Ni O2 P2 Si
SMILES	[Ni]12([P](Oc3c2c(ccc3)O[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)[SiH2]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	10.8153 ± 0.0002 Å
b	15.1273 ± 0.0003 Å
c	16.7307 ± 0.0003 Å
α	85.503 ± 0.001°
β	89.664 ± 0.001°
γ	74.894 ± 0.001°
Cell volume	2634.23 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0273
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0748
Weighted residual factors for all reflections included in the refinement	0.0754
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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.	4129735.cif