Crystallography Open Database

Information card for entry 4128491

Preview

Coordinates	4128491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H98 As N7 Ni2 O Si2
Calculated formula	C52 H98 As N7 Ni2 O Si2
SMILES	[As]12[Ni]3([Ni]1([H]3)([SiH]2N([Si](C)(C)C)c1c(C(C)C)cccc1C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C)(=C1N(C(C)C)C(=C(N1C(C)C)C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C.O(CC)CC
Title of publication	Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.
Authors of publication	Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	7
Pages of publication	3304 - 3314
a	12.4971 ± 0.0004 Å
b	13.6791 ± 0.0004 Å
c	18.6705 ± 0.0006 Å
α	75.272 ± 0.003°
β	76.225 ± 0.003°
γ	80.498 ± 0.003°
Cell volume	2979.43 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
221579 (current)	2019-11-03	cif/ Adding structures of 4128483, 4128484, 4128485, 4128486, 4128487, 4128488, 4128489, 4128490, 4128491, 4128492, 4128493, 4128494, 4128495 via cif-deposit CGI script.	4128491.cif