Crystallography Open Database

Information card for entry 4128486

Preview

Coordinates	4128486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H68 N6 Ni Si2
Calculated formula	C37 H68 N6 Ni Si2
SMILES	[Ni](=[Si](N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)N)(=C1N(C(=C(N1C(C)C)C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C
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	18.5126 ± 0.0004 Å
b	11.665 ± 0.0002 Å
c	20.9368 ± 0.0004 Å
α	90°
β	113.769 ± 0.002°
γ	90°
Cell volume	4137.79 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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.	4128486.cif