Crystallography Open Database

Information card for entry 4128485

Preview

Coordinates	4128485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H69 As Cl N5 Ni Si2
Calculated formula	C37 H69 As Cl N5 Ni Si2
SMILES	[AsH]([Ni](Cl)(=C1N(C(=C(N1C(C)C)C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C)[SiH2]N([Si](C)(C)C)c1c(cccc1C(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	30.2685 ± 0.0005 Å
b	9.9287 ± 0.0002 Å
c	30.4291 ± 0.0007 Å
α	90°
β	101.039 ± 0.002°
γ	90°
Cell volume	8975.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.089
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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.	4128485.cif