Crystallography Open Database

Information card for entry 4121296

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Structure parameters

Formula	C19 H40 N2 Si2
Calculated formula	C19 H40 N2 Si2
SMILES	[SiH]([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)=C1N(C(=C(N1C)C)C)C
Title of publication	A Dihydrodisilene Transition Metal Complex from an N-Heterocyclic Carbene-Stabilized Silylene Monohydride
Authors of publication	Shigeyoshi Inoue; Carsten Eisenhut
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	18315 - 18318
a	17.1712 ± 0.0004 Å
b	14.6439 ± 0.0003 Å
c	8.7281 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2194.71 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1109
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
301834 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure.	4121296.cif
179014	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/12.	4121296.cif
107492	2014-03-19	cif/ Adding structures of 4121296 via cif-deposit CGI script.	4121296.cif