Crystallography Open Database

Information card for entry 4130837

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Structure parameters

Formula	C40 H64 N2 Si2
Calculated formula	C40 H64 N2 Si2
SMILES	C1(C(CC(C)(C)N1c1c(C(C)C)cccc1C(C)C)(C)C)=[SiH][SiH]=C1C(CC(C)(C)N1c1c(cccc1C(C)C)C(C)C)(C)C
Title of publication	The Structure of the Carbene Stabilized Si2H2 May Be Equally Well Described with Coordinate Bonds as with Classical Double Bonds.
Authors of publication	Mohapatra, Chandrajeet; Kundu, Subrata; Paesch, Alexander N.; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	33
Pages of publication	10429 - 10432
a	9.229 ± 0.002 Å
b	10.253 ± 0.003 Å
c	11.671 ± 0.003 Å
α	89.69 ± 0.02°
β	77.64 ± 0.02°
γ	64.1 ± 0.03°
Cell volume	965.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301835 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure.	4130837.cif
241196	2019-11-25	cif/ Adding structures of 4130837 via cif-deposit CGI script.	4130837.cif