Crystallography Open Database

Information card for entry 4348846

Preview

Coordinates	4348846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H64 I2 N2 Si2
Calculated formula	C40 H64 I2 N2 Si2
SMILES	[Si]([Si](=C1C(CC(C)(C)N1c1c(C(C)C)cccc1C(C)C)(C)C)I)(=C1C(CC(C)(C)N1c1c(C(C)C)cccc1C(C)C)(C)C)I
Title of publication	Synthesis of a Bent 2-Silaallene with a Perturbed Electronic Structure from a Cyclic Alkyl(amino) Carbene-Diiodosilylene.
Authors of publication	Li, Yan; Chan, Yuk-Chi; Li, Yongxin; Purushothaman, Indu; De, Susmita; Parameswaran, Pattiyil; So, Cheuk-Wai
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	17
Pages of publication	9091 - 9098
a	15.9335 ± 0.0004 Å
b	14.2589 ± 0.0003 Å
c	18.5741 ± 0.0005 Å
α	90°
β	93.9117 ± 0.0011°
γ	90°
Cell volume	4210.1 ± 0.18 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0774
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
233423 (current)	2019-11-23	cif/ Adding structures of 4348842, 4348843, 4348844, 4348845, 4348846 via cif-deposit CGI script.	4348846.cif