Crystallography Open Database

Information card for entry 4348842

Preview

Coordinates	4348842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H31 I2 N Si
Calculated formula	C20 H31 I2 N Si
SMILES	C1(C(CC(C)(C)N1c1c(C(C)C)cccc1C(C)C)(C)C)=[Si](I)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	7.8467 ± 0.0003 Å
b	31.9117 ± 0.0013 Å
c	17.9901 ± 0.0008 Å
α	90°
β	92.6779 ± 0.0011°
γ	90°
Cell volume	4499.8 ± 0.3 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0764
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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.	4348842.cif