Crystallography Open Database

Information card for entry 8106930

Preview

Coordinates	8106930.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-chloro-1,3-bis(2,4,6-trimethylphenyl)-4,4-dimethyl-1,3,2λ^3^,4-\ diazaphosphasiletidine
Formula	C19.88 H27.64 Cl1.12 N2 P Si
Calculated formula	C19.879 H27.637 Cl1.121 N2 P Si
Title of publication	The crystal structure of 2-chloro-1,3-bis(2,4,6-trimethylphenyl)-4,4-dimethyl-1,3,2λ3,4-diazaphosphasiletidine
Authors of publication	Breuers, Verena; Frank, Walter
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	2
Pages of publication	529 - 532
a	16.811 ± 0.003 Å
b	14.357 ± 0.003 Å
c	17.523 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4229.3 ± 1.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281842 (current)	2023-03-13	cif/ Adding structures of 8106930 via cif-deposit CGI script.	8106930.cif