Crystallography Open Database

Information card for entry 4106265

Preview

Coordinates	4106265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H192 B8 N8 O3 Si4
Calculated formula	C120 H192 B8 N8 O3 Si4
Title of publication	Cleavage of Carbene-Stabilized Disilicon
Authors of publication	Mariham Y. Abraham; Yuzhong Wang; Yaoming Xie; Pingrong Wei; Henry F. Schaefer; Paul V. R. Schleyer; Gregory H. Robinson
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	8874 - 8876
a	13.9722 ± 0.0016 Å
b	22.691 ± 0.003 Å
c	21.08 ± 0.002 Å
α	90°
β	95.694 ± 0.002°
γ	90°
Cell volume	6650.3 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.1967
Residual factor for significantly intense reflections	0.0871
Weighted residual factors for significantly intense reflections	0.2098
Weighted residual factors for all reflections included in the refinement	0.2604
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
178808 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/62.	4106265.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106265.cif
53063	2012-04-17	cif/ Adding structures of 4106265 via cif-deposit CGI script.	4106265.cif