Crystallography Open Database

Information card for entry 4106266

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Structure parameters

Formula	C58 H88 B2 N4 O2 Si
Calculated formula	C58 H88 B2 N4 O2 Si
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	20.195 ± 0.006 Å
b	12.59 ± 0.004 Å
c	22.879 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	5817 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0892
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1162
Weighted residual factors for all reflections included in the refinement	0.1357
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4106266.cif
178808	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.	4106266.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106266.cif
53064	2012-04-17	cif/ Adding structures of 4106266 via cif-deposit CGI script.	4106266.cif