Crystallography Open Database

Information card for entry 4109147

Preview

Coordinates	4109147.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Si3C-bicyclo[1.1.0]butane
Formula	C37 H86 Si7
Calculated formula	C37 H86 Si7
SMILES	[Si]12([Si]([Si]1([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)C2)[Si](C)(C(C)(C)C)C(C)(C)C
Title of publication	Interplay of EnE'3-nC Valence Isomers (E, E' = Si, Ge): Bicyclo[1.1.0]butanes with Very Short Bridging Bonds and Their Isomerization to Alkyl-Substituted Cyclopropenes
Authors of publication	Vladimir Ya. Lee; Hiroyuki Yasuda; Akira Sekiguchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	2436 - 2437
a	11.737 ± 0.0002 Å
b	17.826 ± 0.0006 Å
c	22.719 ± 0.0006 Å
α	90°
β	91.642 ± 0.002°
γ	90°
Cell volume	4751.4 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	3
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0381
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1024
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178837 (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 4/10/91.	4109147.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109147.cif
57901	2012-05-23	cif/ Adding structures of 4109147 via cif-deposit CGI script.	4109147.cif