Crystallography Open Database

Information card for entry 4120089

4120088 << 4120089 >> 4120090

Preview

Coordinates	4120089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H60 Si
Calculated formula	C49.985 H59.965 Si
Title of publication	Dibenzosilanorbornadienyl Cations and Their Fragmentation into Silyliumylidenes
Authors of publication	Claudia Gerdes; Wolfgang Saak; Detlev Haase; Thomas Müller
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	10353 - 10361
a	10.0144 ± 0.0002 Å
b	19.9962 ± 0.0004 Å
c	20.9918 ± 0.0004 Å
α	88.654 ± 0.001°
β	81.718 ± 0.001°
γ	89.576 ± 0.001°
Cell volume	4158.59 ± 0.14 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1012
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1297
Weighted residual factors for all reflections included in the refinement	0.1541
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
178977 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/00.	4120089.cif
105638	2014-03-12	cif/ Adding structures of 4120089 via cif-deposit CGI script.	4120089.cif