Crystallography Open Database

Information card for entry 4075405

Preview

Coordinates	4075405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H46 B4 Cl Gd O3 Si2
Calculated formula	C20 H46 B4 Cl Gd O3 Si2
Title of publication	Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry
Authors of publication	Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	17
Pages of publication	4118
a	15.946 ± 0.004 Å
b	11.442 ± 0.003 Å
c	16.99 ± 0.004 Å
α	90°
β	108.977 ± 0.004°
γ	90°
Cell volume	2931.4 ± 1.3 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	7
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	0.0429
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.0861
Goodness-of-fit parameter for all reflections included in the refinement	1.523
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178643 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/54.	4075405.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075405.cif
49229	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075402, 4075403, 4075404, 4075405, 4075406, 4075407, 4075408, 4075409, 4075410, 4075411, 4075412, 4075413, 4075414, 4075415, 4075416, 4075417, 4075418, 4075419 via cif-deposit CGI script.	4075405.cif