Crystallography Open Database

Information card for entry 4109368

Preview

Coordinates	4109368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.5 H64 N P2 Re Si2
Calculated formula	C31.25 H58 N P2 Re Si2
Title of publication	Operationally Unsaturated Pincer/Rhenium Complexes Form Metal Carbenes from Cycloalkenes and Metal Carbynes from Alkanes
Authors of publication	Oleg V. Ozerov; Lori A. Watson; Maren Pink; Kenneth G. Caulton
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	6003 - 6016
a	11.3353 ± 0.0003 Å
b	18.1292 ± 0.0006 Å
c	18.4996 ± 0.0006 Å
α	103.686 ± 0.001°
β	103.877 ± 0.001°
γ	101.685 ± 0.001°
Cell volume	3447.78 ± 0.19 Å³
Cell temperature	111 ± 2 K
Ambient diffraction temperature	111 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0572
Weighted residual factors for all reflections included in the refinement	0.0653
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109368.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109368.cif
58134	2012-05-25	cif/ Adding structures of 4109368 via cif-deposit CGI script.	4109368.cif