Crystallography Open Database

Information card for entry 4110553

Preview

Coordinates	4110553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.5 H61 B Cl3 N2 Os P
Calculated formula	C52.5 H58 B Cl3 N2 Os P
Title of publication	C-H Bond Activation and Subsequent C-C Bond Formation Promoted by Osmium: 2-Vinylpyridine-Acetylene Couplings
Authors of publication	Miguel A. Esteruelas; Francisco J. Fernández-Alvarez; Montserrat Oliván; Enrique Oñate
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	4596 - 4597
a	11.4068 ± 0.0018 Å
b	14.961 ± 0.002 Å
c	15.509 ± 0.003 Å
α	91.093 ± 0.003°
β	108.341 ± 0.002°
γ	109.829 ± 0.003°
Cell volume	2339.7 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.0638
Goodness-of-fit parameter for all reflections included in the refinement	0.943
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
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.	4110553.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110553.cif
59352	2012-06-05	cif/ Adding structures of 4110553 via cif-deposit CGI script.	4110553.cif