Crystallography Open Database

Information card for entry 4110551

Preview

Coordinates	4110551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H29 F3 N O5 Os P S
Calculated formula	C21 H26.25 F3 N O5 Os P S
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	18.377 ± 0.002 Å
b	15.1715 ± 0.0017 Å
c	36.589 ± 0.004 Å
α	90°
β	103.695 ± 0.002°
γ	90°
Cell volume	9911.2 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.0584
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	0.865
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
178876 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/05.	4110551.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110551.cif
59350	2012-06-05	cif/ Adding structures of 4110551 via cif-deposit CGI script.	4110551.cif