Crystallography Open Database

Information card for entry 4080676

Preview

Coordinates	4080676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H53 Cl Os P2
Calculated formula	C23 H53 Cl Os P2
SMILES	[OsH2](Cl)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)C(=C(C)C)C
Title of publication	Hydroosmiation of Allenes and Reductive Elimination of Olefin in Unsaturated Osmium(IV) Polyhydrides: Hydride versus Chloride
Authors of publication	Esteruelas, Miguel A.; Larramona, Carmen; Oñate, Enrique
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	9
Pages of publication	2567
a	13.6944 ± 0.0012 Å
b	8.5307 ± 0.0008 Å
c	23.958 ± 0.002 Å
α	90°
β	96.831 ± 0.001°
γ	90°
Cell volume	2779 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0479
Weighted residual factors for all reflections included in the refinement	0.0507
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
178695 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/06.	4080676.cif
87261	2013-07-14	cif/ Adding structures of 4080676, 4080677 via cif-deposit CGI script.	4080676.cif