Crystallography Open Database

Information card for entry 4064937

Preview

Coordinates	4064937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H38 Cl N O Os P2
Calculated formula	C17 H38 Cl N O Os P2
SMILES	[OsH]12(Cl)([P](CC[NH]2CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)C#[O]
Title of publication	Osmium and Ruthenium Catalysts for Dehydrogenation of Alcohols
Authors of publication	Bertoli, Marcello; Choualeb, Aldjia; Lough, Alan J.; Moore, Brandon; Spasyuk, Denis; Gusev, Dmitry G.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	13
Pages of publication	3479
a	8.0971 ± 0.0003 Å
b	12.8336 ± 0.0008 Å
c	21.6709 ± 0.0012 Å
α	90°
β	95.956 ± 0.003°
γ	90°
Cell volume	2239.8 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.0804
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
178543 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/49.	4064937.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064937.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064937.cif
33103	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064937, 4064938, 4064939 via cif-deposit CGI script.	4064937.cif