Crystallography Open Database

Information card for entry 4070844

Preview

Coordinates	4070844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H62 N2 Os P2
Calculated formula	C31 H62 N2 Os P2
SMILES	[OsH4]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)c1[n+](cn(c1)c1c(C)cc(C)cc1C)C
Title of publication	Abnormal and Normal N-Heterocyclic Carbene Osmium Polyhydride Complexes Obtained by Direct Metalation of Imidazolium Salts
Authors of publication	Eguillor, Beatriz; Esteruelas, Miguel A.; Oliván, Montserrat; Puerta, Marta
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	3
Pages of publication	445
a	11.396 ± 0.005 Å
b	13.801 ± 0.006 Å
c	21.64 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	3403 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1171
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	0.856
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
178597 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/08.	4070844.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070844.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070844.cif
42750	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070843, 4070844 via cif-deposit CGI script.	4070844.cif