Crystallography Open Database

Information card for entry 4070843

Preview

Coordinates	4070843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H83 B N2 Os P2
Calculated formula	C55 H83 B N2 Os P2
SMILES	[OsH5]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)c1c[n+](cn1C)c1c(C)cc(C)cc1C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
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	13.467 ± 0.003 Å
b	13.713 ± 0.003 Å
c	14.322 ± 0.003 Å
α	90°
β	101.286 ± 0.003°
γ	90°
Cell volume	2593.7 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0564
Weighted residual factors for all reflections included in the refinement	0.0573
Goodness-of-fit parameter for all reflections included in the refinement	0.931
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.	4070843.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070843.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070843.cif
42750	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070843, 4070844 via cif-deposit CGI script.	4070843.cif