Crystallography Open Database

Information card for entry 4347821

Preview

Coordinates	4347821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H60 Cl N2 Os P
Calculated formula	C36 H60 Cl N2 Os P
SMILES	[OsH3]([P](C(C)C)(C(C)C)C(C)C)(Cl)=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C
Title of publication	An Entry to Stable Mixed Phosphine-Osmium-NHC Polyhydrides.
Authors of publication	Buil, María L; Cardo, Juan J. F.; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	10
Pages of publication	5062 - 5070
a	12.8306 ± 0.0007 Å
b	14.7159 ± 0.0008 Å
c	20.368 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3845.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0427
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
232523 (current)	2019-11-23	cif/ Adding structures of 4347821, 4347822, 4347823 via cif-deposit CGI script.	4347821.cif