Crystallography Open Database

Information card for entry 4347823

Preview

Coordinates	4347823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H66 N3 Os P
Calculated formula	C43 H66 N3 Os P
SMILES	[OsH3]1([P](C(C)C)(C(C)C)C(C)C)([NH]=Cc2c1cccc2)=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	10.8632 ± 0.0019 Å
b	20.893 ± 0.004 Å
c	18.388 ± 0.003 Å
α	90°
β	92.917 ± 0.003°
γ	90°
Cell volume	4168 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0484
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	4347823.cif