Crystallography Open Database

Information card for entry 4349365

Preview

Coordinates	4349365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H39 Cl F6 O7 Os P2 S2
Calculated formula	C26 H39 Cl F6 O7 Os P2 S2
SMILES	[OsH4]12(Cl)[P](c3c4[O]2c2c(c4ccc3)cccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)(O)C(F)(F)F
Title of publication	mer, fac, and Bidentate Coordination of an Alkyl-POP Ligand in the Chemistry of Nonclassical Osmium Hydrides.
Authors of publication	Esteruelas, Miguel A.; García-Yebra, Cristina; Martín, Jaime; Oñate, Enrique
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	1
Pages of publication	676 - 683
a	16.2471 ± 0.001 Å
b	21.4146 ± 0.0013 Å
c	10.2694 ± 0.0006 Å
α	90°
β	104.662 ± 0.001°
γ	90°
Cell volume	3456.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0536
Weighted residual factors for all reflections included in the refinement	0.0555
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
233900 (current)	2019-11-23	cif/ Adding structures of 4349363, 4349364, 4349365, 4349366 via cif-deposit CGI script.	4349365.cif