Crystallography Open Database

Information card for entry 4085586

Preview

Coordinates	4085586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H46 Cl2 N2 O2 Os P2
Calculated formula	C48 H46 Cl2 N2 O2 Os P2
SMILES	[Os]123([P](C=C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(OC(=CC(=[O]2)C)C)=C1N(c2c(N1C)cc(c(c2)C)C)c1c3cccc1.ClCCl
Title of publication	Osmium(II)‒Bis(dihydrogen) Complexes ContainingCaryl,CNHC‒Chelate Ligands: Preparation, Bonding Situation, and Acidity
Authors of publication	Bolaño, Tamara; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique; Palacios, Adrián; Tsai, Jui-Yi; Xia, Chuanjun
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	4
Pages of publication	778
a	10.6224 ± 0.0004 Å
b	11.0347 ± 0.0004 Å
c	19.3266 ± 0.0008 Å
α	90.15 ± 0.001°
β	101.198 ± 0.001°
γ	102.744 ± 0.001°
Cell volume	2165.05 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0288
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0559
Weighted residual factors for all reflections included in the refinement	0.0587
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
178744 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/55.	4085586.cif
132736	2015-03-04	cif/ Adding structures of 4085581, 4085582, 4085583, 4085584, 4085585, 4085586 via cif-deposit CGI script.	4085586.cif