Crystallography Open Database

Information card for entry 4085585

Preview

Coordinates	4085585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H40 N2 O2 Os P2
Calculated formula	C45 H40 N2 O2 Os P2
SMILES	[Os]123([P](C=C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]=C(C)C=C(O2)C)=C1N(C)c2c(N1c1c3cccc1)cccc2
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	10.0601 ± 0.0004 Å
b	18.5522 ± 0.0008 Å
c	19.7318 ± 0.0009 Å
α	90°
β	90.411 ± 0.001°
γ	90°
Cell volume	3682.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0449
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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.	4085585.cif
132736	2015-03-04	cif/ Adding structures of 4085581, 4085582, 4085583, 4085584, 4085585, 4085586 via cif-deposit CGI script.	4085585.cif