Crystallography Open Database

Information card for entry 4089168

Preview

Coordinates	4089168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H70 N4 Os P2
Calculated formula	C82 H70 N4 Os P2
SMILES	[Os]123([P](c4ccccc4)(c4ccccc4)c4ccccc4[P]1(c1ccccc1)c1ccccc1)(=C1N(C)c4ccccc4N1c1c2cccc1)=C1N(C)c2ccccc2N1c1c3cccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
Title of publication	Osmium(II) Complexes Containing a Dianionic CCCC-Donor Tetradentate Ligand
Authors of publication	Alabau, Roberto G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Palacios, Adrián U.; Tsai, Jui-Yi; Xia, Chuanjun
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	23
Pages of publication	3981
a	12.5444 ± 0.0009 Å
b	14.9861 ± 0.0011 Å
c	18.259 ± 0.0014 Å
α	72.482 ± 0.001°
β	83.013 ± 0.001°
γ	78.546 ± 0.001°
Cell volume	3201.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
238011 (current)	2019-11-24	cif/ Adding structures of 4089163, 4089164, 4089165, 4089166, 4089167, 4089168 via cif-deposit CGI script.	4089168.cif