Crystallography Open Database

Information card for entry 7704222

Preview

Coordinates	7704222.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Clip)OsCl2 . EtOAc
Chemical name	2,2'-biphenylenediamido-N,N'-bis(2-oxy-3,5-di-tertbutylphenyl)-dichloroosmium(VI) ethyl acetate solvate
Formula	C44 H56 Cl2 N2 O4 Os
Calculated formula	C44 H56 Cl2 N2 O4 Os
Title of publication	Highly covalent metal-ligand π bonding in chelated bis- and tris(iminoxolene) complexes of osmium and ruthenium.
Authors of publication	Gianino, Jacqueline; Brown, Seth N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	21
Pages of publication	7015 - 7027
a	11.5267 ± 0.0006 Å
b	10.329 ± 0.0005 Å
c	36.2615 ± 0.0019 Å
α	90°
β	98.4471 ± 0.0018°
γ	90°
Cell volume	4270.4 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0416
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0557
Weighted residual factors for all reflections included in the refinement	0.0605
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
252835 (current)	2020-06-05	cif/ Updating files of 7704222, 7704223, 7704224, 7704225 Original log message: Adding full bibliography for 7704222--7704225.cif.	7704222.cif
251297	2020-04-30	cif/ Adding structures of 7704222, 7704223, 7704224, 7704225 via cif-deposit CGI script.	7704222.cif