Crystallography Open Database

Information card for entry 4347339

Preview

Coordinates	4347339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H42 Br2 Cl4 N O Os P2
Calculated formula	C52 H42 Br2 Cl4 N O Os P2
Title of publication	Radical and Non-Radical States of the [Os(PIQ)] Core (PIQ = 9,10-Phenanthreneiminoquinone): Iminosemiquinone to Iminoquinone Conversion Promoted o-Metalation Reaction.
Authors of publication	Bera, Sachinath; Mondal, Sandip; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	10
Pages of publication	4746 - 4756
a	12.08 ± 0.002 Å
b	18.586 ± 0.003 Å
c	21.058 ± 0.004 Å
α	90°
β	96.676 ± 0.003°
γ	90°
Cell volume	4695.9 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
232275 (current)	2019-11-23	cif/ Adding structures of 4347339 via cif-deposit CGI script.	4347339.cif