Crystallography Open Database

Information card for entry 4347341

Preview

Coordinates	4347341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H39 Br N O2 Os P2
Calculated formula	C51 H39 Br N O2 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	23.82 ± 0.003 Å
b	11.711 ± 0.002 Å
c	18.232 ± 0.002 Å
α	90°
β	117.499 ± 0.003°
γ	90°
Cell volume	4511.3 ± 1.1 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
232277 (current)	2019-11-23	cif/ Adding structures of 4347341 via cif-deposit CGI script.	4347341.cif