Crystallography Open Database

Information card for entry 4347340

Preview

Coordinates	4347340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H41 Br3 Cl4 N O Os P2
Calculated formula	C52 H41 Br3 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	24.3136 ± 0.0011 Å
b	9.5495 ± 0.0004 Å
c	23.6568 ± 0.001 Å
α	90°
β	118.118 ± 0.001°
γ	90°
Cell volume	4844.4 ± 0.4 Å³
Cell temperature	114 ± 2 K
Ambient diffraction temperature	114 ± 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	0.0461
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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
232276 (current)	2019-11-23	cif/ Adding structures of 4347340 via cif-deposit CGI script.	4347340.cif