Crystallography Open Database

Information card for entry 7038949

Preview

Coordinates	7038949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51.5 H40 Cl2 I3 N O2 P2 Ru
Calculated formula	C51.5 H40 Cl2 I3 N O2 P2 Ru
Title of publication	Radical non-radical states of the [Ru(PIQ)] core in complexes (PIQ = 9,10-phenanthreneiminoquinone).
Authors of publication	Bera, Sachinath; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	19
Pages of publication	8236 - 8247
a	22.047 ± 0.003 Å
b	10.5945 ± 0.0012 Å
c	41.837 ± 0.005 Å
α	90°
β	101.172 ± 0.008°
γ	90°
Cell volume	9587 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0557
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1329
Weighted residual factors for all reflections included in the refinement	0.1357
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185539 (current)	2016-08-07	cif/ Updating files of 7038948, 7038949, 7038950, 7038951, 7038952, 7038953 Original log message: Adding full bibliography for 7038948--7038953.cif.	7038949.cif
181839	2016-04-06	cif/ Adding structures of 7038948, 7038949, 7038950, 7038951, 7038952, 7038953 via cif-deposit CGI script.	7038949.cif