Crystallography Open Database

Information card for entry 7052718

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Structure parameters

Formula	C30 H37 Cl F6 N3 O2 P Ru S2
Calculated formula	C30 H37 Cl F6 N3 O2 P Ru S2
Title of publication	Synthesis and photochromic studies of η6-mesitylene ruthenium(ii) complexes bearing N-heterocyclic carbene ligands with the dithienylethene moiety
Authors of publication	Duan, Gongping; Wong, Wing-Tak; Yam, Vivian Wing-Wah
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	10
Pages of publication	2267
a	17.267 ± 0.003 Å
b	14.598 ± 0.002 Å
c	31.643 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	7976 ± 2 Å³
Cell temperature	305 ± 2 K
Ambient diffraction temperature	305 ± 2 K
Number of distinct elements	9
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1467
Residual factor for significantly intense reflections	0.0994
Weighted residual factors for significantly intense reflections	0.2443
Weighted residual factors for all reflections included in the refinement	0.2715
Goodness-of-fit parameter for all reflections included in the refinement	1.135
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
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7052718.cif
180081	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/27.	7052718.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052718.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052718.cif
28135	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7052718, 7052719 via cif-deposit CGI script.	7052718.cif