Crystallography Open Database

Information card for entry 4337505

Preview

Coordinates	4337505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.68 H32.02 F12 N7.34 O4.01 P2 Ru S2
Calculated formula	C40.68 H32.02 F12 N7.36 O4.04 P2 Ru S2
Title of publication	Ruthenium bis-diimine complexes with a chelating thioether ligand: delineating 1,10-phenanthrolinyl and 2,2'-bipyridyl ligand substituent effects.
Authors of publication	Al-Rawashdeh, Nathir A F; Chatterjee, Sayandev; Krause, Jeanette A.; Connick, William B.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	1
Pages of publication	294 - 307
a	25.961 ± 0.002 Å
b	9.2613 ± 0.0008 Å
c	19.6949 ± 0.0016 Å
α	90°
β	100.194 ± 0.002°
γ	90°
Cell volume	4660.5 ± 0.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0654
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1704
Weighted residual factors for all reflections included in the refinement	0.1721
Goodness-of-fit parameter for all reflections included in the refinement	1.207
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179478 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/75.	4337505.cif
106426	2014-03-15	cif/ Adding structures of 4337504, 4337505, 4337506, 4337507, 4337508 via cif-deposit CGI script.	4337505.cif