Crystallography Open Database

Information card for entry 4337504

Preview

Coordinates	4337504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H74 F24 N8 O P4 Ru2 S4
Calculated formula	C83 H74 F24 N8 O P4 Ru2 S4
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	18.8314 ± 0.0017 Å
b	21.5487 ± 0.0017 Å
c	21.0387 ± 0.0018 Å
α	90°
β	90.317 ± 0.002°
γ	90°
Cell volume	8537.2 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	4337504.cif
106426	2014-03-15	cif/ Adding structures of 4337504, 4337505, 4337506, 4337507, 4337508 via cif-deposit CGI script.	4337504.cif