Crystallography Open Database

Information card for entry 4347173

Preview

Coordinates	4347173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H29.25 F6 N6 O1.13 P Ru
Calculated formula	C37 H29 F6 N6 O1.0645 P Ru
Title of publication	Probing the Noninnocent π-Bonding Influence of N-Carboxyamidoquinolate Ligands on the Light Harvesting and Redox Properties of Ruthenium Polypyridyl Complexes.
Authors of publication	Ngo, Ken T.; Lee, Nicholas A.; Pinnace, Sashari D.; Szalda, David J.; Weber, Ralph T.; Rochford, Jonathan
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	5
Pages of publication	2460 - 2472
a	17.2405 ± 0.0006 Å
b	13.6787 ± 0.0005 Å
c	29.3293 ± 0.0011 Å
α	90°
β	93.462 ± 0.001°
γ	90°
Cell volume	6904 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
232203 (current)	2019-11-23	cif/ Adding structures of 4347173 via cif-deposit CGI script.	4347173.cif