Crystallography Open Database

Information card for entry 4334607

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Structure parameters

Formula	C32 H25 F12 N7 P2 Ru
Calculated formula	C32 H25 F12 N7 P2 Ru
SMILES	[Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccc(cc1c1[n]3ccc(c1)C)C#N.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Improving the Photosensitizing Properties of Ruthenium Polypyridyl Complexes Using 4-Methyl-2,2'-bipyridine-4'-carbonitrile as an Auxiliary Ligand
Authors of publication	Juan H. Mecchia Ortiz; Nadia Vega; David Comedi; Mónica Tirado; Isabel Romero; Xavier Fontrodona; Teodor Parella; F. Eduardo Morán Vieyra; Claudio D. Borsarelli; Néstor E. Katz
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4950 - 4962
a	11.023 ± 0.002 Å
b	12.207 ± 0.003 Å
c	14.157 ± 0.003 Å
α	97.74 ± 0.004°
β	98.339 ± 0.004°
γ	105.093 ± 0.004°
Cell volume	1789.9 ± 0.7 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1067
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.1535
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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