Crystallography Open Database

Information card for entry 4328730

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Structure parameters

Formula	C38 H32 F12 N6 O4 P2 Ru
Calculated formula	C38 H32 F12 N6 O4 P2 Ru
SMILES	[Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)n1cccc2c1c1[n]3cccc1C2=C(C(=O)OCC)C(=O)OCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	New Dicarboxylic Acid Bipyridine Ligand for Ruthenium Polypyridyl Sensitization of TiO2
Authors of publication	William B. Heuer; Hai-Long Xia; William Ward; Zhen Zhou; Wayne H. Pearson; Maxime A. Siegler; Amy A. Narducci Sarjeant; Maria Abrahamsson; Gerald J. Meyer
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	3981 - 3988
a	11.744 ± 0.004 Å
b	30.697 ± 0.011 Å
c	12.589 ± 0.004 Å
α	90°
β	113.201 ± 0.009°
γ	90°
Cell volume	4171 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1185
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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