Information card for entry 4315451

Structure parameters

• Formula: C40 H25 Cl10 N5 O9 P3 Re
• Calculated formula: C40 H25 Cl10 N5 O9 P3 Re
• SMILES: [Re]1([n]2cccc3OP4(Oc5ccc[n]1c5c23)=NP1(=NP2(=N4)Oc3c(c4c(O2)cccc4)cccc3)Oc2c(c3ccccc3O1)cccc2)(C#[O])(C#[O])(C#[O])Cl.ClC(Cl)Cl.C(Cl)(Cl)Cl.ClC(Cl)Cl
• Title of publication: Excited States of Ru(II) and Re(I) Bipyridyl Complexes Attached to Cyclotriphosphazenes: A Synthetic, Spectroscopic, and Computational Study
• Authors of publication: Raphael Horvath; Carl A. Otter; Keith C. Gordon; Andrew M. Brodie; Eric W. Ainscough
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4073 - 4083
• a: 8.5198 ± 0.0006 Å
• b: 14.6205 ± 0.001 Å
• c: 20.7929 ± 0.0014 Å
• α: 105.593 ± 0.002°
• β: 98.725 ± 0.002°
• γ: 98.796 ± 0.002°
• Cell volume: 2414.3 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No