Information card for entry 7038379

Structure parameters

• Formula: C42 H36 F20 N2 O4
• Calculated formula: C42 H36 F20 N2 O4
• SMILES: FC(F)(CCCOc1cc(c2cc(c3cc(ccn3)c3cc(cc(OCCCC(F)(F)C(F)(F)F)c3)OCCCC(F)(F)C(F)(F)F)ncc2)cc(c1)OCCCC(F)(F)C(F)(F)F)C(F)(F)F
• Title of publication: Synthesis and properties of new mononuclear Ru(ii)-based photocatalysts containing 4,4'-diphenyl-2,2'-bipyridyl ligands.
• Authors of publication: Coe, Benjamin J.; Sánchez, Sergio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5210 - 5222
• a: 18.4859 ± 0.0015 Å
• b: 11.453 ± 0.0008 Å
• c: 10.268 ± 0.0008 Å
• α: 90°
• β: 99.482 ± 0.008°
• γ: 90°
• Cell volume: 2144.2 ± 0.3 ų
• Cell temperature: 150.02 ± 0.1 K
• Ambient diffraction temperature: 150.02 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.1281
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.2168
• Weighted residual factors for all reflections included in the refinement: 0.2543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No