Information card for entry 7024185

Structure parameters

• Formula: C52 H54 N6 O4 Ru
• Calculated formula: C52 H32 N6 O4 Ru
• Title of publication: Chromophoric dipyrrin complexes capable of binding to TiO2: synthesis, structure and spectroscopy.
• Authors of publication: Hall, Jeremy D.; McLean, Tracey M.; Smalley, Serena J.; Waterland, Mark R.; Telfer, Shane G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 437 - 445
• a: 12.4091 ± 0.0012 Å
• b: 10.8412 ± 0.0008 Å
• c: 33.848 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4553.6 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.1215
• Weighted residual factors for significantly intense reflections: 0.2716
• Weighted residual factors for all reflections included in the refinement: 0.2901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No