Information card for entry 7024187

Structure parameters

• Formula: C48 H37 N6 O8 Rh
• Calculated formula: C48 H33 N6 O6 Rh
• 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: 13.5452 ± 0.0008 Å
• b: 16.1898 ± 0.0009 Å
• c: 40.0972 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8793.1 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No