Information card for entry 1559176

Structure parameters

• Formula: C68 H55 B2 F8 N11 Rh2
• Calculated formula: C68 H55 B2 F8 N11 Rh2
• SMILES: [Rh]1234([Rh]([n]5[n]1c1ccccc1c1c5cccc1)(n1n2c2ccccc2c2c1cccc2)([N](=C(N3c1ccccc1)c1ccccc1)c1ccccc1)(N(C(=[N]4c1ccccc1)c1ccccc1)c1ccccc1)[N]#CC)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC
• Title of publication: Panchromatic dirhodium photocatalysts for dihydrogen generation with red light
• Authors of publication: Huang, Jie; Gallucci, Judith C.; Turro, Claudia
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 36
• Pages of publication: 9775 - 9783
• a: 14.2611 ± 0.0007 Å
• b: 37.3119 ± 0.0018 Å
• c: 14.5988 ± 0.0007 Å
• α: 90°
• β: 115.426 ± 0.001°
• γ: 90°
• Cell volume: 7015.7 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.283
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No