Information card for entry 4330990

Structure parameters

• Formula: C46 H58 N5 O Rh
• Calculated formula: C46 H58 N5 O Rh
• SMILES: [Rh]12([NH]=C3c4ccccc4c4ccccc4C3=[NH]2)N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C.O=CN(C)C
• Title of publication: Ligand Effects on the Oxidative Addition of Halogens to (dpp-nacnacR)Rh(phdi)
• Authors of publication: David W. Shaffer; Scott A. Ryken; Ryan A. Zarkesh; Alan F. Heyduk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12122 - 12131
• a: 45.474 ± 0.002 Å
• b: 8.9507 ± 0.0005 Å
• c: 23.6102 ± 0.0012 Å
• α: 90°
• β: 120.745 ± 0.0005°
• γ: 90°
• Cell volume: 8259.3 ± 0.7 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No