Information card for entry 4341140

Structure parameters

• Formula: C45 H48 B N6 Rh
• Calculated formula: C45 H48 B N6 Rh
• SMILES: [Rh]1234(=C5N(C=CN5CCn5[n]1ccc5)CCn1nccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Hemilabile and Bimetallic Coordination in Rh and Ir Complexes of NCN Pincer Ligands.
• Authors of publication: Mancano, Giulia; Page, Michael J.; Bhadbhade, Mohan; Messerle, Barbara A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10159 - 10170
• a: 11.6656 ± 0.0003 Å
• b: 11.3435 ± 0.0003 Å
• c: 14.6475 ± 0.0004 Å
• α: 90°
• β: 97.391 ± 0.001°
• γ: 90°
• Cell volume: 1922.18 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No