Information card for entry 7039480

Structure parameters

• Formula: C30 H34 B F4 N6 O Rh
• Calculated formula: C30 H34 B F4 N6 O Rh
• SMILES: [Rh]123456(c7n(c8c1cccc8)n[n+](C)c7COCc1c2[n+](nn1C)c1ccccc1)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.[B](F)(F)(F)[F-]
• Title of publication: Versatile bonding and coordination modes of ditriazolylidene ligands in rhodium(iii) and iridium(iii) complexes.
• Authors of publication: Farrell, Kevin; Müller-Bunz, Helge; Albrecht, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 15859 - 15871
• a: 10.3886 ± 0.0003 Å
• b: 23.2899 ± 0.0004 Å
• c: 12.8981 ± 0.0003 Å
• α: 90°
• β: 112.792 ± 0.003°
• γ: 90°
• Cell volume: 2877.02 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No