Information card for entry 7039482

Structure parameters

• Formula: C23 H37.48 B0.21 Cl1.79 F0.84 N6 O0.24 Rh
• Calculated formula: C23 H37 B0.208 Cl1.792 F0.832 N6 O0.237 Rh
• 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: 9.4774 ± 0.0004 Å
• b: 17.4666 ± 0.0007 Å
• c: 15.7881 ± 0.0006 Å
• α: 90°
• β: 92.342 ± 0.004°
• γ: 90°
• Cell volume: 2611.35 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No