Information card for entry 4341139

Structure parameters

• Formula: C44.25 H46.5 B Cl2.5 N6 Rh
• Calculated formula: C44.25 H46.5 B Cl2.5 N6 Rh
• 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: 17.425 ± 0.003 Å
• b: 11.8512 ± 0.0016 Å
• c: 21.719 ± 0.003 Å
• α: 90°
• β: 108.686 ± 0.005°
• γ: 90°
• Cell volume: 4248.7 ± 1.1 ų
• Cell temperature: 156 ± 2 K
• Ambient diffraction temperature: 156 ± 2 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: 0.052
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No