Information card for entry 4341142

Structure parameters

• Formula: C54.5 H57 B Cl Ir N12
• Calculated formula: C54.5 H57 B Cl Ir N12
• 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: 10.3367 ± 0.0003 Å
• b: 12.8201 ± 0.0004 Å
• c: 19.6142 ± 0.0007 Å
• α: 92.847 ± 0.001°
• β: 102.154 ± 0.002°
• γ: 94.312 ± 0.001°
• Cell volume: 2528.05 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No