Information card for entry 4341143

Structure parameters

• Formula: C59 H66 B Cl2 Ir N12
• Calculated formula: C59 H66 B Cl2 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: 11.0074 ± 0.0011 Å
• b: 24.21 ± 0.002 Å
• c: 11.393 ± 0.0011 Å
• α: 90°
• β: 113.011 ± 0.002°
• γ: 90°
• Cell volume: 2794.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0167
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.0397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No