Information card for entry 4330548

Structure parameters

• Formula: C57 H52 Cl2 Ir2 N6 O3
• Calculated formula: C56.62 H48 Cl2 Ir2 N6 O2.95
• Title of publication: Cyclometalated Iridium(III) Complexes Containing Hydroxide/Chloride Ligands: Isolation of Heterobridged Dinuclear Iridium(III) Compounds Containing μ-OH and μ-Pyrazole Ligands
• Authors of publication: Vadapalli Chandrasekhar; Bani Mahanti; Priyanka Bandipalli; Kotamarthi Bhanuprakash
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10536 - 10547
• a: 18.312 ± 0.003 Å
• b: 23.253 ± 0.004 Å
• c: 25.195 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10728 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No