Information card for entry 4330547

Structure parameters

• Formula: C64 H54 Cl2 Ir2 N6 O
• Calculated formula: C64 H54 Cl2 Ir2 N6 O
• SMILES: [Ir]123([OH][Ir]45([n]6ccccc6c6ccc(cc46)C)([n]4ccccc4c4ccc(cc54)C)n4[n]1c(cc4c1ccccc1)c1ccccc1)([n]1ccccc1c1ccc(cc21)C)[n]1ccccc1c1ccc(cc31)C.ClCCl
• 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: 25.744 ± 0.005 Å
• b: 11.615 ± 0.002 Å
• c: 20.613 ± 0.004 Å
• α: 90°
• β: 90.561 ± 0.003°
• γ: 90°
• Cell volume: 6163 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0608
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No