Information card for entry 1508217

Structure parameters

• Formula: C30 H66 Cl F6 Ir2 P7
• Calculated formula: C30 H64 Cl F6 Ir2 P7
• SMILES: [Ir](c1ccccc1)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[Cl][Ir](c1ccccc1)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Dinuclear iridium complexes with unsupported Ir-Cl-Ir bridges
• Authors of publication: Merola, Joseph S; Husebo, Trang Le; Selnau, Henry E
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 390
• Pages of publication: 33 - 36
• a: 10.323 ± 0.002 Å
• b: 19.337 ± 0.004 Å
• c: 12.204 ± 0.002 Å
• α: 90°
• β: 110.09 ± 0.03°
• γ: 90°
• Cell volume: 2287.9 ± 0.9 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0526
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No