Information card for entry 1508216

Structure parameters

• Formula: C18 H58 Cl F6 Ir2 P7
• Calculated formula: C18 H54 Cl F6 Ir2 P7
• SMILES: [Ir]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[Cl][Ir]([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: 9.812 ± 0.002 Å
• b: 14.079 ± 0.003 Å
• c: 14.816 ± 0.003 Å
• α: 82.53 ± 0.03°
• β: 71.3 ± 0.03°
• γ: 89.84 ± 0.03°
• Cell volume: 1920.6 ± 0.8 ų
• Cell temperature: 568 ± 2 K
• Ambient diffraction temperature: 568 ± 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: 0.0714
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No