Information card for entry 7009462

Structure parameters

• Formula: C94 H96 B2 Ir2 O P2
• Calculated formula: C94 H95 B2 Ir2 O P2
• SMILES: [Ir]12345([O](C)[Ir]6789([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]7([c]8([c]9([c]61C)C)C)C)C)[c]1([c]3([c]4([c]5([c]21C)C)C)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: dppm and hydrido-bridged dinuclear complexes of iridium. Synthesis and structures of [(IrCp*)2(μ-dppm)(μ-H)(μ-X)]2+ (X = Cl, OMe, OH, or H)
• Authors of publication: Fujita, Ken-ichi; Hamada, Taro; Yamaguchi, Ryohei
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 12
• Pages of publication: 1931
• a: 26.481 ± 0.009 Å
• b: 11.13 ± 0.01 Å
• c: 27.771 ± 0.009 Å
• α: 90°
• β: 107.96 ± 0.03°
• γ: 90°
• Cell volume: 7786 ± 8 ų
• Cell temperature: 291.2 K
• Ambient diffraction temperature: 291.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections: 1.277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No