Information card for entry 7004174

Structure parameters

• Formula: C25 H46 Ir2 P2
• Calculated formula: C25 H44 Ir2 P2
• SMILES: [Ir]12345([Ir]6789([P](C[P]1(C)C)(C)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
• Title of publication: C‒H activation on a diphosphine and hydrido-bridged diiridium complex: generation and detection of an active IrII‒IrII species [(Cp*Ir)2(μ-dmpm)(μ-H)]+
• Authors of publication: Takahashi, Yoshinori; Nonogawa, Mitsuru; Fujita, Ken-ichi; Yamaguchi, Ryohei
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 27
• Pages of publication: 3546 - 3552
• a: 8.505 ± 0.006 Å
• b: 16.341 ± 0.007 Å
• c: 20.088 ± 0.004 Å
• α: 90°
• β: 96.95 ± 0.03°
• γ: 90°
• Cell volume: 2771 ± 2 ų
• Cell temperature: 203.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No