Information card for entry 7004175

Structure parameters

• Formula: C26 H45 F3 Ir2 O3 P2 S
• Calculated formula: C26 H43 F3 Ir2 O3 P2 S
• SMILES: [Ir]123456([Ir]789%10([P](C[P]1(C)C)(C)C6)[c]1([c]%10([c]9([c]8([c]71C)C)C)C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F
• 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: 9.771 ± 0.003 Å
• b: 10.88 ± 0.003 Å
• c: 15.431 ± 0.003 Å
• α: 80.236 ± 0.019°
• β: 83.09 ± 0.02°
• γ: 86.91 ± 0.03°
• Cell volume: 1604 ± 0.7 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No