Information card for entry 4339289

Structure parameters

• Formula: C156.03 H136.84 B2 Cl6.49 I1.22 Ir2 Mo2 N8 O4 P4
• Calculated formula: C156.028 H136.836 B2 Cl6.496 I1.22 Ir2 Mo2 N8 O4 P4
• Title of publication: Linear metal-metal-bonded tetranuclear M-Mo-Mo-M complexes (M = Ir and Rh): oxidative metal-metal bond formation in a tetrametallic system and 1,4-addition reaction of alkyl halides.
• Authors of publication: Ohashi, Masato; Shima, Asuka; Rüffer, Tobias; Mizomoto, Hitoshi; Kaneda, Yutaka; Mashima, Kazushi
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6702 - 6714
• a: 33.911 ± 0.003 Å
• b: 19.6687 ± 0.0018 Å
• c: 27.35 ± 0.002 Å
• α: 90°
• β: 126.895 ± 0.003°
• γ: 90°
• Cell volume: 14589 ± 2 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 10
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No