Information card for entry 4077925

Structure parameters

• Formula: C90 H88 B2 Cl12 Ir4 Mo6 N12 O18
• Calculated formula: C90 H88 B2 Cl12 Ir4 Mo6 N12 O18
• Title of publication: Mixed-Metal Cluster Chemistry. 31.(1) Reactions of Dimolybdenum‒Diiridium Clusters with Alkylidyne Complexes
• Authors of publication: Randles, Michael D.; Dewhurst, Rian D.; Cifuentes, Marie P.; Humphrey, Mark G.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2582
• a: 14.1283 ± 0.0002 Å
• b: 17.1504 ± 0.0002 Å
• c: 23.2541 ± 0.0003 Å
• α: 81.7881 ± 0.0006°
• β: 88.8624 ± 0.0007°
• γ: 78.6851 ± 0.0005°
• Cell volume: 5468.25 ± 0.12 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections: 0.1138
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No