Information card for entry 4060680

Structure parameters

• Formula: C70 H38 Ir4 Mo4 O16
• Calculated formula: C70 H38 Ir4 Mo4 O16
• Title of publication: Mixed-Metal Cluster Chemistry. 21. Synthesis and Crystallographic and Electrochemical Studies of Alkyne-Coordinated Group 6-Iridium Clusters Linked by Phenylenevinylene Groups
• Authors of publication: Nigel T. Lucas; Eleni G. A. Notaras; Marie P. Cifuentes; Mark G. Humphrey
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Pages of publication: 284 - 301
• a: 9.6923 ± 0.0002 Å
• b: 10.4511 ± 0.0002 Å
• c: 18.9394 ± 0.0003 Å
• α: 74.615 ± 0.001°
• β: 83.982 ± 0.001°
• γ: 68.9618 ± 0.0009°
• Cell volume: 1726.32 ± 0.056 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections: 0.821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No