Information card for entry 4074110

Structure parameters

• Formula: C30.5 H30 B9 Cl Cu Ir O5 P Re
• Calculated formula: C30.5 H30 B9 Cl Cu Ir O5 P Re
• Title of publication: Construction of Metal Butterflies on a Metallacarborane Scaffold. 2. Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters
• Authors of publication: McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Stone, F. Gordon A.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 4452
• a: 12.2113 ± 0.001 Å
• b: 12.9698 ± 0.001 Å
• c: 14.6498 ± 0.001 Å
• α: 69.232 ± 0.01°
• β: 66.182 ± 0.01°
• γ: 67.091 ± 0.01°
• Cell volume: 1900.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2233
• Weighted residual factors for all reflections included in the refinement: 0.2309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No