Information card for entry 4319216

Structure parameters

• Formula: C76 H80 Cl4 Mo4 N8 O16
• Calculated formula: C76 H76 Cl4 Mo4 N8 O16
• Title of publication: Connecting Pairs of Dimetal Units To Form Molecular Loops
• Authors of publication: F. Albert Cotton; Chun Lin; Carlos A. Murillo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 472 - 477
• a: 10.182 ± 0.001 Å
• b: 12.959 ± 0.003 Å
• c: 16.153 ± 0.003 Å
• α: 107.54 ± 0.01°
• β: 93.38 ± 0.01°
• γ: 99.9 ± 0.01°
• Cell volume: 1988 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.2344
• Weighted residual factors for all reflections included in the refinement: 0.2534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No