Information card for entry 4319215

Structure parameters

• Formula: C84 H81 Cl4 Mo4 N8 O16
• Calculated formula: C84 H72 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: 11.749 ± 0.001 Å
• b: 16.921 ± 0.001 Å
• c: 22.71 ± 0.002 Å
• α: 103.111 ± 0.001°
• β: 95.158 ± 0.001°
• γ: 104.508 ± 0.001°
• Cell volume: 4205.1 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0704
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No