Information card for entry 7115248

Structure parameters

• Formula: C262.5 H262.9 Cl4.6 Mo12 N46.1 O48
• Calculated formula: C263.304 H192 Cl4.6 Mo12 N46.102 O48
• Title of publication: The designed ‘self-assembly’ of a three-dimensional molecule containing six quadruply-bonded Mo24+ units
• Authors of publication: Albert Cotton, F.; Daniels, Lee M.; Lin, Chun; Murillo, Carlos A.; Murillo, Carlos A.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 9
• Pages of publication: 841
• a: 29.825 ± 0.003 Å
• b: 27.377 ± 0.002 Å
• c: 38.248 ± 0.003 Å
• α: 90°
• β: 112.71 ± 0.01°
• γ: 90°
• Cell volume: 28809 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections: 0.2406
• Weighted residual factors for significantly intense reflections: 0.2174
• Goodness-of-fit parameter for all reflections: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No