Information card for entry 7114853

Structure parameters

• Formula: C12 H768 Mo138 N32 O736
• Calculated formula: C12 Mo138 O694
• Title of publication: Mimicking oxide surfaces: different types of defects and ligand coordination at well defined positions of a molybdenum oxide based nanocluster
• Authors of publication: Müller, Achim; Maiti, Rabindranath; Schmidtmann, Marc; Bögge, Hartmut; Das, Samar K.; Zhang, Wenjian
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 20
• Pages of publication: 2126
• a: 42.0716 ± 0.0014 Å
• b: 40.2653 ± 0.0014 Å
• c: 26.0734 ± 0.0009 Å
• α: 90°
• β: 112.019 ± 0.001°
• γ: 90°
• Cell volume: 40947 ± 2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections: 0.187
• Weighted residual factors for significantly intense reflections: 0.1482
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No