Information card for entry 7125469

Structure parameters

• Formula: C66 H753 Mo154 N22 Na3 O804 S22
• Calculated formula: C44 Mo154 O756
• Title of publication: On the option of generating novel type surfaces with multiphilic ligands within the cavity of a giant metal‒oxide based wheel type cluster: chemical reactions with well-defined nanoobjects
• Authors of publication: Müller, Achim; Das, Samar K.; Kuhlmann, Christoph; Bögge, Hartmut; Schmidtmann, Marc; Diemann, Ekkehard; Krickemeyer, Erich; Hormes, Josef; Modrow, Hartwig; Schindler, Matthias
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 7
• Pages of publication: 655
• a: 36.243 ± 0.002 Å
• b: 42.788 ± 0.002 Å
• c: 31.541 ± 0.0015 Å
• α: 90°
• β: 107.886 ± 0.001°
• γ: 90°
• Cell volume: 46549 ± 4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• 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: 0.1517
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections: 0.2456
• Weighted residual factors for significantly intense reflections: 0.1793
• Goodness-of-fit parameter for all reflections: 1.011
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No