Information card for entry 1551652

Structure parameters

• Formula: C45 H46 Cl12 Mo6 N24 O13 S12
• Calculated formula: C45 H42 Cl12 Mo6 N24 O13 S12
• Title of publication: Synthesis and Crystal Structure of a Sulfur-bridged Incomplete Cubane-type Molybdenum Cluster with a Tris(pyrazolyl)methanesulfonate Ligand
• Authors of publication: MORIWAKI, Kazuhiro; YOSHIDA, Ryouichi; AKASHI, Haruo
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2014
• Journal volume: 30
• Journal issue: 0
• Pages of publication: 11
• a: 24.509 ± 0.007 Å
• b: 29.273 ± 0.006 Å
• c: 16.49 ± 0.005 Å
• α: 90°
• β: 132.942 ± 0.003°
• γ: 90°
• Cell volume: 8661 ± 4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• 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: 0.0798
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No