Information card for entry 4347323

Structure parameters

• Formula: C44 H98 Cu Mo6 N2 O25
• Calculated formula: C44 H96 Cu Mo6 N2 O25
• Title of publication: Controlled Triol-Derivative Bonding and Decoration Transformation on Cu-Centered Anderson-Evans Polyoxometalates.
• Authors of publication: Wang, Yang; Li, Bao; Qian, Hujun; Wu, Lixin
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4271 - 4277
• a: 25.265 ± 0.005 Å
• b: 10.414 ± 0.002 Å
• c: 27.313 ± 0.006 Å
• α: 90°
• β: 117.43 ± 0.03°
• γ: 90°
• Cell volume: 6378 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No