Information card for entry 7210736

Structure parameters

• Formula: C74 H58 Cl2 Cu4 N13 O68 P2 W18
• Calculated formula: C74 H58 Cl2 Cu4 N13 O68 P2 W18
• Title of publication: Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex
• Authors of publication: Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 25
• Pages of publication: 5156
• a: 17.4716 ± 0.0006 Å
• b: 19.9622 ± 0.0007 Å
• c: 32.5448 ± 0.0012 Å
• α: 90°
• β: 97.927 ± 0.001°
• γ: 90°
• Cell volume: 11242.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0579
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No