Information card for entry 7238373

Structure parameters

• Formula: C56 H64 Cu3 Mo12 N16 O44 P
• Calculated formula: C56 H56 Cu3 Mo12 N16 O44 P
• Title of publication: Controllable assembly of four new POM-based supramolecular compounds by altering the POM secondary building units from pseudo-Keggin to classical Keggin
• Authors of publication: Ding, Yan; Meng, Jing-Xin; Chen, Wei-Lin; Wang, En-Bo
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2687
• a: 13.28 ± 0.003 Å
• b: 13.476 ± 0.003 Å
• c: 14.623 ± 0.003 Å
• α: 109.29 ± 0.03°
• β: 116.85 ± 0.03°
• γ: 97.96 ± 0.03°
• Cell volume: 2071.2 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No