Information card for entry 7238370

Structure parameters

• Formula: C56 H61 Mn Mo8 N16 O44 P V6
• Calculated formula: C56 H56 Mn Mo8 N16 O44 P V6
• 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: 23.033 ± 0.01 Å
• b: 23.033 ± 0.01 Å
• c: 15.607 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8280 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No