Information card for entry 7219952

Structure parameters

• Formula: C30 H56 Mo6 N10 Na O39.5 P2
• Calculated formula: C30 H37 Mo6 N10 Na O39.5 P2
• SMILES: C1P23=[O]4[Mo]56(OC(=O[Mo]4(O[Mo]47(=O)(O[Mo](=O)([O]27)(=O)([O]=C(c2ccc(cc2)O)O4)O[Mo]24(=O)(O[Mo]([O]32)(=O)(=O)(O5)[O]=P1(O4)O)=O)=O)(O6)(=O)=O)c1ccc(O)cc1)(=O)=O.[Na+].O.[nH+]1c[nH]cc1.[nH+]1c[nH]cc1.[nH+]1c[nH]cc1.[nH+]1c[nH]cc1.[nH+]1ccnc1.O.O.O.O.O.O.O.O.O
• Title of publication: Controlled Assembly of Carboxylate Hybrid Based on [(O3PCH2PO3)Mo6O22]12− Polyanion
• Authors of publication: Sun, Xiaopeng; Yang, Donghui; Wang, Gaigai; Liang, Zhijie; Ma, Pengtao; Wang, Jingping; Niu, Jingyang
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 12.725 ± 0.003 Å
• b: 13.292 ± 0.003 Å
• c: 20.645 ± 0.004 Å
• α: 90.526 ± 0.003°
• β: 103.738 ± 0.003°
• γ: 111.016 ± 0.003°
• Cell volume: 3149.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0645
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No