Information card for entry 4320450

Structure parameters

• Formula: C24 H40 As4 Mo12 N4 Na4 O70
• Calculated formula: C24 H40 As4 Mo12 N4 Na4 O70
• SMILES: c1(cc(N(=O)=O)c(cc1)O)[As]12=[O]3[Mo]45(=O)(O[Mo]67([O]1[Mo]18(=O)(O[Mo]9%10([O]%11[Mo]%12%13(=O)(O[Mo]%14%15([O]%16[Mo]%17%18(=O)(O[Mo]%19([O]4[Mo]43(=O)(O[Mo]%11([O]%12=[As](c3cc(c(cc3)O)N(=O)=O)([O]%194)[O]%15%18)(=O)(=O)[O]29)=O)(=O)(=O)[O]5=[As]2(c3cc(c(cc3)O)N(=O)=O)[O]%17[Mo]3%16(=O)(O[Mo]([O]61)([O]8=[As](c1cc(c(cc1)O)N(=O)=O)([O]%143)[O]%10%13)(=O)(=O)[O]72)=O)=O)(=O)=O)=O)(=O)=O)=O)(=O)=O)=O.[Na+].O.O.O.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O
• Title of publication: Synthesis and Characterization of 2D and 3D Structures from Organic Derivatives of Polyoxometalate Clusters: Role of Organic Moiety, Counterion, and Solvent
• Authors of publication: Bret J. S. Johnson; Rick C. Schroden; Changcheng Zhu; Andreas Stein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5972 - 5978
• a: 17.8024 ± 0.0005 Å
• b: 17.8024 ± 0.0005 Å
• c: 11.8281 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3748.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.268
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No