Information card for entry 4317846

Structure parameters

• Common name: 98233aa
• Formula: C16 H36.5 As2 N14 Na O25 W6
• Calculated formula: C16 H36 As2 N14 Na O25 W6
• SMILES: NC(=[NH2+])N.NC(=[NH2+])N.C(=[NH2+])(N)N.c1(ccc(cc1)N)[As]12=[O]3[W]45(O[W]3(=O)(=O)(O[W]36([O]1[W]1(O7[W]8([O]2[W]([O]=[As]7(c2ccc(cc2)N)O3)(=O)(=O)(O5)O8)(=O)(=O)O1)(=O)(=O)O6)(=O)=O)O4)(=O)=O.C(=[NH2+])(N)N.[Na+]
• Title of publication: Design and Analysis of Chain and Network Structures from Organic Derivatives of Polyoxometalate Clusters
• Authors of publication: Bret J. S. Johnson; Rick C. Schroden; Changcheng Zhu; Victor G. Young; Andreas Stein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2213 - 2218
• a: 12.9018 ± 0.0002 Å
• b: 18.9366 ± 0.0001 Å
• c: 21.4854 ± 0.0002 Å
• α: 90.941 ± 0.001°
• β: 94.258 ± 0.001°
• γ: 92.595 ± 0.001°
• Cell volume: 5228.34 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0479
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.0895
• Goodness-of-fit parameter for all reflections: 0.928
• Goodness-of-fit parameter for significantly intense reflections: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No