Information card for entry 4303237

Structure parameters

• Formula: C40 H83 Mo6 N3 O20
• Calculated formula: C40 H83 Mo6 N3 O20
• SMILES: [Mo]1234([O]5678[Mo]9%10(=O)(O1)O[Mo]15(=O)(O2)O[Mo]27(=O)(O4)O[Mo]6(=O)(O3)(O9)O[Mo]8(=O)(O%10)(O1)O2)=Nc1ccc(O)cc1.OCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: From 0D dimer to 2D Network-Supramolecular Assembly of Organic Derivatized Polyoxometalates with Remote Hydroxyl via Hydrogen Bonding
• Authors of publication: Longsheng Wang; Li Zhu; Panchao Yin; Weiwei Fu; Jiake Chen; Jian Hao; Fengping Xiao; Chunlin Lv; Jin Zhang; Lu Shi; Qiang Li; Yongge Wei
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9222 - 9235
• a: 12.604 ± 0.003 Å
• b: 13.104 ± 0.003 Å
• c: 19.371 ± 0.004 Å
• α: 73.63 ± 0.03°
• β: 72.36 ± 0.03°
• γ: 79.75 ± 0.03°
• Cell volume: 2910.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No