Information card for entry 4303235

Structure parameters

• Formula: C46 H88 Mo6 N4 O20
• Calculated formula: C46 H88 Mo6 N4 O20
• SMILES: [Mo]1234(O[Mo]56(O[Mo]78(=O)(O1)O[Mo]19(=O)(O3)O[Mo]3(=O)(O2)(O5)O[Mo]2(=O)(O6)(O7)O1)([O]23489)=Nc1ccc(O)cc1C)=Nc1ccc(O)cc1C.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.O
• 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: 12.846 ± 0.003 Å
• b: 12.969 ± 0.003 Å
• c: 21.06 ± 0.004 Å
• α: 85.65 ± 0.03°
• β: 75.21 ± 0.03°
• γ: 72.69 ± 0.03°
• Cell volume: 3238.7 ± 1.4 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: 0.0837
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No