Information card for entry 4303236

Structure parameters

• Formula: C44 H82 Mo6 N4 O19
• Calculated formula: C44 H82 Mo6 N4 O19
• SMILES: c1(ccc(cc1)O)N=[Mo]1234[O]5678[Mo]9%10(=O)(O[Mo]%116(O3)(=Nc3ccc(cc3)O)O[Mo]37(=O)(O4)O[Mo]5(=O)(O%10)(O[Mo]8(O2)(O9)(=O)O3)O%11)O1.C(CCC)[N+](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: 12.576 ± 0.003 Å
• b: 38.573 ± 0.008 Å
• c: 12.578 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6102 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1359
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No