Information card for entry 4327454

Structure parameters

• Formula: C42 H57 Mo6 N Na2 O34
• Calculated formula: C42 Mo6 N Na2 O34
• SMILES: C1C[O]2c3ccccc3[O]3CC[O]4CC[O]5c6ccccc6[O]6CC[O]1[Na]23456[OH2].C(#N)C.O.O=[Mo]1234O[Mo]567(=O)[O]89%101[Mo]1%11(=O)(O[Mo]9(=O)(O3)(O7)O[Mo]%10(=O)(O%11)(O4)O[Mo]8(=O)(O2)(O1)O6)O5.C1C[O]2c3ccccc3[O]3CC[O]4CC[O]5c6ccccc6[O]6CC[O]1[Na]23456[OH2].CC#N
• Title of publication: New High-Dimensional Networks Based on Polyoxometalate and Crown Ether Building Blocks
• Authors of publication: Yangguang Li; Na Hao; Enbo Wang; Mei Yuan; Changwen Hu; Ninghai Hu; Hengqing Jia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2729 - 2735
• a: 16.9701 ± 0.0006 Å
• b: 16.9701 ± 0.0006 Å
• c: 14.2676 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4108.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 127
• Hermann-Mauguin space group symbol: P 4/m b m
• Hall space group symbol: -P 4 2ab
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1997
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No