Information card for entry 4312575

Structure parameters

• Formula: C30 H68 Ce Ge Mo12 N6 O53
• Calculated formula: C30 H54 Ce Ge Mo12 N6 O53
• SMILES: [Ce]([OH2])([OH2])([OH2])([OH2])([O]=C1N(CCC1)C)([O]=C1N(CCC1)C)([O]=C1N(CCC1)C)[O]=C1N(CCC1)C.[Mo]1234(O[Mo]567(O[Mo]89%10(O[Mo]%11%12(O[Mo]%13%14%15(O[Mo]%16%17(O[Mo]%18%19(O[Mo]%20(O[Mo]%21%22(=O)(O[Mo]%23(O%13)(O[Mo]%13(O[Mo]([O]%11%14[Ge]([O]%10%17%18)([O]%21%23%13)[O]47%20)(O%12)(O%15)(=O)O3)(O2)(O%22)=O)(O%16)=O)O%19)(O1)(O6)=O)(O8)=O)(=O)O9)=O)(=O)O5)=O)=O)=O.O.O.O.O=C1N(CCC1)C.O=C1N(CCC1)C
• Title of publication: Synthesis, Crystal Structure, and Photochromism of Novel Two-Dimensional Supramolecular Networks Based on Keggin-Type Polyoxoanion and Lanthanide Coordination Cations
• Authors of publication: Hong Zhang; Liying Duan; Yang Lan; Enbo Wang; Changwen Hu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8053 - 8058
• a: 17.313 ± 0.004 Å
• b: 18.316 ± 0.004 Å
• c: 23.039 ± 0.005 Å
• α: 90°
• β: 107.19 ± 0.03°
• γ: 90°
• Cell volume: 6979 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No