Information card for entry 4510158

Structure parameters

• Formula: C36 H100 Cu3 Mo6 N24 O44 Te
• Calculated formula: C36 H84 Cu3 Mo6 N24 O44 Te
• SMILES: C1(O)=[O][Cu]2([NH2][C@H]1CCCNC(=N)N)[NH2][C@@H](C(=[O]2)O)CCCNC(=N)N.[O]1=C(O)[C@@H]([NH2][Cu]21[NH2][C@@H](C(=[O]2)O)CCCNC(=N)N)CCCNC(=N)N.[Mo]123(O[Mo]45([O]6[Te]789([O]2[Mo]2(O1)(=O)(=O)[O]7[Mo]1(O2)(=O)(=O)[O]8[Mo]2(O1)(=O)(=O)O[Mo]6(=O)(=O)(O4)[O]92)[O]35)(=O)=O)(=O)=O.O.O.O.O.C(=N)(N)NCCC[C@@H]1C(O)=[O][Cu]2([NH2]1)[NH2][C@H](C(=[O]2)O)CCCNC(=N)N.O.O.O.O
• Title of publication: Novel One-Dimensional Organic‒Inorganic Polyoxometalate Hybrids Constructed from Heteropolymolybdate Units and Copper‒Aminoacid Complexes
• Authors of publication: Zhao, Jun-Wei; Zhang, Jing-Li; Li, Yan-Zhou; Cao, Jing; Chen, Li-Juan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 1467
• a: 10.9476 ± 0.0009 Å
• b: 11.3888 ± 0.0009 Å
• c: 16.2334 ± 0.0013 Å
• α: 89.329 ± 0.001°
• β: 78.608 ± 0.001°
• γ: 82.383 ± 0.001°
• Cell volume: 1966.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No