Information card for entry 2021293

Structure parameters

• Common name: Poly[diaquabis(2,2'-biimidazole)hexa-μ~3~-oxo-octa-μ~2~-oxo-hexaoxodicopper(II)hexamolybdate(VI)]
• Formula: C12 H16 Cu2 Mo6 N8 O22
• Calculated formula: C12 H16 Cu2 Mo6 N8 O22
• SMILES: [Mo]12345O[Mo]678([O]9[Mo]%10(O[Mo]%11%12%13(O[Mo]%14([O]%11[Mo](O[Mo]%11%15([O]%12[Mo]9(O%11)([O]%10%15)(=O)=O)(=[O][Cu]9([n]%10c([nH]cc%10)c%10[n]9cc[nH]%10)[OH2])[O]%13%14)(=O)(=O)=O)(=O)=O)=[O][Cu]9([O]=6)([n]6c([nH]cc6)c6[n]9cc[nH]6)[OH2])([O]8[Mo]68([O]4[Mo]4(O[Mo]([O]2[Mo](O1)(=O)(=O)[O]54)(=O)(=O)=O)(O6)([O]78)=[O][Cu]1([n]2c([nH]cc2)c2[n]1cc[nH]2)[OH2])(=O)=O)(=[O][Cu]1([O]=3)([n]2c([nH]cc2)c2[n]1cc[nH]2)[OH2])=O)=O
• Title of publication: A new hexamolybdate-based copper‒2,2'-biimidazole coordination polymer serving as an acid catalyst and support for enzyme immobilization
• Authors of publication: Sang, Xiao-Jing; Feng, Shu-Li; Lu, Ying; Zhang, Yue-Xian; Su, Fang; Zhang, Lan-Cui; Zhu, Zai-Ming
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• a: 8.065 ± 0.003 Å
• b: 10.293 ± 0.004 Å
• c: 10.837 ± 0.004 Å
• α: 64.09 ± 0.005°
• β: 75.186 ± 0.005°
• γ: 71.141 ± 0.005°
• Cell volume: 758.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes