Information card for entry 2208272

Structure parameters

• Chemical name: μ-hexatriacontaoxophosphatododecamolybdenum-[bis(1,10- phenanthroline)copper(II)]
• Formula: C48 H32 Cu2 Mo12 N8 O40 P
• Calculated formula: C48 H32 Cu2 Mo12 N8 O40 P
• SMILES: [Mo]1234(O[Mo]567(O[Mo]89%10([O]%11%12[Mo]%13%14(=O)(O[Mo]%15%11(=O)(O8)O[Mo]8%11%16([O]%17%18[Mo]%19(=O)(O[Mo]%20%21([O]%22([Mo]([O]([Mo]%22(=O)(O%21)(O%13)O[Mo]%17(=O)(O%19)(O%11)O%14)[Cu]%11%13([n]%14c%17c(ccc%14)ccc%14c%17[n]%11ccc%14)[n]%11c%14c(ccc%17ccc[n]%13c%14%17)ccc%11)(O%20)(O9)(O5)=O)P%12%18=[O]16[Mo](O[Cu]15([n]6c9c(ccc6)ccc6ccc[n]1c96)[n]1cccc6ccc9ccc[n]5c9c16)(O%15)(O2)(O%16)O7)(=O)O4)(O8)O3)=O)O%10)=O)=O)=O
• Title of publication: μ-Hexatriacontaoxophosphatododecamolybdato-bis[bis(1,10-phenanthroline)copper(II)]
• Authors of publication: Yun-Peng Bai; Enbo Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m526 - m528
• a: 25.975 ± 0.005 Å
• b: 11.545 ± 0.002 Å
• c: 23.286 ± 0.005 Å
• α: 90°
• β: 108.81 ± 0.03°
• γ: 90°
• Cell volume: 6610 ± 3 ų
• Cell temperature: 283 ± 2 K
• Ambient diffraction temperature: 283 ± 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: 0.0885
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes