Information card for entry 2231572

Structure parameters

• Common name: Mo2(OOCC6F5)4(C10H8N2)
• Chemical name: <i>catena</i>-Poly[[tetrakis(μ-pentafluorobenzoato- κ^2^<i>O</i>:<i>O'</i>)dimolybdenum(II)]-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N'</i>]
• Formula: C38 H8 F20 Mo2 N2 O8
• Calculated formula: C38 H8 F20 Mo2 N2 O8
• SMILES: [Mo]1234OC(c5c(c(c(c(c5F)F)F)F)F)=[O][Mo]4([O]=C(O2)c2c(c(c(c(c2F)F)F)F)F)(OC(=[O]3)c2c(c(c(c(c2F)F)F)F)F)(OC(c2c(c(F)c(c(c2F)F)F)F)=[O]1)[n]1ccc(cc1)c(cc1)cc[n]1[Mo]1234OC(c5c(c(c(c(c5F)F)F)F)F)=[O][Mo]4([O]=C(O2)c2c(c(c(c(c2F)F)F)F)F)(OC(=[O]3)c2c(c(c(c(c2F)F)F)F)F)(OC(c2c(c(F)c(c(c2F)F)F)F)=[O]1)[n]1ccc(cc1)c1ccncc1
• Title of publication: <i>catena</i>-Poly[[tetrakis(μ-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>')dimolybdenum(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Han, Li-Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1235 - m1236
• a: 8.8858 ± 0.0008 Å
• b: 9.9311 ± 0.0009 Å
• c: 11.1978 ± 0.001 Å
• α: 101.158 ± 0.001°
• β: 94.697 ± 0.001°
• γ: 99.092 ± 0.001°
• Cell volume: 950.83 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0262
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes