Information card for entry 2228430

Structure parameters

• Chemical name: Poly[(μ~3~-biphenyl-3,4'-dicarboxylato- κ^4^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^4'^,<i>O</i>^4''^)(1<i>H</i>- imidazo[4,5-<i>f</i>][1,10]phenanthroline- κ^2^<i>N</i>^7^,<i>N</i>^8^)manganese(II)]
• Formula: C27 H16 Mn N4 O4
• Calculated formula: C27 H16 Mn N4 O4
• SMILES: [Mn]1234([n]5cccc6c7c(c8ccc[n]1c8c56)[nH]cn7)[O]=C(c1ccc(c5cccc(C(=O)[O-])c5)cc1)O[Mn]1([n]5cccc6c7c(c8ccc[n]1c8c56)[nH]cn7)[O]=C(c1ccc(c5cccc(C6=[O][Mn]78(O6)([O]=C(c6ccc(c9cccc(C(=[O]3)O4)c9)cc6)O[Mn]3([n]4cccc6c9c(c%10ccc[n]3c%10c46)[nH]cn9)[O]=C(c3ccc(c4cccc(C(=O)[O-])c4)cc3)O8)[n]3cccc4c6c(c8ccc[n]7c8c34)[nH]cn6)c5)cc1)O2
• Title of publication: Poly[(μ~3~-biphenyl-3,4'-dicarboxylato-κ^4^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^4'^,<i>O</i>^4''^)(1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^7^,<i>N</i>^8^)manganese(II)]
• Authors of publication: Wang, Fu-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1677
• a: 8.0634 ± 0.0013 Å
• b: 11.705 ± 0.002 Å
• c: 22.807 ± 0.004 Å
• α: 90°
• β: 94.307 ± 0.002°
• γ: 90°
• Cell volume: 2146.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes