Information card for entry 2237418

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[triaqua[3-(4-carboxyphenoxy)phthalato- κ<i>O</i>^2^]manganese(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4,4'-bipyridine monosolvate dihydrate]
• Formula: C35 H34 Mn N4 O12
• Calculated formula: C35 H34 Mn N4 O12
• SMILES: [Mn]([n]1ccc(cc1)c1ccncc1)([n]1ccc(cc1)c1cc[n](cc1)[Mn](OC(=O)c1c(C(=O)[O-])cccc1Oc1ccc(cc1)C(=O)O)([OH2])([OH2])[OH2])(OC(=O)c1c(C(=O)[O-])cccc1Oc1ccc(cc1)C(=O)O)([OH2])([OH2])[OH2].n1ccc(cc1)c1ccncc1.O.O.n1ccc(cc1)c1ccncc1.O.O
• Title of publication: <i>catena</i>-Poly[[[triaqua[3-(4-carboxyphenoxy)phthalato-κ<i>O</i>^2^]manganese(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4,4'-bipyridine monosolvate dihydrate]
• Authors of publication: Sun, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: m124
• a: 10.765 ± 0.001 Å
• b: 11.883 ± 0.002 Å
• c: 14.574 ± 0.001 Å
• α: 110.275 ± 0.003°
• β: 95.028 ± 0.001°
• γ: 94.97 ± 0.001°
• Cell volume: 1728.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes