Information card for entry 2205859

Structure parameters

• Chemical name: catena-Poly[[[aqua(1,10-phenanthroline)manganese(II)]-μ-endo-norbornene- cis-5,6-dicarboxylato] monohydrate]
• Formula: C21 H20 Mn N2 O6
• Calculated formula: C21 H20 Mn N2 O6
• SMILES: [Mn]12(OC(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]3C(=O)[O-])C4)([OH2])([n]3cccc4ccc5ccc[n]1c5c34)[O]=C(O2)[C@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)O[Mn]1([OH2])[n]3cccc4ccc5ccc[n]1c5c34)C2.O.O
• Title of publication: <i>catena</i>-Poly[[[aqua(1,10-phenanthroline)manganese(II)]-μ-<i>endo</i>-norbornene-<i>cis</i>-5,6-dicarboxylato] monohydrate]
• Authors of publication: Mao-Lin Hu; Nan-Wen Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1105 - m1107
• a: 10.941 ± 0.003 Å
• b: 9.135 ± 0.002 Å
• c: 20.013 ± 0.004 Å
• α: 90°
• β: 103.605 ± 0.004°
• γ: 90°
• Cell volume: 1944.1 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes