Information card for entry 2232279

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aqua(1,10-phenanthroline)manganese(II)]- μ-adamantane-1,3-dicarboxylato] monohydrate]
• Formula: C24 H26 Mn N2 O6
• Calculated formula: C24 H26 Mn N2 O6
• SMILES: [Mn]12([O]=C(O1)C13CC4(CC(C3)CC(C4)C1)C(=O)[O-])([OH2])([n]1c3c4[n]2cccc4ccc3ccc1)OC(=O)C12CC3(C4=[O][Mn]5(O4)([OH2])[n]4c6c7[n]5cccc7ccc6ccc4)CC(C2)CC(C1)C3.O.O
• Title of publication: <i>catena</i>-Poly[[[aqua(1,10-phenanthroline)manganese(II)]-μ-adamantane-1,3-dicarboxylato] monohydrate]
• Authors of publication: Liu, Jian-Qiang; Huang, Yun-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1541 - m1542
• a: 13.248 ± 0.002 Å
• b: 18.345 ± 0.003 Å
• c: 9.3908 ± 0.0017 Å
• α: 90°
• β: 105.283 ± 0.003°
• γ: 90°
• Cell volume: 2201.6 ± 0.6 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: 0.0702
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes