Information card for entry 2235355

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaqua(1,10-phenanthroline) manganese]-μ-3-[3-(carboxylatomethoxy)phenyl]acrylato] monohydrate
• Formula: C23 H22 Mn N2 O8
• Calculated formula: C23 H20 Mn N2 O8
• SMILES: [Mn]1([n]2cccc3c2c2c(cc3)ccc[n]12)(OC(=O)COc1cc(ccc1)/C=C/C(=O)[O-])([OH2])([OH2])OC(=O)/C=C/c1cc(ccc1)OCC(=O)O[Mn]1([n]2cccc3c2c2c(cc3)ccc[n]12)([OH2])[OH2].O.O
• Title of publication: <i>catena</i>-Poly[[[diaqua(1,10-phenanthroline)manganese]-μ-3-[3-(carboxylatomethoxy)phenyl]acrylato] monohydrate]
• Authors of publication: Ji, Jun; Yang, Yuan-Fa; Wen, Yi-Hang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m912 - m913
• a: 12.8455 ± 0.0004 Å
• b: 21.5944 ± 0.0007 Å
• c: 8.2681 ± 0.0003 Å
• α: 90°
• β: 93.712 ± 0.002°
• γ: 90 ± 0.002°
• Cell volume: 2288.68 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 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 significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No