Information card for entry 2209157

Structure parameters

• Chemical name: poly[[(2-phenyl-1<i>H</i>-1,3,7,8,- tetraazacyclopenta[<i>l</i>]phenanthrene)manganese(II)]- μ-benzene-1,3-dicarboxylato]
• Formula: C27 H16 Mn N4 O4
• Calculated formula: C27 H16 Mn N4 O4
• SMILES: [Mn]1234([n]5cccc6c5c5c(ccc[n]15)c1c6nc(c5ccccc5)[nH]1)[O]=C(O2)c1cc(ccc1)C(=O)O[Mn]12([n]5cccc6c5c5c(ccc[n]15)c1c6nc(c5ccccc5)[nH]1)[O]=C(O2)c1cc(ccc1)C(O3)=[O][Mn]123([n]5cccc6c5c5c(ccc[n]15)c1c6nc(c5ccccc5)[nH]1)[O]=[C](O4)c1cc(ccc1)C1=[O][Mn]4(O1)([n]1cccc5c1c1c(ccc[n]41)c1c5nc(c4ccccc4)[nH]1)OC(=O)c1cc(C(=[O]2)O3)ccc1
• Title of publication: A new Mn^II^ coordination polymer with a double-chain structure
• Authors of publication: Guang-Bo Che; Chun-Bo Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1453 - m1455
• a: 15.39 ± 0.005 Å
• b: 15.935 ± 0.005 Å
• c: 18.839 ± 0.005 Å
• α: 90°
• β: 109.328 ± 0.005°
• γ: 90°
• Cell volume: 4360 ± 2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes