Information card for entry 2209199

Structure parameters

• Chemical name: catena-Poly[[[4-(1H-1,3,7,8-tetraazacyclopenta[l]phenanthren-2- yl)phenol]manganese(II)]-μ-benzene-1,4-dicarboxylato]
• Formula: C46 H28 Mn N8 O6
• Calculated formula: C46 H28 Mn N8 O6
• SMILES: [O-]C(=O)c1ccc(cc1)C(=O)O[Mn]12([n]3cccc4c3c3[n]1cccc3c1[nH]c(nc41)c1ccc(O)cc1)([n]1cccc3c1c1[n]2cccc1c1[nH]c(nc31)c1ccc(O)cc1)OC(=O)c1ccc(cc1)C(=O)O[Mn]12([n]3cccc4c3c3[n]1cccc3c1[nH]c(nc41)c1ccc(O)cc1)[n]1cccc3c1c1[n]2cccc1c1[nH]c(nc31)c1ccc(O)cc1
• Title of publication: <i>catena</i>-Poly[[[4-(1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthren-2-yl)phenol]manganese(II)]-μ-benzene-1,4-dicarboxylato]
• Authors of publication: Guang-Bo Che; Xian-Feng Lin; Chun-Bo Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1456 - m1458
• a: 9.1936 ± 0.0018 Å
• b: 10.515 ± 0.002 Å
• c: 11.056 ± 0.002 Å
• α: 61.77 ± 0.03°
• β: 78.55 ± 0.03°
• γ: 75.9 ± 0.03°
• Cell volume: 908.9 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes