Information card for entry 2209677

Structure parameters

• Chemical name: Poly[bis[[4-(1H-1,3,7,8-tetraazacyclopenta[l]phenanthren-2-yl)phenol- κ^2^N^7^,N^8^]manganese(II)]-di-μ~3~-benzene-1,3-dicarboxylato- κ^4^O:O':O'',O''']
• Formula: C27 H16 Mn N4 O5
• Calculated formula: C27 H16 Mn N4 O5
• SMILES: [Mn]123([n]4cccc5c4c4c(ccc[n]14)c1c5[nH]c(c4ccc(cc4)O)n1)(OC(=[O]1)c4cccc(C(=O)[O-])c4)[O]=C(O[Mn]41[n]1cccc5c1c1c(ccc[n]41)c1c5[nH]c(c4ccc(cc4)O)n1)c1cccc(c1)C1=[O][Mn]45(O1)([n]1cccc6c1c1c(ccc[n]51)c1c6[nH]c(c5ccc(cc5)O)n1)OC(c1cccc(C(=O)[O-])c1)=[O][Mn]1([n]5cccc6c5c5c(ccc[n]15)c1c6[nH]c(c5ccc(cc5)O)n1)OC(=[O]4)c1cccc(C(=[O]2)O3)c1
• Title of publication: Poly[bis[[4-(1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthren-2-yl)phenol-κ^2^<i>N</i>^7^,<i>N</i>^8^]manganese(II)]-di-μ~3~-benzene-1,3-dicarboxylato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'',<i>O</i>''']
• Authors of publication: Guang-Bo Che
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1686 - m1688
• a: 15.318 ± 0.003 Å
• b: 16.453 ± 0.003 Å
• c: 18.66 ± 0.004 Å
• α: 90°
• β: 109.78 ± 0.03°
• γ: 90°
• Cell volume: 4425.4 ± 1.7 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: 0.127
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes