Information card for entry 2209217

Structure parameters

• Chemical name: catena-Poly[bis[[4-(1H-1,3,7,8-tetraazacyclopenta[l]phenanthren-2-yl)phenol- κ^2^N^7^,N^8^]cadmium(II)]-di-μ~3~-benzene-1,3-dicarboxylato- κ^4^O:O':O'',O''']
• Formula: C54 H32 Cd2 N8 O10
• Calculated formula: C54 H32 Cd2 N8 O10
• SMILES: C1(c2cccc(c2)C(=O)[O-])=[O][Cd]234([n]5cccc6c7c(c8ccc[n]2c8c56)[nH]c(c2ccc(cc2)O)n7)OC(c2cccc(c2)C2=[O][Cd]56(O2)([O]=C(c2cccc(c2)C(=[O]3)O4)O[Cd]2([n]3cccc4c7c(c8ccc[n]2c8c34)[nH]c(c2ccc(cc2)O)n7)[O]=C(c2cccc(c2)C(=O)[O-])O6)[n]2cccc3c4c(c6ccc[n]5c6c23)[nH]c(c2ccc(cc2)O)n4)=[O][Cd]2(O1)[n]1cccc3c4c(c5ccc[n]2c5c13)[nH]c(c1ccc(cc1)O)n4
• Title of publication: <i>catena</i>-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^]cadmium(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; Chun-Bo Liu; Yun-Cheng Cui; Chuan-Bi Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1362 - m1364
• a: 15.1504 ± 0.0012 Å
• b: 16.5593 ± 0.0013 Å
• c: 18.9423 ± 0.0015 Å
• α: 90°
• β: 110.274 ± 0.001°
• γ: 90°
• Cell volume: 4457.8 ± 0.6 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: 0.037
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes