Information card for entry 2209287

Structure parameters

• Chemical name: catena-poly[[(dipyrido[3,2-a:2',3'-c]phenazine)cadmium]-μ- benzene-1,3-dicarboxylato]
• Formula: C26 H14 Cd N4 O4
• Calculated formula: C26 H14 Cd N4 O4
• SMILES: [Cd]1234([n]5cccc6c7c(c8ccc[n]1c8c56)nc1ccccc1n7)[O]=C(c1cccc(c1)C(=O)[O-])O[Cd]1([n]5cccc6c7c(c8ccc[n]1c8c56)nc1ccccc1n7)[O]=C(c1cccc(c1)C1=[O][Cd]56(O1)([O]=C(c1cccc(c1)C(=[O]3)O4)O[Cd]1([n]3cccc4c7c(c8ccc[n]1c8c34)nc1ccccc1n7)[O]=C(c1cccc(c1)C(=O)[O-])O6)[n]1cccc3c4c(c6ccc[n]5c6c13)nc1ccccc1n4)O2
• Title of publication: A cadmium coordination polymer containing helical chains: <i>catena</i>-poly[[(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)cadmium]-μ-benzene-1,3-dicarboxylato]
• Authors of publication: Chuan-Bi Li; Wei Fang; Guang-Gang Gao; Bo Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1312 - m1314
• a: 15.467 ± 0.004 Å
• b: 14.971 ± 0.004 Å
• c: 18.847 ± 0.004 Å
• α: 90°
• β: 109.064 ± 0.005°
• γ: 90°
• Cell volume: 4124.8 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes