Information card for entry 2216468

Structure parameters

• Chemical name: catena-Poly[[(dipyrido[3,2-a:2',3'-c]phenazine)cadmium(II)]- μ-biphenyl-2,2'-dicarboxylato]
• Formula: C32 H18 Cd N4 O4
• Calculated formula: C32 H18 Cd N4 O4
• SMILES: [Cd]123([n]4c5c(c6nc7c(nc6c6c5[n]1ccc6)cccc7)ccc4)([O]=C(O2)c1ccccc1c1c(cccc1)C(=O)[O-])[O]=C(c1c(c2c(C4=[O][Cd]5([n]6c7c(c8nc9c(nc8c8c7[n]5ccc8)cccc9)ccc6)O4)cccc2)cccc1)O3
• Title of publication: <i>catena</i>-Poly[[(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)cadmium(II)]-μ-biphenyl-2,2'-dicarboxylato]
• Authors of publication: Xiang-Jun Jin; Wei Fang; Xiao-Ping Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2877 - m2877
• a: 9.4547 ± 0.001 Å
• b: 12.4137 ± 0.0013 Å
• c: 22.015 ± 0.002 Å
• α: 90°
• β: 100.414 ± 0.002°
• γ: 90°
• Cell volume: 2541.3 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes