Information card for entry 2211825

Structure parameters

• Chemical name: catena-Poly[[[(dipyrido[3,2-a:2',3'-c]phenazine)zinc(II)]-μ-benzene-1,4- dicarboxylato] dipyrido[3,2-a:2',3'-c]phenazine 0.67-solvate]
• Formula: C114 H62 N20 O12 Zn3
• Calculated formula: C114 H62 N20 O12 Zn3
• SMILES: [Zn]12([n]3c4c5[n]1cccc5c1nc5c(nc1c4ccc3)cccc5)[O]=C(O2)c1ccc(cc1)C1=[O][Zn]23(O1)([n]1c4c5[n]3cccc5c3nc5c(nc3c4ccc1)cccc5)[O]=C(O2)c1ccc(cc1)C(=O)[O-].n1c2c(c3nc4c(nc3c3c2nccc3)cccc4)ccc1
• Title of publication: <i>catena</i>-Poly[[[(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)zinc(II)]-μ-benzene-1,4-dicarboxylato] dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine 0.67-solvate]
• Authors of publication: Chuan-Bi Li; Wei Fang; En-Jie Dong; Bo Liu; Yan-Wei Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m150 - m152
• a: 18.474 ± 0.002 Å
• b: 28.718 ± 0.004 Å
• c: 19.019 ± 0.002 Å
• α: 90°
• β: 116.092 ± 0.002°
• γ: 90°
• Cell volume: 9062 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1654
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 0.708
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes