Information card for entry 2211035

Structure parameters

• Chemical name: Poly[[(dipyrido[3,2-a:2',3'-c]phenazine)zinc(II)]-μ~3~-benzene-1,2- dicarboxylato]
• Formula: C26 H14 N4 O4 Zn
• Calculated formula: C26 H14 N4 O4 Zn
• SMILES: [Zn]123([n]4cccc5c4c4c(ccc[n]14)c1c5nc4ccccc4n1)[O]=C(c1ccccc1C(=O)O[Zn]14([n]5cccc6c5c5c(ccc[n]15)c1c6nc5ccccc5n1)[O]=C(c1ccccc1C(=O)O3)O[Zn]1([n]3cccc5c3c3c(ccc[n]13)c1c5nc3ccccc3n1)[O]=C(c1ccccc1C(=O)[O-])O4)O[Zn]1([n]3cccc4c3c3c(ccc[n]13)c1c4nc3ccccc3n1)[O]=C(c1ccccc1C(=O)[O-])O2
• Title of publication: Poly[[(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)zinc(II)]-μ~3~-benzene-1,2-dicarboxylato]
• Authors of publication: Shou-Cai Zhang; Jun Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3107 - m3109
• a: 5.8461 ± 0.0012 Å
• b: 10.884 ± 0.002 Å
• c: 16.607 ± 0.003 Å
• α: 89.79 ± 0.03°
• β: 80.44 ± 0.03°
• γ: 75.1 ± 0.03°
• Cell volume: 1006.1 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes