Information card for entry 7115068

Structure parameters

• Chemical name: [1,3-benzenedicarboxylate-1,2-bis(4-pyridyl)ethane-zinc(II)] benzene solvate
• Formula: C35 H31 N2 O4 Zn
• Calculated formula: C35 H31 N2 O4 Zn
• Title of publication: Coexisting covalent and noncovalent nets: parallel interpenetration of a puckered rectangular coordination polymer and aromatic noncovalent nets
• Authors of publication: Lu, Jianjiang; Moulton, Brian; Zaworotko, Michael J.; Bourne, Susan A.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 861
• a: 9.6724 ± 0.001 Å
• b: 20.217 ± 0.002 Å
• c: 14.9774 ± 0.0015 Å
• α: 90°
• β: 93.545 ± 0.002°
• γ: 90°
• Cell volume: 2923.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.068
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 0.795
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No