Information card for entry 7115073

Structure parameters

• Chemical name: [1,3-benzenedicarboxylate-1,2-bis(4-pyridyl)ethane-zinc(II)] dichloromethane solvate
• Formula: C10.5 H9 Cl N O2 Zn0.5
• Calculated formula: C10.5 H9 Cl N O2 Zn0.5
• 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: 10.02 ± 0.001 Å
• b: 15.1945 ± 0.0015 Å
• c: 13.6885 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2084.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No