Information card for entry 7200359

Structure parameters

• Formula: C20 H18 N2 O5 Zn
• Calculated formula: C20 H16 N2 O5 Zn
• Title of publication: Conformation control of a flexible 1,4-phenylenediacetate ligand in coordination complexes: a rigidity-modulated strategy
• Authors of publication: Liu, Tianfu; Lü, Jian; Shi, Linxi; Guo, Zhengang; Cao, Rong
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 583
• a: 9.7 ± 0.004 Å
• b: 10.47 ± 0.005 Å
• c: 10.5 ± 0.005 Å
• α: 113.98 ± 0.004°
• β: 96.83 ± 0.004°
• γ: 105.56 ± 0.002°
• Cell volume: 906.6 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0968
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.2047
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No