Information card for entry 7200361

Structure parameters

• Formula: C20 H18 Cd N2 O5
• Calculated formula: C20 H16 Cd N2 O5
• 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: 9.814 ± 0.003 Å
• b: 10.545 ± 0.003 Å
• c: 10.595 ± 0.003 Å
• α: 112.508 ± 0.006°
• β: 106.884 ± 0.011°
• γ: 96.478 ± 0.004°
• Cell volume: 937.6 ± 0.5 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: 0.1003
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No