Information card for entry 7200358

Structure parameters

• Formula: C10 H12 Mn O6
• Calculated formula: C10 H8 Mn O6
• 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: 9.836 ± 0.007 Å
• b: 6.149 ± 0.004 Å
• c: 8.882 ± 0.006 Å
• α: 90°
• β: 100.85 ± 0.015°
• γ: 90°
• Cell volume: 527.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No