Information card for entry 7031603

Structure parameters

• Formula: C52 H28 Co2 F12 N4 O8 S
• Calculated formula: C52 H28 Co2 F12 N4 O8 S
• Title of publication: Syntheses, crystal structures, and optical properties of five metal complexes constructed from a V-shaped thiophene-containing ligand and different dicarboxylate ligands.
• Authors of publication: Shi, Zhi-Qiang; Guo, Zi-Jian; Zheng, He-Gen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 35
• Pages of publication: 13250 - 13258
• a: 16.3754 ± 0.0008 Å
• b: 7.4218 ± 0.0004 Å
• c: 23.9485 ± 0.001 Å
• α: 90°
• β: 116.683 ± 0.003°
• γ: 90°
• Cell volume: 2600.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No