Information card for entry 7032292

Structure parameters

• Formula: C26 H18 N4 Ni O5 S
• Calculated formula: C26 H18 N4 Ni O5 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: 10.1634 ± 0.0008 Å
• b: 11.7309 ± 0.0011 Å
• c: 13.7734 ± 0.0011 Å
• α: 108.547 ± 0.001°
• β: 97.004 ± 0.001°
• γ: 107.98 ± 0.001°
• Cell volume: 1436 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7031602
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No