Information card for entry 7028500

Structure parameters

• Formula: C70 H100 Cl2 N6 Ni3 O4 S3
• Calculated formula: C69.5625 H96 Cl1.125 N6 Ni3 O3.3125 S3
• Title of publication: A streamlined synthesis of extended thiophloroglucinol ligands and their trinuclear Ni(II)3 complexes.
• Authors of publication: Feldscher, Bastian; Theil, Hubert; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 4102 - 4114
• a: 24.7936 ± 0.0005 Å
• b: 24.7936 ± 0.0005 Å
• c: 89.645 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 47724 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No