Information card for entry 7028497

Structure parameters

• Formula: C111 H132 B3 N9 Ni3 O3 S3
• Calculated formula: C102 H114 B3 N9 Ni3 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: 17.7065 ± 0.0011 Å
• b: 33.162 ± 0.002 Å
• c: 17.0365 ± 0.001 Å
• α: 90°
• β: 90.034 ± 0.003°
• γ: 90°
• Cell volume: 10003.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0773
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No