Information card for entry 7706688

Structure parameters

• Formula: C62 H72 N10 Ni5 O20 S6
• Calculated formula: C62 H72 N10 Ni5 O20 S6
• Title of publication: Carboxylic acid-tuned nickel(ii) clusters: syntheses, structures, solution behaviours and magnetic properties.
• Authors of publication: Su, Yan-Min; Ji, Bao-Qian; Shao, Feng; Zhang, Shan-Shan; Jagodič, Marko; Jagličić, Zvonko; Gao, Zhi-Yong; Dou, Jian-Min; Sun, Di
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 4355 - 4362
• a: 13.897 ± 0.009 Å
• b: 14.25 ± 0.009 Å
• c: 21.731 ± 0.013 Å
• α: 106.518 ± 0.006°
• β: 95.516 ± 0.006°
• γ: 96.119 ± 0.006°
• Cell volume: 4066 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 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: 0.191
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.2162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No