Information card for entry 7045287

Structure parameters

• Formula: C111 H149 Co4 N25 O4
• Calculated formula: C111 H149 Co4 N25 O4
• Title of publication: Dehydrohalogenation of proton responsive complexes: versatile aggregation via pyrazolate pincer ligand arms.
• Authors of publication: Cook, Brian J.; Chen, Chun-Hsing; Pink, Maren; Caulton, Kenneth G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 6
• Pages of publication: 2052 - 2060
• a: 17.2926 ± 0.001 Å
• b: 23.7807 ± 0.0014 Å
• c: 28.6217 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11770.1 ± 1.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections: 0.1433
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9725
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No