Information card for entry 7045289

Structure parameters

• Formula: C56 H82 Cl Co2 Li N10 O4.5
• Calculated formula: C56 H82 Cl Co2 Li N10 O4.5
• 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: 15.3155 ± 0.0008 Å
• b: 15.2918 ± 0.0008 Å
• c: 25.7324 ± 0.0013 Å
• α: 90°
• β: 92.336 ± 0.002°
• γ: 90°
• Cell volume: 6021.6 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections: 0.2449
• Weighted residual factors for significantly intense reflections: 0.2187
• Weighted residual factors for all reflections included in the refinement: 0.2447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No