Information card for entry 7045290

Structure parameters

• Formula: C138 H164 Co5 N30
• Calculated formula: C138 H164 Co5 N30
• 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: 39.4116 ± 0.0019 Å
• b: 16.2047 ± 0.0009 Å
• c: 22.1375 ± 0.0011 Å
• α: 90°
• β: 105.412 ± 0.003°
• γ: 90°
• Cell volume: 13629.8 ± 1.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections: 0.1863
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9681
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No