Information card for entry 7705667

Structure parameters

• Formula: C36 H48 B Br Co N4
• Calculated formula: C36 H48 B Br Co N4
• Title of publication: Magnetic anisotropy in square pyramidal cobalt(II) complexes supported by a tetraazo macrocyclic ligand.
• Authors of publication: Cui, Hui-Hui; Ding, Man-Man; Zhang, Xiu-Du; Lv, Wei; Zhang, Yi-Quan; Chen, Xue-Tai; Wang, Zhenxing; Ouyang, Zhong-Wen; Xue, Zi-Ling
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 42
• Pages of publication: 14837 - 14846
• a: 20.9569 ± 0.0016 Å
• b: 10.4803 ± 0.0008 Å
• c: 31.079 ± 0.002 Å
• α: 90°
• β: 92.093 ± 0.002°
• γ: 90°
• Cell volume: 6821.5 ± 0.9 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 2 K
• Number of distinct elements: 6
• 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: 0.098
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No