Information card for entry 7049028

Structure parameters

• Formula: C67 H67 B2 Fe N5 O2
• Calculated formula: C67 H67 B2 Fe N5 O2
• Title of publication: Synthesis and magnetic studies of pentagonal bipyramidal metal complexes of Fe, Co and Ni.
• Authors of publication: Deng, Yi-Fei; Yao, Binling; Zhan, Peng-Zhi; Gan, Dexuan; Zhang, Yuan-Zhu; Dunbar, Kim R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 3243 - 3248
• a: 16.397 ± 0.003 Å
• b: 19.194 ± 0.004 Å
• c: 17.667 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5560 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No