Information card for entry 7005984

Structure parameters

• Formula: C50 H72 B4 Co2 N12 O3
• Calculated formula: C50 H72 B4 Co2 N12 O3
• Title of publication: Metallomacrocycles from ditopic chiral scorpionate ligands.
• Authors of publication: Zhang, Fan; Morawitz, Thorsten; Bieller, Susanne; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 40
• Pages of publication: 4594 - 4598
• a: 13.9069 ± 0.0012 Å
• b: 15.2037 ± 0.0012 Å
• c: 25.5526 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5402.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1195
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No