Information card for entry 7103975

Structure parameters

• Formula: C60 H80 Br2 N6 O15 Zn
• Calculated formula: C60.01 H76 Br2 N6 O15 Zn
• Title of publication: Unusual structure of the dimeric 4-bromocalcimycin‒Zn^2+^ complex
• Authors of publication: Vila, Stéphane; Canet, Isabelle; Guyot, Jacques; Jeminet, Georges; Toupet, Loïc
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 516 - 517
• a: 15.4503 ± 0.0001 Å
• b: 15.4503 ± 0.0001 Å
• c: 52.1008 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12437.1 ± 0.15 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1635
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.2404
• Weighted residual factors for all reflections included in the refinement: 0.2763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No