Information card for entry 7037353

Structure parameters

• Formula: C36 H50 Cl2 Mn2 N6 O18
• Calculated formula: C36 H50 Cl2 Mn2 N6 O18
• Title of publication: Metallamacrocycle formation through dimerization of metal bioconjugates derived from amino acids and peptides.
• Authors of publication: Álvarez, Celedonio M; García-Rodríguez, Raúl; Miguel, Daniel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 963 - 972
• a: 13.104 ± 0.004 Å
• b: 28.519 ± 0.009 Å
• c: 13.023 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4867 ± 3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.2059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No