Information card for entry 7040549

Structure parameters

• Formula: C40.8 H68.6 Cl9 N9 O3.7 Zn3
• Calculated formula: C40.8 H62 Cl9 N9 O4.5 Zn3
• Title of publication: Multinuclear Ni(ii), Cu(ii) and Zn(ii) complexes of chiral macrocyclic nonaazamine.
• Authors of publication: Löffler, Marta; Gregoliński, Janusz; Korabik, Maria; Lis, Tadeusz; Lisowski, Jerzy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 15586 - 15594
• a: 26.227 ± 0.008 Å
• b: 12.494 ± 0.003 Å
• c: 16.625 ± 0.004 Å
• α: 90°
• β: 92.55 ± 0.02°
• γ: 90°
• Cell volume: 5442 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No