Information card for entry 7040548

Structure parameters

• Formula: C39.8 H70.6 Cl6 N9.4 Ni3 O6.2
• Calculated formula: C39.8 H70.6 Cl6 N9.4 Ni3 O6.2
• 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: 13.592 ± 0.005 Å
• b: 15.27 ± 0.007 Å
• c: 24.284 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5040 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1728
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No