Information card for entry 7115017

Structure parameters

• Formula: C41 H61 Cu2 N4 Ni4 O21.5
• Calculated formula: C41 H45 Cu2 N4 Ni4 O21.5
• Title of publication: Site-selectivity in a heterotetranuclear macrocyclic complex
• Authors of publication: Cromie, Sarah; McKee, Vickie; Launay, Frédéric
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 1918
• a: 24.1862 ± 0.0014 Å
• b: 20.1001 ± 0.0012 Å
• c: 13.9551 ± 0.0008 Å
• α: 90°
• β: 93.223 ± 0.001°
• γ: 90°
• Cell volume: 6773.5 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0886
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.2329
• Weighted residual factors for all reflections included in the refinement: 0.2459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.6941 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No