Information card for entry 1100155

Structure parameters

• Formula: C35 H46 Cl2 I N3 Ni O2
• Calculated formula: C24.6667 Cl2.66667 I0.666667 N2 Ni0.666667
• a: 12.78 ± 0.02 Å
• b: 17.04 ± 0.03 Å
• c: 19.13 ± 0.05 Å
• α: 90°
• β: 104.82 ± 0.02°
• γ: 90°
• Cell volume: 4027.5 ± 1.4 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.346
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No