Information card for entry 4337197

Structure parameters

• Formula: C104 H154 Cl2 N66 Ni9 O16
• Calculated formula: C104 H150 Cl2 N66 Ni9 O15.98
• Title of publication: Anionic guests in prismatic cavities generated by enneanuclear nickel metallacycles.
• Authors of publication: Esteban, Jordi; Font-Bardia, Mercè; Escuer, Albert
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 1113 - 1121
• a: 17.792 ± 0.0005 Å
• b: 17.792 ± 0.0005 Å
• c: 72.826 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19964.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No