Information card for entry 7114233

Structure parameters

• Formula: C182 H202 Cl7 N20 Ni10 O33
• Calculated formula: C163 H124 Cl7 N13 Ni10 O31
• Title of publication: Octanuclear cobalt and nickel cages featuring formate ligands
• Authors of publication: Cadiou, Cyril; Coxall, Robert A.; Graham, Alasdair; Harrison, Andrew; Helliwell, Madeleine; Parsons, Simon; Winpenny, Richard E. P.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 1106
• a: 18.3048 ± 0.0014 Å
• b: 18.7041 ± 0.0015 Å
• c: 27.2303 ± 0.0012 Å
• α: 88.149 ± 0.002°
• β: 76.965 ± 0.001°
• γ: 71.033 ± 0.001°
• Cell volume: 8581.1 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No