Information card for entry 7115134

Structure parameters

• Formula: C83.5 H155 Cl3.5 Cr12 O53
• Calculated formula: C80 H148 Cr12 O52
• Title of publication: A novel dodecanuclear chromium(iii) cage: structural control by choice of leaving group
• Authors of publication: Parsons, Simon; Smith, Andrew A.; Winpenny, Richard E. P.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 579
• a: 16.77 ± 0.005 Å
• b: 17.049 ± 0.006 Å
• c: 24.405 ± 0.009 Å
• α: 88.12 ± 0.03°
• β: 85.11 ± 0.03°
• γ: 69.756 ± 0.015°
• Cell volume: 6523 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1918
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.2196
• Weighted residual factors for all reflections included in the refinement: 0.2644
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No