Information card for entry 7103008

Structure parameters

• Formula: C215 H402.5 Cr25 F50 N6.5 Na14 O87
• Calculated formula: C215 H388.5 Cr25 F50 N6.5 Na14 O87
• Title of publication: Chemistry and supramolecular chemistry of chromium horseshoes.
• Authors of publication: Rancan, Marzio; Newton, Graham N; Muryn, Christopher A; Pritchard, Robin G; Timco, Grigore A; Cronin, Leroy; Winpenny, Richard E P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 13
• Pages of publication: 1560 - 1562
• a: 23.4569 ± 0.0011 Å
• b: 20.8495 ± 0.001 Å
• c: 41.501 ± 0.002 Å
• α: 90°
• β: 104.13 ± 0.001°
• γ: 90°
• Cell volume: 19682.6 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1818
• Residual factor for significantly intense reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.2531
• Weighted residual factors for all reflections included in the refinement: 0.3007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No