Information card for entry 7103010

Structure parameters

• Formula: C78.5 H158 Cr7 F12 N3 O24.5
• Calculated formula: C78.5 H156 Cr7 F12 N3 O24.5
• 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: 27.106 ± 0.002 Å
• b: 32.551 ± 0.003 Å
• c: 27.3129 ± 0.0019 Å
• α: 90°
• β: 93.509 ± 0.006°
• γ: 90°
• Cell volume: 24054 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1641
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.282
• Weighted residual factors for all reflections included in the refinement: 0.3243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No