Information card for entry 7046048

Structure parameters

• Formula: C90 H165 Cr6 F7 N2 O34 S Th
• Calculated formula: C90 H165 Cr6 F7 N2 O34 S Th
• Title of publication: Chromium chains as polydentate fluoride ligands for actinides and group IV metals.
• Authors of publication: Leng, Ji-Dong; Kostopoulos, Andreas K.; Isherwood, Liam H.; Ariciu, Ana-Maria; Tuna, Floriana; Vitórica-Yrezábal, Iñigo J; Pritchard, Robin G.; Whitehead, George F. S.; Timco, Grigore A.; Mills, David P.; Winpenny, Richard E. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 18
• Pages of publication: 6361 - 6369
• a: 35.4782 ± 0.0004 Å
• b: 29.7042 ± 0.0003 Å
• c: 24.7842 ± 0.0004 Å
• α: 90°
• β: 105.478 ± 0.0014°
• γ: 90°
• Cell volume: 25171.7 ± 0.6 ų
• Cell temperature: 150.02 ± 0.1 K
• Ambient diffraction temperature: 150.02 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No