Information card for entry 7046044

Structure parameters

• Formula: C88 H165 Cr7 F6 N O34.5 Ti
• Calculated formula: C88 H165 Cr7 F6 N O34.5 Ti
• 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: 25.3319 ± 0.0014 Å
• b: 16.6836 ± 0.0008 Å
• c: 31.1 ± 0.0014 Å
• α: 90°
• β: 99.847 ± 0.005°
• γ: 90°
• Cell volume: 12950.1 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• 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: 0.1757
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2603
• Weighted residual factors for all reflections included in the refinement: 0.3268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No