Information card for entry 2206428

Structure parameters

• Chemical name: Diethanolaminium cyclo-octa-μ~2~-fluoro-hexadeca-μ~2~-trimethylacetato-κ^2^O:O'- heptachromium(III)nickel(II) ethyl acetate 0.5-solvate
• Formula: C86 H160 Cr7 F8 N Ni O35
• Calculated formula: C85.488 H155.47 Cr8 F8 N0.997 O35.494
• Title of publication: Diethanolaminium <i>cyclo</i>-octa-μ~2~-fluoro-hexadeca-μ~2~-trimethylacetato-κ^32^<i>O</i>:<i>O</i>'-heptachromium(III)nickel(II) ethyl acetate 0.5-solvate
• Authors of publication: Larsen, Finn K.; Muryn, Christopher A.; Overgaard, Jacob; Timco, Grigore A.; Winpenny, Richard E. P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1525 - m1527
• a: 24.9892 ± 0.0015 Å
• b: 16.622 ± 0.0009 Å
• c: 30.8299 ± 0.0019 Å
• α: 90°
• β: 110.506 ± 0.003°
• γ: 90°
• Cell volume: 11994.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1209
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2378
• Weighted residual factors for all reflections included in the refinement: 0.2577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes