Information card for entry 7027048

Structure parameters

• Chemical name: bisβis(1-ethyl-2,3,4,5-tetramethyl- 2,4-cyclopentadien-1-il)tri-m-fluorotetrafluorodititanato(IV)-F,F',F'', F'''ηexamethylphosphoramidecalcium
• Formula: C50 H86 Ca F14 N3 O P Ti4
• Calculated formula: C100 H172 Ca2 F28 N6 O2 P2 Ti8
• Title of publication: Calcium fluoride incorporated in soluble organometallics: adduct formation and solution dynamics
• Authors of publication: Demsar, Alojz; Pevec, Andrej; Petriček, Saša; Golič, Ljubo; Petrič, Andrej; Björgvinsson, Már; Roesky, Herbert W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 23
• Pages of publication: 4043
• a: 27.768 ± 0.002 Å
• b: 21.176 ± 0.002 Å
• c: 22.747 ± 0.002 Å
• α: 90°
• β: 113 ± 0.007°
• γ: 90°
• Cell volume: 12312.3 ± 1.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.198
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for all reflections: 4.817
• Goodness-of-fit parameter for significantly intense reflections: 0.999
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No