Crystallography Open Database





Information card for 4114433

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Coordinates

4114433.cif

Structure parameters

Formula - C11 H10 F4 Ti -
Calculated formula - C11 H10 F4 Ti -
Title of publication Early Transition-Metal Perfluoroalkyl Complexes
Authors of publication Felicia L. Taw; Brian L. Scott; Jaqueline L. Kiplinger
Journal of publication Journal of the American Chemical Society
Year of publication 2003
Journal volume 125
Pages of publication 14712 - 14713
a 7.78 ± 0.003 Å
b 16.761 ± 0.006 Å
c 16.121 ± 0.006 Å
α 90°
β 93.788 ± 0.006°
γ 90°
Cell volume 2097.6 ± 1.4 Å3
Cell temperature 203 ± 2 K
Ambient diffraction temperature 203 ± 2 K
Number of distinct elements 4
Hermann-Mauguin symmetry space group P 1 21/c 1
Hall symmetry space group -P 2ybc
Residual factor for all reflections 0.0417
Residual factor for observed reflections 0.0373
Weighted residual factors for the observed reflections 0.0995
Weighted residual factors for all reflections included in the refinement 0.1007
Goodness-of-fit parameter for observed reflections 1.818
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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