Crystallography Open Database

Information card for entry 1562915

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Coordinates	1562915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H24 F6 N2 Ti
Calculated formula	C8 H23.94 F6 N2 Ti
Title of publication	Centrosymmetric [N(CH3)4]2TiF6 vs. noncentrosymmetric polar [C(NH2)3]2TiF6: A hydrogen-bonding effect on the out-of-center distortion of TiF6 octahedra
Authors of publication	Kim, Eun-ah; Lee, Dong Woo; Ok, Kang Min
Journal of publication	Journal of Solid State Chemistry
Year of publication	2012
Journal volume	195
Pages of publication	149 - 154
a	7.9501 ± 0.0003 Å
b	7.9501 ± 0.0003 Å
c	19.8668 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	1087.44 ± 0.1 Å³
Cell temperature	200 ± 0.2 K
Ambient diffraction temperature	200 ± 0.2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1357
Goodness-of-fit parameter for all reflections included in the refinement	1.303
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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