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Information card for entry 1562915
Preview
Coordinates | 1562915.cif |
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Original paper (by DOI) | HTML |
Formula | C8 H24 F6 N2 Ti |
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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 Fobs | No |
Revision | Date | Message | Files |
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265546 (current) | 2021-05-27 | cif/ Adding structures of 1562915 via cif-deposit CGI script. |
1562915.cif |
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