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Information card for entry 1560116
Preview
Coordinates | 1560116.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H32 Cl5 N4 Ti2 |
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Calculated formula | C12 H32 Cl5 N4 Ti2 |
SMILES | [Ti]1234([Ti]5(Cl)([Cl]1)([Cl]2)([Cl]3)[N](C)(C)CC[N]5(C)C)(Cl)[N](C)(C)CC[N]4(C)C |
Title of publication | Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex |
Authors of publication | Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko |
Journal of publication | Chemical Science |
Year of publication | 2021 |
Journal volume | 12 |
Journal issue | 10 |
Pages of publication | 3509 - 3515 |
a | 19.796 ± 0.005 Å |
b | 8.413 ± 0.002 Å |
c | 13.102 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2182.1 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0559 |
Residual factor for significantly intense reflections | 0.0507 |
Weighted residual factors for significantly intense reflections | 0.1171 |
Weighted residual factors for all reflections included in the refinement | 0.1223 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1560116.html
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