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Information card for entry 7045505
Preview
Coordinates | 7045505.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55 H79 B F20 N8 O2 Si6 Ti2 |
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Calculated formula | C55 H79 B F20 N8 O2 Si6 Ti2 |
SMILES | [Ti]123([O]=CO[Ti]456N([Si](C)(C)C)CC[N]6(CCN4[Si](C)(C)C)CCN5[Si](C)(C)C)N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C.Fc1c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F |
Title of publication | Formate complexes of titanium(iv) supported by a triamido-amine ligand. |
Authors of publication | Paparo, A.; van Krüchten, F D; Spaniol, T. P.; Okuda, J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 10 |
Pages of publication | 3530 - 3537 |
a | 11.2553 ± 0.0007 Å |
b | 27.0488 ± 0.0017 Å |
c | 23.3434 ± 0.0015 Å |
α | 90° |
β | 91.2981 ± 0.0013° |
γ | 90° |
Cell volume | 7104.9 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0655 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.0623 |
Weighted residual factors for all reflections included in the refinement | 0.0688 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.797 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7045505.html
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Users of the data should acknowledge the original authors of the
structural data.