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Information card for entry 4301074
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4301074.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Ti4L6 Et4N cluster |
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Formula | C182 H111 N17.5 O36 Ti4 |
Calculated formula | C182 H111 N17.5 O36 Ti4 |
Title of publication | Structural Consequences of Anionic Host-Cationic Guest Interactions in a Supramolecular Assembly |
Authors of publication | Michael D. Pluth; Darren W. Johnson; Géza Szigethy; Anna V. Davis; Simon J. Teat; Allen G. Oliver; Robert G. Bergman; Kenneth N. Raymond |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 111 - 120 |
a | 20.844 ± 0.003 Å |
b | 20.844 ± 0.003 Å |
c | 163.55 ± 0.05 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 61538 ± 2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 167 |
Hermann-Mauguin space group symbol | R -3 c :H |
Hall space group symbol | -R 3 2"c |
Residual factor for all reflections | 0.1703 |
Residual factor for significantly intense reflections | 0.1594 |
Weighted residual factors for significantly intense reflections | 0.4533 |
Weighted residual factors for all reflections included in the refinement | 0.4669 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.161 |
Diffraction radiation wavelength | 0.7749 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4301074.html
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Users of the data should acknowledge the original authors of the
structural data.