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Information card for entry 4109013
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4109013.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound 5b |
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Formula | C62.5 H43 B2 Cl5 F30 N Tl |
Calculated formula | C62.5 H42 B2 Cl5 F30 N Tl |
Title of publication | Thallium(I) Sandwich, Multidecker, and Ether Complexes Stabilized by Weakly-Coordinating Anions: A Spectroscopic, Structural, and Theoretical Investigation |
Authors of publication | Yann Sarazin; David L. Hughes; Nikolas Kaltsoyannis; Joseph A. Wright; Manfred Bochmann |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 881 - 894 |
a | 12.2427 ± 0.0005 Å |
b | 13.9012 ± 0.0004 Å |
c | 19.1784 ± 0.0006 Å |
α | 84.244 ± 0.002° |
β | 86.754 ± 0.003° |
γ | 87.66 ± 0.003° |
Cell volume | 3240.24 ± 0.19 Å3 |
Cell temperature | 140 ± 1 K |
Ambient diffraction temperature | 140 ± 1 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0434 |
Residual factor for significantly intense reflections | 0.0319 |
Weighted residual factors for significantly intense reflections | 0.0729 |
Weighted residual factors for all reflections included in the refinement | 0.0753 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mo-Kα |
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/4109013.html
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Users of the data should acknowledge the original authors of the
structural data.