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Information card for entry 1518250
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Coordinates | 1518250.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Complex 4 |
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Formula | C95 H110 B Cl9 F20 N6 Nb2 |
Calculated formula | C95 H110 B Cl8 F20 N6 Nb2 |
Title of publication | Electron localization in a mixed-valence diniobium benzene complex |
Authors of publication | Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John |
Journal of publication | Chem. Sci. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 2 |
Pages of publication | 993 |
a | 20.744 ± 0.002 Å |
b | 20.888 ± 0.002 Å |
c | 22.683 ± 0.003 Å |
α | 90° |
β | 90.709 ± 0.002° |
γ | 90° |
Cell volume | 9827.8 ± 1.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0288 |
Residual factor for significantly intense reflections | 0.0257 |
Weighted residual factors for significantly intense reflections | 0.062 |
Weighted residual factors for all reflections included in the refinement | 0.0646 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1518250.html
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