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Information card for entry 4110592
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Coordinates | 4110592.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound 2a |
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Formula | C181.63 H247.25 B2 Cl5.25 F48 P6 Rh6 |
Calculated formula | C181.63 H247.26 B2 Cl5.25 F48 P6 Rh6 |
Title of publication | High Hydride Count Rhodium Octahedra, [Rh6(PR3)6H12][BArF4]2: Synthesis, Structures, and Reversible Hydrogen Uptake under Mild Conditions |
Authors of publication | Simon K. Brayshaw; Michael J. Ingleson; Jennifer C. Green; J. Scott McIndoe; Paul R. Raithby; Gabriele Kociok-Köhn; Andrew S. Weller |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2006 |
Journal volume | 128 |
Pages of publication | 6247 - 6263 |
a | 69.5388 ± 0.0004 Å |
b | 20.4464 ± 0.0001 Å |
c | 27.8999 ± 0.0002 Å |
α | 90° |
β | 100.821 ± 0.001° |
γ | 90° |
Cell volume | 38963.2 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.105 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.1188 |
Weighted residual factors for all reflections included in the refinement | 0.1452 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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