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Information card for entry 2006665
Preview
Coordinates | 2006665.cif |
---|---|
Original IUCr paper | HTML |
Formula | C48 H44 B F4 P2 Rh |
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Calculated formula | C48 H44 B F4 P2 Rh |
SMILES | [Rh]1([P]([C@@H]2C3c4ccccc4C([C@H]2[P]1(c1ccccc1)c1ccccc1)c1ccccc31)(c1ccccc1)c1ccccc1)([CH]12)([CH]=1CC3)([CH]31)[CH]=1CC2.[B](F)(F)(F)[F-] |
Title of publication | [(1,2,5,6-η)-1,5-Cyclooctadiene][(11<i>R</i>,12<i>R</i>)-9,10-dihydro-9,10-ethanoanthracene-11,12-bis(diphenylphosphino-<i>P</i>)]rhodium(I) Tetrafluoroborate |
Authors of publication | Fu, Tai Y.; Liu, Zhaoqing; Rettig, Steven J.; Scheffer, John R.; Trotter, James |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 11 |
Pages of publication | 1577 - 1579 |
a | 10.158 ± 0.0002 Å |
b | 10.158 ± 0.0002 Å |
c | 39.7543 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4102.05 ± 0.13 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 K |
Number of distinct elements | 6 |
Space group number | 76 |
Hermann-Mauguin space group symbol | P 41 |
Hall space group symbol | P 4w |
Residual factor for all reflections | 0.08 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for all reflections | 0.086 |
Weighted residual factors for all reflections included in the refinement | 0.086 |
Goodness-of-fit parameter for all reflections | 2.51 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.51 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.