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Information card for entry 2204028
Preview
Coordinates | 2204028.cif |
---|---|
Structure factors | 2204028.hkl |
Original IUCr paper | HTML |
Chemical name | (bis{[2-(diethylphosphino- κP)ethyl]phenylphosphino}methane)dichloro[]rhodium(III) tetrafluoroborate acetone solvate |
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Formula | C28 H46 B Cl2 F4 O P4 Rh |
Calculated formula | C28 H46 B Cl2 F4 O P4 Rh |
SMILES | [Rh]123(Cl)(Cl)[P](CC[P]1(C[P]2(CC[P]3(CC)CC)c1ccccc1)c1ccccc1)(CC)CC.[B](F)(F)(F)[F-].O=C(C)C |
Title of publication | A mononuclear Rh^III^ tetraphosphine complex, [RhCl~2~(C~25~H~40~P~4~)]BF~4~·C~3~D~6~O, crystallized as a perdeuteroacetone solvate |
Authors of publication | Gueorguieva, Petia; Stanley, George G.; Fronczek, Frank R. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 8 |
Pages of publication | m1043 - m1045 |
a | 10.595 ± 0.002 Å |
b | 14.75 ± 0.003 Å |
c | 22.285 ± 0.005 Å |
α | 90° |
β | 96.186 ± 0.009° |
γ | 90° |
Cell volume | 3462.3 ± 1.2 Å3 |
Cell temperature | 105 K |
Ambient diffraction temperature | 105 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.049 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for significantly intense reflections | 0.066 |
Weighted residual factors for all reflections included in the refinement | 0.071 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
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