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Information card for entry 2011819
Preview
Coordinates | 2011819.cif |
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Structure factors | 2011819.hkl |
Original IUCr paper | HTML |
Chemical name | [{K(18-crown-6-ether)(H~2~O)}~2~{K(18-crown-6-ether)(H~2~O)~2~}] [Rh~2~(O~2~CC~6~H~5~)~4~Fe(CN)~6~]8H~2~O (18-crown-6-ether = 1,4,7,10,13,16-hexaoxacyclooctadecane) |
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Formula | C70 H116 Fe K3 N6 O38 Rh2 |
Calculated formula | C70 H116 Fe K3 N6 O38 Rh2 |
SMILES | [Rh]1234([Rh]([O]=C(O1)c1ccccc1)(OC(=[O]2)c1ccccc1)([O]=C(O3)c1ccccc1)(OC(=[O]4)c1ccccc1)[N]#C[Fe](C#N)(C#N)(C#N)(C#N)C#[N][Rh]1234[Rh]([O]=C(O1)c1ccccc1)(OC(=[O]2)c1ccccc1)([O]=C(O3)c1ccccc1)OC(=[O]4)c1ccccc1)[N]#C[Fe](C#N)(C#N)(C#N)(C#N)C#N.[K]12345([O]6CC[O]5CC[O]4CC[O]3CC[O]2CC[O]1CC6)[OH2].[K]12345([O]6CC[O]5CC[O]4CC[O]3CC[O]2CC[O]1CC6)[OH2].[K]12345([O]6CC[O]5CC[O]4CC[O]3CC[O]2CC[O]1CC6)([OH2])[OH2].O.O.O.O.O.O.O.O.[K]12345([O]6CC[O]5CC[O]4CC[O]3CC[O]2CC[O]1CC6)[OH2].[K]12345([O]6CC[O]5CC[O]4CC[O]3CC[O]2CC[O]1CC6)[OH2].[K]12345([O]6CC[O]5CC[O]4CC[O]3CC[O]2CC[O]1CC6)([OH2])[OH2].O.O.O.O.O.O.O.O |
Title of publication | A ferric-cyanide-bridged one-dimensional dirhodium complex with (18-crown-6)potassium cations |
Authors of publication | Kim, Youngmee; Kim, Sung-Jin; Nam, Wonwoo |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2001 |
Journal volume | 57 |
Journal issue | 3 |
Pages of publication | 266 - 268 |
a | 16.0884 ± 0.0004 Å |
b | 23.1083 ± 0.0005 Å |
c | 25.8233 ± 0.0006 Å |
α | 90° |
β | 104.09 ± 0.001° |
γ | 90° |
Cell volume | 9311.6 ± 0.4 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 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 | 0.0959 |
Residual factor for significantly intense reflections | 0.0525 |
Weighted residual factors for all reflections included in the refinement | 0.1157 |
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 | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2011819.html
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