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Information card for entry 7011208
Preview
| Coordinates | 7011208.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H25 Na O5 |
|---|---|
| Calculated formula | C15.068 H25.136 Na O5 |
| Title of publication | Ether and crown ether adduct complexes of sodium and potassium cyclopentadienide and methylcyclopentadienide—molecular structures of [Na(dme)Cp]∞, [K(dme)0.5Cp]∞, [Na(15-crown-5)Cp], [Na(18-crown-6)CpMe] and the “naked Cp−” complex [K(15-crown-5)2][Cp] |
| Authors of publication | Marcus L. Cole; Cameron Jones; Peter C. Junk |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 6 |
| Pages of publication | 896 - 905 |
| a | 15.2065 ± 0.0016 Å |
| b | 14.8447 ± 0.0016 Å |
| c | 15.5194 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3503.3 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1132 |
| Residual factor for significantly intense reflections | 0.0699 |
| Weighted residual factors for significantly intense reflections | 0.193 |
| Weighted residual factors for all reflections included in the refinement | 0.2333 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011208.cif |
| 179816 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/12. |
7011208.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011208.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011208.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011208.cif |
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Users of the data should acknowledge the original authors of the
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