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Information card for entry 7103985
Preview
| Coordinates | 7103985.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H62 N4 O8 Ru |
|---|---|
| Calculated formula | C66 H62 N4 O8 Ru |
| SMILES | CC1c2c(O)cc(c(c2)C(c2c(O)cc(O)c(c2)C(C)c2c(cc(c(c2)C(C)c2c(O)cc(O)c1c2)O)O)C)O.c1cc(ccn1)/C=C/c1ccncc1.[cH]12[cH]3[cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.n1ccc(cc1)/C=C/c1ccncc1 |
| Title of publication | Transformation of a C-methylcalix[4]resorcinarene based host-guest complex from a wave-like to a novel triangular brick-wall architecture |
| Authors of publication | Philip Coppens; Bao-Qing Ma |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2003 |
| a | 23.9761 ± 0.0012 Å |
| b | 17.1389 ± 0.0009 Å |
| c | 15.5942 ± 0.0008 Å |
| α | 90° |
| β | 121.336 ± 0.002° |
| γ | 90° |
| Cell volume | 5473.3 ± 0.5 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0946 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1639 |
| Weighted residual factors for all reflections included in the refinement | 0.1883 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7103985.cif |
| 180142 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/39. |
7103985.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7103985.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7103985.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7103985.cif |
| 823 | 2009-09-25 | cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications. |
7103985.cif |
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