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Information card for entry 2018100
Preview
| Coordinates | 2018100.cif |
|---|---|
| Structure factors | 2018100.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[triaqua(4,4'-bipyridine- κ<i>N</i>)cadmium(II)] bis(3-aminobenzoate) bis(perchlorate) dihydrate |
|---|---|
| Formula | C64 H68 Cd2 Cl2 N12 O20 |
| Calculated formula | C64 H68 Cd2 Cl2 N12 O20 |
| Title of publication | μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[triaqua(4,4'-bipyridine-κ<i>N</i>)cadmium(II)] bis(3-aminobenzoate) bis(perchlorate) dihydrate: a novel supramolecular system constructed by π‒π and hydrogen-bonding interactions |
| Authors of publication | Gao, Junlin; Wang, Jun; Nie, Jianhua |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m181 - m184 |
| a | 7.4436 ± 0.0001 Å |
| b | 19.0015 ± 0.0004 Å |
| c | 23.7517 ± 0.0005 Å |
| α | 90° |
| β | 91.686 ± 0.001° |
| γ | 90° |
| Cell volume | 3357.98 ± 0.11 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0346 |
| Residual factor for significantly intense reflections | 0.0276 |
| Weighted residual factors for significantly intense reflections | 0.0626 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180850 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/81. |
2018100.cif 2018100.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018100.cif 2018100.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018100.cif 2018100.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018100.cif 2018100.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018100.cif 2018100.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2018100.cif 2018100.hkl |
| 22263 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2018100 via cif-deposit CGI script. |
2018100.cif |
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Users of the data should acknowledge the original authors of the
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