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Information card for entry 4316910
Preview
| Coordinates | 4316910.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C225 H194 B2 Cl2 Cu8 F8 N4 O8 P16 |
|---|---|
| Calculated formula | C225 H194 B2 Cl2 Cu8 F8 N4 O8 P16 |
| Title of publication | One-Pot Conditional Self-Assembly of Multicopper Metallacycles |
| Authors of publication | Kom-Bei Shiu; Shih-An Liu; Gene-Hsiang Lee |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 9902 - 9908 |
| a | 14.564 ± 0.002 Å |
| b | 22.88 ± 0.003 Å |
| c | 23.563 ± 0.003 Å |
| α | 61.091 ± 0.002° |
| β | 80.927 ± 0.002° |
| γ | 81.605 ± 0.002° |
| Cell volume | 6765.2 ± 1.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1629 |
| Residual factor for significantly intense reflections | 0.072 |
| Weighted residual factors for significantly intense reflections | 0.1754 |
| Weighted residual factors for all reflections included in the refinement | 0.1978 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.817 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192782 (current) | 2017-03-02 | cod/ (antanas@echidna.ibt.lt) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5004). The correction was mainly focused on removing misspelt versions of the '_publ_contact_author' loop data items. |
4316910.cif |
| 179249 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/69. |
4316910.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316910.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316910.cif |
| 10422 | 2011-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4316910 via cif-deposit CGI script. |
4316910.cif |
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Users of the data should acknowledge the original authors of the
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