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Information card for entry 2231406
Preview
| Coordinates | 2231406.cif |
|---|---|
| Structure factors | 2231406.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-Bromido-bis{μ-2,2'-[4,7-diazadecane-1,10- diylbis(nitrilomethanylylidene)]diphenolato}tricopper(II) bromide dimethylformamide disolvate |
|---|---|
| Formula | C50 H70 Br2 Cu3 N10 O6 |
| Calculated formula | C50 H70 Br2 Cu3 N10 O6 |
| Title of publication | μ-Bromido-bis{μ-2,2'-[4,7-diazadecane-1,10-diylbis(nitrilomethanylylidene)]diphenolato}tricopper(II) bromide dimethylformamide disolvate |
| Authors of publication | Assey, Gervas; Butcher, Ray J.; Gultneh, Yilma |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1197 - m1198 |
| a | 18.745 ± 0.0002 Å |
| b | 18.745 ± 0.0002 Å |
| c | 28.2531 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 8597.4 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 169 |
| Hermann-Mauguin space group symbol | P 61 |
| Hall space group symbol | P 61 |
| Residual factor for all reflections | 0.0477 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0594 |
| Weighted residual factors for all reflections included in the refinement | 0.0619 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.909 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181236 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/14. |
2231406.cif 2231406.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2231406.cif 2231406.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231406.cif 2231406.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. | 2231406.cif 2231406.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231406.cif 2231406.hkl |
| 27531 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231406 via cif-deposit CGI script. |
2231406.cif |
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Users of the data should acknowledge the original authors of the
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