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Information card for entry 4311975
Preview
| Coordinates | 4311975.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [di(μ8-bromo)octabromohexatrikonta(μ3-hydroxy)tetra(μ-hydroxy) dodekakis-{N,N-bis-(2-carboxyethyl)-3-aminopropanoato}-octaeikosi(aquo) tetratetrakontacopper(II)] dibromide 81(water) |
|---|---|
| Formula | C108 H402 Br12 Cu44 N12 O221 |
| Calculated formula | C108 H180 Br12 Cu44 N12 O221 |
| Title of publication | Structure and Magnetic Properties of a Giant Cu44II Aggregate Which Packs with a Zeotypic Superstructure |
| Authors of publication | Muralee Murugesu; Rodolphe Clérac; Christopher E. Anson; Annie K. Powell |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 7269 - 7271 |
| a | 30.5141 ± 0.0019 Å |
| b | 33.783 ± 0.002 Å |
| c | 29.9408 ± 0.0019 Å |
| α | 90° |
| β | 92.216 ± 0.001° |
| γ | 90° |
| Cell volume | 30842 ± 3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1892 |
| Residual factor for significantly intense reflections | 0.0687 |
| Weighted residual factors for significantly intense reflections | 0.1726 |
| Weighted residual factors for all reflections included in the refinement | 0.2217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179158 (current) | 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 4/31/19. |
4311975.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311975.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311975.cif |
| 3477 | 2010-11-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4311975 via cif-deposit CGI script. |
4311975.cif |
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Users of the data should acknowledge the original authors of the
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