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Information card for entry 4512541
Preview
| Coordinates | 4512541.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H66 Cu3 N12 O14 |
|---|---|
| Calculated formula | C47 H66 Cu3 N12 O14 |
| Title of publication | Interaction of the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+with 4,4′-Bipyridine. Structural Characterizations of New Coordination Polymers and Hexanuclear CuIIClusters. 2° |
| Authors of publication | Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 1259 |
| a | 21.3303 ± 0.001 Å |
| b | 13.9282 ± 0.0007 Å |
| c | 18.8191 ± 0.0008 Å |
| α | 90° |
| β | 105.898 ± 0.002° |
| γ | 90° |
| Cell volume | 5377.2 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0568 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1077 |
| Weighted residual factors for all reflections included in the refinement | 0.1177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179672 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/25. |
4512541.cif |
| 134760 | 2015-04-04 | cif/ Updating files of 4512540, 4512541, 4512542, 4512543, 4512544, 4512545, 4512546 Original log message: Adding full bibliography for 4512540--4512546.cif. |
4512541.cif |
| 129726 | 2015-01-17 | cif/ Adding structures of 4512540, 4512541, 4512542, 4512543, 4512544, 4512545, 4512546 via cif-deposit CGI script. |
4512541.cif |
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Users of the data should acknowledge the original authors of the
structural data.