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CIF Information Card
Information card for 2015305
2015304 << 2015305 >> 2015306Preview
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Coordinates |
2015305.cif |
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Structure factors |
2015305.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | cis-Diaqua[(E)-2-(2-oxidobenzylideneamino-\kO)benzoato-\kO']copper(II) |
| Formula | - C14 H13 Cu N O5 - |
| Calculated formula | - C14 H13 Cu N O5 - |
| Title of publication | <i>cis</i>-Diaqua[(<i>E</i>)-2-(2-oxidobenzylideneamino-κ<i>O</i>)benzoato-κ<i>O</i>']copper(II): tubes built from O—H...O hydrogen bonding, π‒π and C—H...π interactions. |
| Authors of publication | Lu, Li-Ping; Yao, Shu-Qin; Zhu, Miao-Li |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 5 |
| Pages of publication | m220 - m222 |
| a | 46.263 ± 0.002 Å |
| b | 46.263 ± 0.002 Å |
| c | 7.203 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 13350.9 ± 1.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | R -3 :H |
| Hall symmetry space group | -R 3 |
| Residual factor for all reflections | 0.1059 |
| Residual factor for observed reflections | 0.0716 |
| Weighted residual factors for the observed reflections | 0.1458 |
| Weighted residual factors for all reflections included in the refinement | 0.1602 |
| Goodness-of-fit parameter for observed reflections | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |