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CIF Information Card
Information card for 1100759
1100758 << 1100759 >> 1100760Preview
|
Coordinates |
1100759.cif |
Structure parameters
| Formula | - C4 H10 Cu3 N4 O5 - |
| Calculated formula | - C4 H10 Cu3 N4 O5 - |
| Title of publication | A Unique Cyanide-Bridged Three-Dimensional (3-D) Copper(II)-Copper(I) Mixed-Valence Polymer Containing 1-D Water Tapes with Cyclic Pentamer Units |
| Authors of publication | Ji-Min Zheng; Stuart R. Batten; Miao Du |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 3371 - 3373 |
| a | 6.72 ± 0.002 Å |
| b | 9.494 ± 0.003 Å |
| c | 10.682 ± 0.003 Å |
| α | 111.979 ± 0.004° |
| β | 96.879 ± 0.005° |
| γ | 106.678 ± 0.005° |
| Cell volume | 585.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0461 |
| Residual factor for observed reflections | 0.0387 |
| Weighted residual factors for the observed reflections | 0.1041 |
| Weighted residual factors for all reflections included in the refinement | 0.1094 |
| Goodness-of-fit parameter for observed reflections | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |