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CIF Information Card
Information card for 1100147
1100146 << 1100147 >> 1100148Preview
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Coordinates |
1100147.cif |
Structure parameters
| Chemical name | 'Tetrakis(2,2'-bipyridine-N,N')-dichloro-bis(mu!3$-hydroxo) -bis(mu!2$-hydroxo)-tetracopper(II) dichloride hexahydrate' |
| Formula | - C40 H48 Cl4 Cu4 N8 O10 - |
| Calculated formula | - C40 H36 Cl4 Cu4 N8 O10 - |
| Title of publication | 'An X-Ray Study of the Crystal Structure of a new stepped- cubane tetranuclear copper(II) compound, [Cu~4~(μ~2~-OH) ~2~(μ~3~-OH)~2~Cl~2~(bipy)~4~]Cl~2~.6H~2~O' |
| Authors of publication | Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Garcia-Martinez, Emilia; Covelo, Berta; Castineiras, Alfonso |
| Journal of publication | Z. Anorg. Allg. Chem. |
| Year of publication | 2002 |
| Journal volume | 628 |
| Pages of publication | 907 - 908 |
| a | 9.2608 ± 0.001 Å |
| b | 10.3755 ± 0.0011 Å |
| c | 12.9865 ± 0.0014 Å |
| α | 85.76 ± 0.002° |
| β | 75.915 ± 0.002° |
| γ | 73 ± 0.002° |
| Cell volume | 1157.4 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P-1 |
| Residual factor for all reflections | 0.1255 |
| Residual factor for observed reflections | 0.0529 |
| Weighted residual factors for the observed reflections | 0.0908 |
| Weighted residual factors for all reflections included in the refinement | 0.1055 |
| Goodness-of-fit parameter for observed reflections | 0.832 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |