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CIF Information Card
Information card for 7101720
7101719 << 7101720 >> 7101721Preview
|
Coordinates |
7101720.cif |
Structure parameters
| Common name | (Cu7(M)(m3-OH)2(m-OCH3)(HOCH3)2(H2O)(NO3)(N3)2)2(NO3)4 9H2O |
| Formula | - C78 H120 Cu14 N30 O51 - |
| Calculated formula | - C78 H90 Cu14 N26 O30 - |
| Title of publication | A tetradecanuclear copper dimeric macrocyclic complex with a body-centred heptanuclear core-structure and magnetism. |
| Authors of publication | Tandon, Santokh S; Bunge, Scott D; Thompson, Laurence K |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 8 |
| Pages of publication | 798 - 800 |
| a | 14.0485 ± 0.0012 Å |
| b | 15.7647 ± 0.0014 Å |
| c | 15.772 ± 0.002 Å |
| α | 116.174 ± 0.002° |
| β | 108.739 ± 0.002° |
| γ | 98.205 ± 0.002° |
| Cell volume | 2797.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0746 |
| Residual factor for observed reflections | 0.0536 |
| Weighted residual factors for the observed reflections | 0.1428 |
| Weighted residual factors for all reflections included in the refinement | 0.1581 |
| Goodness-of-fit parameter for observed reflections | 0.744 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |