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CIF Information Card
Information card for 7101860
7101859 << 7101860 >> 7101861Preview
|
Coordinates |
7101860.cif |
Structure parameters
| Common name | tetra(rctt-1,2-bis(2-pyridyl)-3,4-bis(3-pyridyl)cyclobutane copper(ii) nitrate) hydrate acetonitrile 1/13.5/1 |
| Chemical name | tetra[rctt-1,2-bis(2-pyridyl)-3,4-bis(3-pyridyl)cyclobutane copper(II) nitrate] hydrate acetonitrile 1/13.5/1 |
| Formula | - C98 H118 Cu4 N25 O41.5 - |
| Calculated formula | - C98 H83 Cu4 N25 O41.5 - |
| Title of publication | Coding a coordination-driven self-assembly via a hydrogen bond-directed solid-state synthesis: an unexpected chiral tetrahedral capsule. |
| Authors of publication | Hamilton, Tamara D; Bucar, Dejan-Kresimir; MacGillivray, Leonard R |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 16 |
| Pages of publication | 1603 - 1604 |
| a | 15.1205 ± 0.0015 Å |
| b | 16.2501 ± 0.0016 Å |
| c | 25.15 ± 0.003 Å |
| α | 104.966 ± 0.005° |
| β | 100.672 ± 0.005° |
| γ | 105.931 ± 0.005° |
| Cell volume | 5518.3 ± 1 Å3 |
| Cell temperature | 190 ± 1 K |
| Ambient diffraction temperature | 190 ± 1 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.1234 |
| Residual factor for observed reflections | 0.0778 |
| Weighted residual factors for the observed reflections | 0.214 |
| Weighted residual factors for all reflections included in the refinement | 0.2428 |
| Goodness-of-fit parameter for observed reflections | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |