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Information card for entry 7005144
Preview
Coordinates | 7005144.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H30 Cl2 Cu F6 N3 O P2 |
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Calculated formula | C29 H30 Cl2 Cu F6 N3 O P2 |
SMILES | [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([O]=C(NCc2[n]1cccc2)C)[N]#CC.[P](F)(F)(F)(F)(F)[F-].ClCCl |
Title of publication | Structural variation in copper(I) complexes with pyridylmethylamide ligands: structural analysis with a new four-coordinate geometry index, tau4. |
Authors of publication | Yang, Lei; Powell, Douglas R.; Houser, Robert P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 9 |
Pages of publication | 955 - 964 |
a | 8.008 ± 0.002 Å |
b | 11.738 ± 0.004 Å |
c | 17.289 ± 0.005 Å |
α | 86.917 ± 0.005° |
β | 89.583 ± 0.005° |
γ | 84.15 ± 0.005° |
Cell volume | 1614.3 ± 0.8 Å3 |
Cell temperature | 97 ± 2 K |
Ambient diffraction temperature | 97 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0614 |
Residual factor for significantly intense reflections | 0.0474 |
Weighted residual factors for significantly intense reflections | 0.1204 |
Weighted residual factors for all reflections included in the refinement | 0.1268 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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