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Information card for entry 7010739
Preview
Coordinates | 7010739.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Bis[2-(pyrazol-1-yl)-6-(3-{2,4,6-trimethylphenyl}pyrazol-1-yl)pyridine]- copper(II) diperchlorate dinitromethane solvate, alpha modification |
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Formula | C42 H44 Cl2 Cu N12 O12 |
Calculated formula | C42 H44 Cl2 Cu N12 O12 |
Title of publication | The effects of distal ligand substitution on the copper(II)/bis-(2,6-dipyrazol-1-ylpyridine) centre† |
Authors of publication | Solanki, Nayan K.; Leech, Michael A.; McInnes, Eric J. L.; Zhao, Jing P.; Mabbs, Frank E.; Feeder, Neil; Howard, Judith A. K.; Davies, John E.; Rawson, Jeremy M.; Halcrow, Malcolm A. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 14 |
Pages of publication | 2083 |
a | 18.6594 ± 0.0006 Å |
b | 18.1992 ± 0.0006 Å |
c | 14.8395 ± 0.0004 Å |
α | 90° |
β | 111.396 ± 0.002° |
γ | 90° |
Cell volume | 4692 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0689 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.1116 |
Weighted residual factors for all reflections included in the refinement | 0.1228 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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