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Information card for entry 7010741
Preview
Coordinates | 7010741.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 nitromethane solvate, beta modification |
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Formula | C42 H44 Cl2 Cu N12 O11.88 |
Calculated formula | C42 H44 Cl2 Cu N12 O11.875 |
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 | 40.78 ± 0.006 Å |
b | 18.023 ± 0.003 Å |
c | 13.673 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 10049 ± 3 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 6 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.1394 |
Residual factor for significantly intense reflections | 0.0887 |
Weighted residual factors for significantly intense reflections | 0.2217 |
Weighted residual factors for all reflections included in the refinement | 0.2736 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7010741.html
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