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Information card for entry 7027194
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Coordinates | 7027194.cif |
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Original paper (by DOI) | HTML |
Chemical name | Bis[2,6-bis-(3-{2,4,6-trimethylphenyl}pyrazol-1-yl)pyridine]dicopper(I) ditetrafluoroborate diacetone solvate |
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Formula | C64 H70 B2 Cu2 F8 N10 O2 |
Calculated formula | C64 H70 B2 Cu2 F8 N10 O2 |
Title of publication | Structural variations in dicopper(I) double helicate complexes |
Authors of publication | Solanki, Nayan K.; Wheatley, Andrew E. H.; Radojevic, Sanja; McPartlin, Mary; Halcrow, Malcolm A. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 4 |
Pages of publication | 521 |
a | 20.43 ± 0.003 Å |
b | 21.288 ± 0.003 Å |
c | 14.4499 ± 0.0019 Å |
α | 90° |
β | 92.371 ± 0.012° |
γ | 90° |
Cell volume | 6279.1 ± 1.5 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1018 |
Residual factor for significantly intense reflections | 0.0608 |
Weighted residual factors for significantly intense reflections | 0.1559 |
Weighted residual factors for all reflections included in the refinement | 0.1916 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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