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Information card for entry 7035554
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Coordinates | 7035554.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Cu14] |
---|---|
Formula | C123 H101.17 Br8 Cu14 N16 O42.58 |
Calculated formula | C123 H100 Br8 Cu14 N16 O42.6 |
Title of publication | Molecular Pac-Man and Tacos: layered Cu(ii) cages from ligands with high binding site concentrations. |
Authors of publication | McDonald, Cecelia; Williams, David W.; Comar, Priyanka; Coles, Simon J.; Keene, Tony D.; Pitak, Mateusz B.; Brechin, Euan K.; Jones, Leigh F. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 29 |
Pages of publication | 13359 - 13368 |
a | 47.208 ± 0.003 Å |
b | 16.6283 ± 0.0012 Å |
c | 21.3697 ± 0.0015 Å |
α | 90° |
β | 94.285 ± 0.001° |
γ | 90° |
Cell volume | 16728 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 6 |
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 | 0.0868 |
Residual factor for significantly intense reflections | 0.0551 |
Weighted residual factors for significantly intense reflections | 0.1403 |
Weighted residual factors for all reflections included in the refinement | 0.1503 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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