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Information card for entry 4309870
Preview
Coordinates | 4309870.cif |
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Original paper (by DOI) | HTML |
Chemical name | 7-(9-anthracenylmethyl)-3,11-dithia-7,17- diazabicyclo[11.3.1]heptadeca-1(17),13,15-triene-?4S,N,S',N'- perchloratocopper(II) perchlorate |
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Formula | C28 H30 Cl2 Cu N2 O8 S2 |
Calculated formula | C28 H30 Cl2 Cu N2 O8 S2 |
Title of publication | New Fluorescence PET Systems Based on N2S2 Pyridine-Anthracene-Containing Macrocyclic Ligands. Spectrophotometric, Spectrofluorimetric, and Metal Ion Binding Studies |
Authors of publication | Abel Tamayo; Carlos Lodeiro; Lluis Escriche; Jaume Casabó; Berta Covelo; Pablo González |
Journal of publication | Inorganic Chemistry |
Year of publication | 2005 |
Journal volume | 44 |
Pages of publication | 8105 - 8115 |
a | 8.901 ± 0.003 Å |
b | 9.145 ± 0.003 Å |
c | 35.075 ± 0.01 Å |
α | 90° |
β | 95.403 ± 0.005° |
γ | 90° |
Cell volume | 2842.4 ± 1.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.1012 |
Residual factor for significantly intense reflections | 0.0485 |
Weighted residual factors for significantly intense reflections | 0.1092 |
Weighted residual factors for all reflections included in the refinement | 0.1421 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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