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Information card for entry 4312930
Preview
Coordinates | 4312930.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H65 Cl Cu N2 O2 P3 |
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Calculated formula | C66 H65 Cl Cu N2 O2 P3 |
SMILES | [Cu]1(Cl)([P](C(=N\c2ccc(cc2)C)\C(=N/c2ccc(cc2)C)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1 |
Title of publication | Metal Complexes with 2,3-Bis(diphenylphosphino)-1,4-diazadiene Ligands: Synthesis, Structures, and an Intramolecular Metal-Mediated [4 + 2] Cycloaddition Employing a Benzene Ring as a Dienophile |
Authors of publication | Dirk Walther; Stefan Liesicke; Lars Böttcher; Reinald Fischer; Helmar Görls; Gavin Vaughan |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 625 - 632 |
a | 22.3892 ± 0.0004 Å |
b | 19.2933 ± 0.0004 Å |
c | 26.6209 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 11499.2 ± 0.4 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0852 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.1057 |
Weighted residual factors for all reflections included in the refinement | 0.1123 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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