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Information card for entry 4323566
Preview
Coordinates | 4323566.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H64 N2 O8 |
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Calculated formula | C68 H64 N2 O8 |
SMILES | OC(=O)C1(Cc2ccccc2)C[C@@]2(C(=O)N(C(=O)[C@@](Cc3ccccc3)(C2)C1)c1cc(N2C(=O)[C@]3(Cc4ccccc4)C[C@@](C2=O)(Cc2ccccc2)CC(C(=O)O)(Cc2ccccc2)C3)c(cc1C)C)Cc1ccccc1 |
Title of publication | Synthesis and Characterization of a Novel Class of Dicopper(I) Bis(carboxylate)-Bridged Complexes |
Authors of publication | Daniel D. LeCloux |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 4035 - 4046 |
a | 11.9155 ± 0.0001 Å |
b | 28.7491 ± 0.0004 Å |
c | 17.2033 ± 0.0002 Å |
α | 90° |
β | 108.497 ± 0.001° |
γ | 90° |
Cell volume | 5588.72 ± 0.12 Å3 |
Cell temperature | 188 ± 2 K |
Ambient diffraction temperature | 188 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0783 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for all reflections | 0.127 |
Weighted residual factors for significantly intense reflections | 0.1126 |
Goodness-of-fit parameter for all reflections | 1.025 |
Goodness-of-fit parameter for significantly intense reflections | 1.083 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4323566.html
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