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Information card for entry 7218179
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Coordinates | 7218179.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Tetrafluoro-1,4-diiodobenzene bis(N-(4-acetophenyl)-2-oxy-1-naphthaldiminato)-copper(ii) |
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Formula | C44 H28 Cu F4 I2 N2 O4 |
Calculated formula | C44 H28 Cu F4 I2 N2 O4 |
SMILES | c12ccc3ccccc3c1C=[N](c1ccc(cc1)C(=O)C)[Cu]1(O2)[N](=Cc2c(ccc3ccccc23)O1)c1ccc(cc1)C(=O)C.Fc1c(I)c(F)c(F)c(I)c1F |
Title of publication | Synthesis of an extended halogen-bonded metal‒organic structure in a one-pot mechanochemical reaction that combines covalent bonding, coordination chemistry and supramolecular synthesis |
Authors of publication | Cinčić, Dominik; Friščić, Tomislav |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 44 |
Pages of publication | 10169 |
a | 8.093 ± 0.005 Å |
b | 9.502 ± 0.005 Å |
c | 12.751 ± 0.005 Å |
α | 82.472 ± 0.005° |
β | 82.927 ± 0.005° |
γ | 86.586 ± 0.005° |
Cell volume | 963.8 ± 0.9 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.058 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.0879 |
Weighted residual factors for all reflections included in the refinement | 0.0938 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7218179.html
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