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Information card for entry 1556889
Preview
Coordinates | 1556889.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H42 Cu2 N2 O8 |
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Calculated formula | C54 H42 Cu2 N2 O8 |
SMILES | c1cc(cc[n]1[Cu]1234[O]=C(O[Cu]4([n]4ccc(cc4)/C=C/c4ccccc4)([O]=C(O2)c2ccccc2)(OC(=[O]3)c2ccccc2)[O]=C(O1)c1ccccc1)c1ccccc1)/C=C/c1ccccc1 |
Title of publication | Extraordinary anisotropic thermal expansion in photosalient crystals |
Authors of publication | Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J. |
Journal of publication | IUCrJ |
Year of publication | 2020 |
Journal volume | 7 |
Journal issue | 1 |
Pages of publication | 83 - 89 |
a | 24.633 ± 0.011 Å |
b | 12.093 ± 0.004 Å |
c | 15.509 ± 0.006 Å |
α | 90° |
β | 108.48 ± 0.012° |
γ | 90° |
Cell volume | 4382 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0379 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for significantly intense reflections | 0.0815 |
Weighted residual factors for all reflections included in the refinement | 0.084 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/1556889.html
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