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Information card for entry 1563989
Preview
Coordinates | 1563989.cif |
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Original paper (by DOI) | HTML |
Formula | C70 H52 N2 O8 Zn2 |
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Calculated formula | C70 H52 N2 O8 Zn2 |
Title of publication | Treatment of cadmium(II) and zinc(II) with N2-donor linkages in presence of β-diketone ligand; supported by structural, spectral, theoretical and docking studies |
Authors of publication | Marandi, Farzin; Moeini, Keyvan; Alizadeh, Fereshteh; Mardani, Zahra; Quah, Ching Kheng; Loh, Wan-Sin; Woollins, J. Derek |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2018 |
Journal volume | 482 |
Pages of publication | 717 - 725 |
a | 10.8018 ± 0.0014 Å |
b | 28.923 ± 0.004 Å |
c | 18.183 ± 0.002 Å |
α | 90° |
β | 93.739 ± 0.002° |
γ | 90° |
Cell volume | 5668.6 ± 1.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.148 |
Residual factor for significantly intense reflections | 0.0544 |
Weighted residual factors for significantly intense reflections | 0.0944 |
Weighted residual factors for all reflections included in the refinement | 0.1307 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
267295 (current) | 2021-07-06 | cif/ Adding structures of 1563987, 1563988, 1563989, 1563990, 1563991 via cif-deposit CGI script. |
1563989.cif |
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Users of the data should acknowledge the original authors of the
structural data.