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Information card for entry 7240846
Preview
Coordinates | 7240846.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H72 Cu4 N8 O26 |
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Calculated formula | C56 H72 Cu4 N8 O26 |
SMILES | [Cu]123([n]4c(c5cccc[n]15)cccc4)[OH][Cu]1([n]4c(c5cccc[n]15)cccc4)([O]3[Cu]13([n]4c(c5cccc[n]15)cccc4)[OH][Cu]1([n]4ccccc4c4cccc[n]14)([O]32)OC(=O)c1cc(ccc1)C(=O)[O-])[OH2].c1(cc(ccc1)C(=O)[O-])C(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | Hydrogen-bonding Tuned Hydroxo-bridged Tetra-copper Cu4(bipy)4-cluster Supramolecular Network to Layer Coordination Polymer |
Authors of publication | Zhang, Jian; Chen, Yang-Yang; Tan, Chunhong; Ma, Xiao; Wang, Xiao-Feng; Ou, Guang Chuan |
Journal of publication | CrystEngComm |
Year of publication | 2020 |
a | 14.6945 ± 0.0017 Å |
b | 17.218 ± 0.002 Å |
c | 25.968 ± 0.003 Å |
α | 90° |
β | 94.777 ± 0.004° |
γ | 90° |
Cell volume | 6547.3 ± 1.3 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 | 0.0882 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.1011 |
Weighted residual factors for all reflections included in the refinement | 0.1142 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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