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Information card for entry 7218012
Preview
Coordinates | 7218012.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H38 Cu N2 O6 |
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Calculated formula | C34 H38 Cu N2 O6 |
SMILES | [Cu]1([n]2cccc3c2c2[n]1cccc2cc3)(OC(=O)c1ccc(cc1)C(C)(C)C)(OC(=O)c1ccc(cc1)C(C)(C)C)[OH2].O |
Title of publication | Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers |
Authors of publication | Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 36 |
Pages of publication | 8429 |
a | 7.8156 ± 0.0008 Å |
b | 10.3153 ± 0.0017 Å |
c | 20.747 ± 0.002 Å |
α | 101.272 ± 0.011° |
β | 100.209 ± 0.008° |
γ | 97.106 ± 0.012° |
Cell volume | 1592.5 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0854 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.1188 |
Weighted residual factors for all reflections included in the refinement | 0.1336 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Duplicate of | 7217053 |
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/7218012.html
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