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Information card for entry 4319861
Preview
Coordinates | 4319861.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C20 H37 Cl4 N7 O17 |
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Calculated formula | C20 H35 Cl4 N7 O17 |
SMILES | [nH+]1c2c3nccc(c3)C[NH2+]CCNCC[NH2+]CC[NH2+]CCNCc(c2)cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O |
Title of publication | Protonation and Zn(II) Coordination by Dipyridine-Containing Macrocycles with Different Molecular Architecture. A Case of pH-Controlled Metal Jumping Outside-Inside the Macrocyclic Cavity |
Authors of publication | Carlos Lodeiro; A. Jorge Parola; Fernando Pina; Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Claudia Giorgi; Andrea Masotti; Barbara Valtancoli |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 2968 - 2975 |
a | 8.758 ± 0.009 Å |
b | 9.662 ± 0.003 Å |
c | 19.19 ± 0.007 Å |
α | 91.17 ± 0.03° |
β | 97.12 ± 0.05° |
γ | 94.23 ± 0.05° |
Cell volume | 1606.2 ± 1.8 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 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 | 0.1056 |
Residual factor for significantly intense reflections | 0.0672 |
Weighted residual factors for significantly intense reflections | 0.1795 |
Weighted residual factors for all reflections included in the refinement | 0.1957 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71069 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/4319861.html
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