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Information card for entry 2103237
Preview
Coordinates | 2103237.cif |
---|---|
Structure factors | 2103237.hkl |
Original IUCr paper | HTML |
Chemical name | Bis-(4-aminobenzoato)-1,4,8,11-tetraazacyclotetradecanenickel(II) |
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Formula | C24 H36 N6 Ni O4 |
Calculated formula | C24 H36 N6 Ni O4 |
SMILES | C1C[NH]2CCC[NH]3[Ni]42([NH]1CCC[NH]4CC3)(OC(=O)c1ccc(cc1)N)OC(=O)c1ccc(cc1)N |
Title of publication | [Ni(cyclam)(OCO<i>R</i>)~2~], a finite molecular complex: hydrogen-bonded supramolecular aggregation in one, two and three dimensions, and coordination polymers in one and two dimensions |
Authors of publication | Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2002 |
Journal volume | 58 |
Journal issue | 1 |
Pages of publication | 78 - 93 |
a | 18.443 ± 0.0004 Å |
b | 8.4149 ± 0.0002 Å |
c | 16.8262 ± 0.0004 Å |
α | 90° |
β | 107.877 ± 0.0014° |
γ | 90° |
Cell volume | 2485.27 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0366 |
Residual factor for significantly intense reflections | 0.0283 |
Weighted residual factors for significantly intense reflections | 0.0696 |
Weighted residual factors for all reflections included in the refinement | 0.0738 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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