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Information card for entry 2014869
Preview
Coordinates | 2014869.cif |
---|---|
Structure factors | 2014869.hkl |
Original IUCr paper | HTML |
Chemical name | Sodium trans-cyano(trans-6,13-dimethyl-,1,4,8,11-tetraazacyclotetradecane- 6,13-diamine)cobalt triperchlorate |
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Formula | C13 H30 Cl3 Co N7 Na O12 |
Calculated formula | C13 H30 Cl3 Co N7 Na O12 |
SMILES | C1C[NH]2CC3(C[NH]4CC[NH]5CC(C)(N)C[NH]1[Co]245([NH2]3)C#N)C.[Na+].O=Cl(=O)(=O)[O-].O=Cl(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Cyanocobalt(III) complexes of penta- and tetradentate-coordinated macrocyclic hexaamines |
Authors of publication | Paul V. Bernhardt; Nathan L. Kilah |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 5 |
Pages of publication | m245 - m249 |
a | 9.405 ± 0.002 Å |
b | 10.683 ± 0.002 Å |
c | 14.211 ± 0.002 Å |
α | 94.02 ± 0.01° |
β | 100.62 ± 0.02° |
γ | 111.21 ± 0.01° |
Cell volume | 1293.7 ± 0.4 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0689 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.0968 |
Weighted residual factors for all reflections included in the refinement | 0.1097 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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