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Information card for entry 7006157
Preview
Coordinates | 7006157.cif |
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Original paper (by DOI) | HTML |
Formula | C11 H27 Cl2 N5 Ni O4 |
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Calculated formula | C11 H27 Cl2 N5 Ni O4 |
SMILES | [Ni]1234(Cl)[NH]5CC[N]3(CC[NH]2CC[NH]1CC5)CC[NH]4C.Cl(=O)(=O)(=O)[O-] |
Title of publication | Homo- and heteropolynuclear Ni2+ and Cu2+ complexes of polytopic ligands, consisting of a tren unit substituted with three 12-membered tetraazamacrocycles. |
Authors of publication | Siegfried, Liselotte; McMahon, C. Niamh; Baumeister, Jan; Neuburger, Markus; Kaden, Thomas A.; Anandaram, Sreekanth; Palivan, Cornelia G. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 42 |
Pages of publication | 4797 - 4810 |
a | 8.9858 ± 0.0001 Å |
b | 7.9727 ± 0.0001 Å |
c | 12.3989 ± 0.0002 Å |
α | 90° |
β | 96.8678 ± 0.0008° |
γ | 90° |
Cell volume | 881.9 ± 0.02 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0344 |
Residual factor for significantly intense reflections | 0.0291 |
Weighted residual factors for all reflections | 0.0361 |
Weighted residual factors for significantly intense reflections | 0.0353 |
Weighted residual factors for all reflections included in the refinement | 0.0353 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0409 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7006157.html
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