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Information card for entry 2014602
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Coordinates | 2014602.cif |
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Structure factors | 2014602.hkl |
Original IUCr paper | HTML |
Common name | tris(2,2'-bisoxazoline-k^2^N,N')nickel(II) diperchlorate |
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Chemical name | tris[2,2'-bi(4,5-dihydrooxazole)-k^2^N,N']nickel(II) diperchlorate |
Formula | C18 H24 Cl2 N6 Ni O14 |
Calculated formula | C18 H24 Cl2 N6 Ni O14 |
SMILES | [Ni]123([N]4=C(C5=[N]1CCO5)OCC4)([N]1=C(C4=[N]2CCO4)OCC1)[N]1=C(C2=[N]3CCO2)OCC1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Tris(2,2'-bioxazoline-κ^2^<i>N</i>,<i>N</i>')copper(II) diperchlorate and tris(2,2'-bioxazoline-κ^2^<i>N</i>,<i>N</i>')nickel(II) diperchlorate |
Authors of publication | Lü, Zheng-Liang; Liu, Zhi-Liang; Zhang, De-Qing |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 3 |
Pages of publication | m147 - m150 |
a | 9.3911 ± 0.0019 Å |
b | 17.683 ± 0.004 Å |
c | 16.743 ± 0.003 Å |
α | 90° |
β | 101.14 ± 0.03° |
γ | 90° |
Cell volume | 2728 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1164 |
Residual factor for significantly intense reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.0931 |
Weighted residual factors for all reflections included in the refinement | 0.1039 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2014602.html
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