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Information card for entry 2016222
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Coordinates | 2016222.cif |
---|---|
Structure factors | 2016222.hkl |
Original IUCr paper | HTML |
Common name | Diaquatetrakis(urea)cobalt(II) nitrate |
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Chemical name | Diaquatetrakis(urea-κO)cobalt(II) nitrate |
Formula | C4 H20 Co N10 O12 |
Calculated formula | C4 H20 Co N10 O12 |
SMILES | C(N)(N)=[O][Co]([O]=C(N)N)([O]=C(N)N)([O]=C(N)N)([OH2])[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-] |
Title of publication | Hydrogen bonding in diaquatetrakis(urea-κ<i>O</i>)<i>M</i>^II^ dinitrates, with <i>M</i> = Ni and Co |
Authors of publication | Krawczuk, Anna; Stadnicka, Katarzyna |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 10 |
Pages of publication | m448 - m450 |
a | 6.4655 ± 0.0002 Å |
b | 17.9321 ± 0.0005 Å |
c | 7.6201 ± 0.0002 Å |
α | 90° |
β | 94.428 ± 0.001° |
γ | 90° |
Cell volume | 880.84 ± 0.04 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0462 |
Residual factor for significantly intense reflections | 0.0322 |
Weighted residual factors for significantly intense reflections | 0.074 |
Weighted residual factors for all reflections included in the refinement | 0.0815 |
Goodness-of-fit parameter for all reflections | 1.038 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2016222.html
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