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Information card for entry 2016226
Preview
Coordinates | 2016226.cif |
---|---|
Structure factors | 2016226.hkl |
Original IUCr paper | HTML |
Chemical name | μ-p-phenylenediamine-N,N,N',N'-tetraacetato- bis[aqua(1,10-phenanthroline)nickel(II)] |
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Formula | C38 H56 N6 Ni2 O22 |
Calculated formula | C38 H56 N6 Ni2 O22 |
SMILES | c12c3c4ccc2ccc[n]1[Ni]12([n]3ccc4)([N](c3ccc([N]45CC(=O)O[Ni]65([n]5cccc7c5c5c(cc7)ccc[n]65)([OH2])OC(=O)C4)cc3)(CC(=O)O1)CC(=O)O2)[OH2].O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | Formation of a one-dimensional water chain containing two linking patterns of planar water tetramers |
Authors of publication | Zhang, Xiang-Dong; Ge, Chun-Hua; Yu, Fang; Liu, Qi-Tao; Zhu, Miao-Li |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 11 |
Pages of publication | m519 - m521 |
a | 10.2082 ± 0.0007 Å |
b | 10.3481 ± 0.0007 Å |
c | 12.4101 ± 0.0008 Å |
α | 91.336 ± 0.001° |
β | 108.426 ± 0.001° |
γ | 107.536 ± 0.001° |
Cell volume | 1175.71 ± 0.14 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0393 |
Residual factor for significantly intense reflections | 0.0331 |
Weighted residual factors for significantly intense reflections | 0.0805 |
Weighted residual factors for all reflections included in the refinement | 0.0833 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
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/2016226.html
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