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Information card for entry 7011977
Preview
Coordinates | 7011977.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H18 N2 O6 P2 |
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Calculated formula | C6 H18 N2 O6 P2 |
SMILES | C([NH+](CP(=O)([O-])O)C)C[NH+](CP(=O)(O)[O-])C |
Title of publication | Building layered structures from hydrogen bonded molecular units and 1D metal phosphonate chains: synthesis, characterization and crystal structures of N,N???-dimethyl-N,N???-ethylenediamine-bis(methylenephosphonic acid), its Ni(ii) and Pb(ii) complexes |
Authors of publication | Mao, Jiang-Gao; Wang, Zhike; Clearfield, Abraham |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 24 |
Pages of publication | 4541 |
a | 6.9401 ± 0.0015 Å |
b | 10.456 ± 0.002 Å |
c | 8.4868 ± 0.0018 Å |
α | 90° |
β | 112.844 ± 0.004° |
γ | 90° |
Cell volume | 567.5 ± 0.2 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 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 | 0.0425 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.1069 |
Weighted residual factors for all reflections included in the refinement | 0.1154 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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