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Information card for entry 7013248
Preview
Coordinates | 7013248.cif |
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Original paper (by DOI) | HTML |
Common name | all-trans-(Ni(H2L-O)2(H2O)2Cl2)Cl2 (L = (H2NCH2)2P(O)OH ) |
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Chemical name | all-trans-(Ni(H2L-O)2(H2O)2Cl2)Cl2 (L = (H2NCH2)2P(O)OH ) |
Formula | C4 H24 Cl4 N4 Ni O6 P2 |
Calculated formula | C4 H24 Cl4 N4 Ni O6 P2 |
SMILES | [Ni](Cl)([OH2])(OP(=O)(C[NH3+])C[NH3+])(OP(=O)(C[NH3+])C[NH3+])(Cl)[OH2].[Cl-].[Cl-] |
Title of publication | Complexes of divalent transition metal ions with bis(aminomethyl)phosphinic acid in aqueous solution and in the solid state |
Authors of publication | Vojtěch Kubíček; Pavel Vojtíšek; Jakub Rudovský; Petr Hermann; Ivan Lukeš |
Journal of publication | Dalton Trans. |
Year of publication | 2003 |
Journal issue | 20 |
Pages of publication | 3927 - 3938 |
a | 8.211 ± 0.0003 Å |
b | 7.853 ± 0.0002 Å |
c | 13.235 ± 0.0005 Å |
α | 90° |
β | 103.042 ± 0.0019° |
γ | 90° |
Cell volume | 831.39 ± 0.05 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 7 |
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 | 0.0429 |
Residual factor for significantly intense reflections | 0.0367 |
Weighted residual factors for significantly intense reflections | 0.0992 |
Weighted residual factors for all reflections included in the refinement | 0.104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.