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Information card for entry 4313433
Preview
Coordinates | 4313433.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H28 Co N6 O11 P3 |
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Calculated formula | C6 H24 Co N6 O11 P3 |
SMILES | [Co]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.P1(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-].O.O |
Title of publication | Homochiral Column Structure of rac- and Λ-Tris(ethylenediamine)cobalt(III) Cyclotriphosphate Dihydrate in Crystal Structures and Cation-Anion Association in Aqueous Solution |
Authors of publication | Toshio Nakashima; Junichi Mishiro; Masami Ito; Genichiro Kura; Yuichi Ikuta; Naohide Matsumoto; Kiyohiko Nakajima; Masaaki Kojima |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 2323 - 2330 |
a | 10.3442 ± 0.0007 Å |
b | 13.5828 ± 0.0009 Å |
c | 13.7851 ± 0.0008 Å |
α | 90° |
β | 94.815 ± 0.002° |
γ | 90° |
Cell volume | 1930 ± 0.2 Å3 |
Cell temperature | 298.2 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 significantly intense reflections | 0.0581 |
Weighted residual factors for all reflections included in the refinement | 0.1648 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.997 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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