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Information card for entry 7028107
Preview
Coordinates | 7028107.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H21 N2 O5 Re S2 |
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Calculated formula | C11 H21 N2 O5 Re S2 |
SMILES | [Re]123(SC([C@@H]([NH2]2)C(=O)OC)(C)C)(SC([C@@H]([NH2]3)C(=O)O1)(C)C)=O |
Title of publication | Preparation and structural studies of neutral oxorhenium(V) complexes with D-penicillamine methyl ester |
Authors of publication | Kirsch, Sylvia; Noll, Bernhard; Spies, Hartmut; Leibnitz, Peter; Scheller, Dieter; Krueger, Torsten; Johannsen, Bernd |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1998 |
Journal issue | 3 |
Pages of publication | 455 |
a | 6.085 ± 0.002 Å |
b | 13.88 ± 0.004 Å |
c | 19.702 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1664 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0364 |
Residual factor for significantly intense reflections | 0.0314 |
Weighted residual factors for all reflections | 0.0828 |
Weighted residual factors for significantly intense reflections | 0.0801 |
Goodness-of-fit parameter for all reflections | 1.032 |
Goodness-of-fit parameter for significantly intense reflections | 1.058 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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