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Information card for entry 1519197
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Coordinates | 1519197.cif |
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Formula | C25 H36 Br Fe Mn O3 P2 |
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Calculated formula | C25 H36 Br Fe Mn O3 P2 |
SMILES | [cH]12[c]34[Fe]56789%102([cH]1[cH]5[cH]38)[cH]1[c]9([P](C(C)C)(C(C)C)[Mn]([P]4(C(C)C)C(C)C)(Br)(C#[O])(C#[O])C#[O])[cH]%10[cH]7[cH]61 |
Title of publication | C50H72Br2Fe2Mn2O6P4 |
Authors of publication | Butler, Ian R.; Light, Mark E.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 1998 |
Pages of publication | 748 |
a | 19.22 ± 0.007 Å |
b | 9.315 ± 0.003 Å |
c | 29.605 ± 0.01 Å |
α | 90° |
β | 99.71 ± 0.009° |
γ | 90° |
Cell volume | 5224 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1477 |
Residual factor for significantly intense reflections | 0.1044 |
Weighted residual factors for significantly intense reflections | 0.2713 |
Weighted residual factors for all reflections included in the refinement | 0.2982 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1519197.html
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