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Information card for entry 4322000
Preview
Coordinates | 4322000.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H14 Mn O10 |
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Calculated formula | C10 H14 Mn O10 |
SMILES | [Mn]([OH2])([OH2])([OH2])([OH2])([O]=C1C(=O)[C-](C1=O)C)[O]=C1C(=O)[C-](C1=O)C |
Title of publication | First Row Transition Metal Complexes of 1-Methylcyclobutenedione, a Monosubstituted Squarate Ligand |
Authors of publication | Bert D. Alleyne; Hazel-Ann Hosein; Hema Jaggernauth; Lincoln A. Hall; Andrew J. P. White; David J. Williams |
Journal of publication | Inorganic Chemistry |
Year of publication | 1999 |
Journal volume | 38 |
Pages of publication | 2416 - 2421 |
a | 8.8258 ± 0.0008 Å |
b | 16.1527 ± 0.0014 Å |
c | 9.9084 ± 0.0008 Å |
α | 90° |
β | 93.23 ± 0.007° |
γ | 90° |
Cell volume | 1410.3 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0506 |
Residual factor for significantly intense reflections | 0.0376 |
Weighted residual factors for all reflections | 0.1058 |
Weighted residual factors for significantly intense reflections | 0.0973 |
Goodness-of-fit parameter for all reflections | 1.048 |
Goodness-of-fit parameter for significantly intense reflections | 1.081 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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