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Information card for entry 4310265
Preview
Coordinates | 4310265.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (ButCOO)2Mo(PMe3)3H2 |
---|---|
Formula | C19 H47 Mo O4 P3 |
Calculated formula | C19 H47 Mo O4 P3 |
SMILES | [MoH2]1([O]=C(O1)C(C)(C)C)(OC(=O)C(C)(C)C)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C |
Title of publication | Synthesis and Structural Characterization of M(PMe3)3(O2CR)2(OH2)H2 (M = Mo, W): Aqua-Hydride Complexes of Molybdenum and Tungsten |
Authors of publication | Guang Zhu; Gerard Parkin |
Journal of publication | Inorganic Chemistry |
Year of publication | 2005 |
Journal volume | 44 |
Pages of publication | 9637 - 9639 |
a | 11.0624 ± 0.0007 Å |
b | 16.4631 ± 0.0011 Å |
c | 15.3066 ± 0.0009 Å |
α | 90° |
β | 92.591 ± 0.001° |
γ | 90° |
Cell volume | 2784.8 ± 0.3 Å3 |
Cell temperature | 243 ± 2 K |
Ambient diffraction temperature | 243 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0318 |
Residual factor for significantly intense reflections | 0.0241 |
Weighted residual factors for significantly intense reflections | 0.0617 |
Weighted residual factors for all reflections included in the refinement | 0.0646 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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