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Information card for entry 4332390
Preview
Coordinates | 4332390.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H48 Mo2 O6 P2 Pd2 |
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Calculated formula | C40 H48 Mo2 O6 P2 Pd2 |
SMILES | [P]([Pd]123456C(=O)[Mo]789%10%11%122([C]1(=O)[Pd]126%12([P](CC)(CC)CC)(C(=O)[Mo]6%12%13%1452(C3=O)([C]41=O)[cH]1[cH]6[cH]%12[cH]%13[c]%141c1ccccc1)C%11=O)[cH]1[cH]7[cH]8[cH]9[c]%101c1ccccc1)(CC)(CC)CC |
Title of publication | Comparative Bonding Behavior of Functional Cyclopentadienyl Ligands and Boron-Containing Analogues in Heterometallic Complexes and Clusters† |
Authors of publication | Croizat, Pierre; Auvray, Nicolas; Braunstein, Pierre; Welter, Richard |
Journal of publication | Inorganic Chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 15 |
Pages of publication | 5852 - 5866 |
a | 10.9789 ± 0.001 Å |
b | 14.453 ± 0.002 Å |
c | 13.274 ± 0.002 Å |
α | 90° |
β | 105.73 ± 0.05° |
γ | 90° |
Cell volume | 2027.4 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1875 |
Residual factor for significantly intense reflections | 0.0866 |
Weighted residual factors for significantly intense reflections | 0.086 |
Weighted residual factors for all reflections included in the refinement | 0.1087 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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