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Information card for entry 7016806
Preview
Coordinates | 7016806.cif |
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Original paper (by DOI) | HTML |
Formula | C116 H168 Mo4 O24 S8 |
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Calculated formula | C116 H168 Mo4 O24 S8 |
Title of publication | Synthesis and characterization of trans-M(2)(T(i)PB)(2)(O(2)C-CH[double bond, length as m-dash]CH-2-C(4)H(3)S)(2) (M = Mo or W) and comments on the metal-to-ligand charge transfer bands in MM quadruply bonded complexes of the type trans-M(2)(T(i)PB)(2)L(2), where T(i)PB = 2,4,6-triisopropylbenzoate and L = π-accepting carboxylate ligand. |
Authors of publication | Alberding, Brian G.; Chisholm, Malcolm H.; Lear, Benjamin J.; Naseri, Vesal; Reed, Carly R. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 40 |
Pages of publication | 10658 - 10663 |
a | 13.9371 ± 0.0001 Å |
b | 15.6806 ± 0.0001 Å |
c | 16.265 ± 0.0001 Å |
α | 72.1801 ± 0.0003° |
β | 83.7171 ± 0.0003° |
γ | 70.2194 ± 0.0003° |
Cell volume | 3184.31 ± 0.04 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0568 |
Residual factor for significantly intense reflections | 0.0479 |
Weighted residual factors for significantly intense reflections | 0.1202 |
Weighted residual factors for all reflections included in the refinement | 0.1262 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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