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Information card for entry 7047780
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Coordinates | 7047780.cif |
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Original paper (by DOI) | HTML |
Common name | (^CF3^ap)3Mo . 2.5(CHCl3) . CH3CN |
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Chemical name | Tris-(2-(4-trifluoromethylphenyl)-amido-4,6-di-tert-butylphenoxide)molybdenum(VI) chloroform solvate acetonitrile solvate |
Formula | C67.5 H77.5 Cl7.5 F9 Mo N4 O3 |
Calculated formula | C67.5 H77.5 Cl7.5 F9 Mo N4 O3 |
Title of publication | Molybdenum(vi) tris(amidophenoxide) complexes. |
Authors of publication | Erickson, Alexander N.; Brown, Seth N. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 43 |
Pages of publication | 15583 - 15595 |
a | 14.1451 ± 0.0007 Å |
b | 15.0385 ± 0.001 Å |
c | 20.0036 ± 0.0009 Å |
α | 94.129 ± 0.002° |
β | 100.295 ± 0.002° |
γ | 117.96 ± 0.001° |
Cell volume | 3638.1 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0909 |
Residual factor for significantly intense reflections | 0.0581 |
Weighted residual factors for significantly intense reflections | 0.1475 |
Weighted residual factors for all reflections included in the refinement | 0.1655 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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