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Information card for entry 4105940
Preview
Coordinates | 4105940.cif |
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Original paper (by DOI) | HTML |
Common name | Chisholm 1774 |
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Formula | C94 H84 B2 F30 Mo2 N2 O10 |
Calculated formula | C94 H84 B2 F30 Mo2 N2 O10 |
Title of publication | Extent of M2δ to Ligand π-Conjugation in Neutral and Mixed Valence States of Bis(4-isonicotinate)-bis(2,4,6-triisopropylbenzoate) Dimetal Complexes (MM), Where M = Mo or W, and Their Adducts with Tris(pentafluorophenyl)boron |
Authors of publication | Philip Bunting; Malcolm H. Chisholm; Judith C. Gallucci; Benjamin J. Lear |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 5873 - 5881 |
a | 10.4023 ± 0.0001 Å |
b | 15.7963 ± 0.0001 Å |
c | 16.9541 ± 0.0001 Å |
α | 115.641 ± 0.001° |
β | 94.922 ± 0.001° |
γ | 96.875 ± 0.001° |
Cell volume | 2463.82 ± 0.04 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0381 |
Residual factor for significantly intense reflections | 0.0316 |
Weighted residual factors for significantly intense reflections | 0.0835 |
Weighted residual factors for all reflections included in the refinement | 0.0865 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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