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Information card for entry 4518271
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Coordinates | 4518271.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 3 |
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Formula | C77 H61 B F33 Mo N3 O |
Calculated formula | C77 H61 B F33 Mo N3 O |
Title of publication | Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach |
Authors of publication | Benedikter, Mathis; Musso, Janis; Kesharwani, Manoj K.; Sterz, K. Leonard; Elser, Iris; Ziegler, Felix; Fischer, Felix; Plietker, Bernd; Frey, Wolfgang; Kästner, Johannes; Winkler, Mario; van Slageren, Joris; Nowakowski, Michal; Bauer, Matthias; Buchmeiser, Michael R. |
Journal of publication | ACS Catalysis |
Year of publication | 2020 |
Pages of publication | 14810 - 14823 |
a | 12.9087 ± 0.0007 Å |
b | 16.1499 ± 0.0009 Å |
c | 20.173 ± 0.0011 Å |
α | 101.303 ± 0.002° |
β | 101.414 ± 0.003° |
γ | 103.356 ± 0.002° |
Cell volume | 3879.9 ± 0.4 Å3 |
Cell temperature | 135 ± 2 K |
Ambient diffraction temperature | 135 ± 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 | 0.0672 |
Residual factor for significantly intense reflections | 0.0431 |
Weighted residual factors for significantly intense reflections | 0.1062 |
Weighted residual factors for all reflections included in the refinement | 0.115 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4518271.html
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