Information card for entry 7000124

Structure parameters

• Formula: C19 H18 F6 Mo N3 O3 P
• Calculated formula: C19 H18 F6 Mo N3 O3 P
• SMILES: [Mo]123(=O)(=O)Oc4c(C[N]3(Cc3[n]1cccc3)Cc1[n]2cccc1)cccc4.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and characterization of molybdenum oxo complexes of two tripodal ligands: reactivity studies of a functional model for molybdenum oxotransferases.
• Authors of publication: Thapper, Anders; Behrens, Axel; Fryxelius, Jacob; Johansson, Maria H.; Prestopino, Fabio; Czaun, Miklós; Rehder, Dieter; Nordlander, Ebbe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 21
• Pages of publication: 3566 - 3571
• a: 8.4549 ± 0.0017 Å
• b: 9.282 ± 0.0019 Å
• c: 14.303 ± 0.003 Å
• α: 89.61 ± 0.03°
• β: 78.13 ± 0.03°
• γ: 76.02 ± 0.03°
• Cell volume: 1064.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0987
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No