Information card for entry 7717773

Structure parameters

• Formula: C51 H35 F6 Mo N5 O2 P2
• Calculated formula: C51 H35 F6 Mo N5 O2 P2
• Title of publication: Synthesis and characterization of heptacoordinated molybdenum(II) complexes supported with 2,6-bis(pyrazol-3-yl)pyridine (bpp) ligands.
• Authors of publication: Estival, Arno; Blancarte, Luis E.; Pinto, Loïc; Pointis, Romane; Galas, Nathan; Sournia-Saquet, Alix; Vendier, Laure; Santillan, Rosa; Farfán, Norberto; Sortais, Jean-Baptiste; Grellier, Mary; Simonneau, Antoine
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 2860 - 2870
• a: 13.61346 ± 0.00007 Å
• b: 19.90355 ± 0.0001 Å
• c: 16.9694 ± 0.00008 Å
• α: 90°
• β: 101.848 ± 0.0005°
• γ: 90°
• Cell volume: 4500.01 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections: 0.1183
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9877
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No