Information card for entry 7717774

Structure parameters

• Formula: C49 H51 F6 Mo N5 O8 P2 S2
• Calculated formula: C49 H51 F6 Mo N5 O8 P2 S2
• 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: 22.4003 ± 0.0007 Å
• b: 10.8477 ± 0.0005 Å
• c: 23.697 ± 0.001 Å
• α: 90°
• β: 95.741 ± 0.003°
• γ: 90°
• Cell volume: 5729.3 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections: 0.3045
• Weighted residual factors for significantly intense reflections: 0.2946
• Weighted residual factors for all reflections included in the refinement: 0.3041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3815
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No