Information card for entry 7008127

Structure parameters

• Formula: C15 H17 F3 Mo N6 O5 S
• Calculated formula: C15 H17 F3 Mo N6 O5 S
• SMILES: [Mo]12(C#[O])([n]3cc[nH]c3)([n]3cc[nH]c3)([n]3cc[nH]c3)(C#[O])[CH2]=[CH]1C2.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: New [Mo(eta3-allyl)(CO)2L3]+ complexes with monodentate or tridentate nitrogen-donor ligands.
• Authors of publication: Pérez, Julio; Morales, Dolores; Nieto, Sonia; Riera, Lucía; Riera, Víctor; Miguel, Daniel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 5
• Pages of publication: 884 - 888
• a: 21.9 ± 0.005 Å
• b: 26.529 ± 0.006 Å
• c: 7.3441 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4266.8 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No