Information card for entry 7009630

Structure parameters

• Formula: C36 H37 B Cl3 F4 Mo N O P
• Calculated formula: C36 H37 B Cl3 F4 Mo N O P
• SMILES: [Mo]12345(Cl)(Cl)(Cl)([P](CC(=[O]1)N(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.[B](F)(F)(F)[F-]
• Title of publication: Half-sandwich complexes of molybdenum-(III), -(IV) and -(V) with P‒O and P‒N bifunctional ligands Ph2PCH2X (X = 2-oxazolinyl, or C(O)NPh2)
• Authors of publication: Camus, Jean-Michel; Morales, Dolores; Andrieu, Jacques; Richard, Philippe; Poli, Rinaldo; Braunstein, Pierre; Naud, Frédéric
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 15
• Pages of publication: 2577
• a: 12.354 ± 0.001 Å
• b: 14.895 ± 0.001 Å
• c: 19.937 ± 0.001 Å
• α: 90°
• β: 106.961 ± 0.002°
• γ: 90°
• Cell volume: 3509.1 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 9
• 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: 0.096
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections: 0.1537
• Weighted residual factors for significantly intense reflections: 0.1368
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No