Information card for entry 7009629

Structure parameters

• Formula: C32 H29 Cl5 Mo N O P
• Calculated formula: C32 H29 Cl5 Mo N O P
• SMILES: [Mo]12345([P](CC(=[O]1)N(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)(Cl)(Cl)[cH]1[cH]2[cH]3[cH]4[cH]51.ClCCl
• 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: 11.1707 ± 0.0006 Å
• b: 11.811 ± 0.0006 Å
• c: 12.2717 ± 0.0008 Å
• α: 88.024 ± 0.003°
• β: 80.438 ± 0.002°
• γ: 79.718 ± 0.003°
• Cell volume: 1570.94 ± 0.16 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0386
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for all reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.0649
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No