Information card for entry 7044266

Structure parameters

• Formula: C24 H20 Cl5 Mo N5 O2
• Calculated formula: C24 H20 Cl5 Mo N5 O2
• SMILES: [Mo]1234(Cl)(OC(=N[N]3=C(c3[n]1c(ccc3)C(=[N]4N=C(O2)c1ccccc1)C)C)c1ccccc1)Cl.ClC(Cl)Cl
• Title of publication: New Mo(IV) complex with the pentadentate (N3O2) Schiff-base ligand: The first non-cyanide pentagonal-bipyramidal paramagnetic 4d complex
• Authors of publication: Mironov, Vladimir Sergeevich; Bazhenova, Tamara A.; Manakin, Yuriy; Lyssenko, Konstantin; Talantsev, Artem Dmitrievich; Yagubskii, Eduard B.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.494 ± 0.003 Å
• b: 13.523 ± 0.003 Å
• c: 14.425 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2632.3 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No