Information card for entry 7044267

Structure parameters

• Formula: C23 H19 Cl2 Mo N5 O2
• Calculated formula: C23 H19 Cl2 Mo N5 O2
• SMILES: [Mo]1234(Cl)(Cl)[n]5c(cccc5C(=[N]1N=C(O4)c1ccccc1)C)C(=[N]2N=C(O3)c1ccccc1)C
• 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: 8.5326 ± 0.0008 Å
• b: 14.1129 ± 0.0014 Å
• c: 19.7994 ± 0.0019 Å
• α: 90°
• β: 99.368 ± 0.002°
• γ: 90°
• Cell volume: 2352.4 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No