Information card for entry 7059810

Structure parameters

• Chemical name: bis((mu-N''-(2-oxybenzylidene)-N'''-(3-pyridyl)carbonohydrazido))-tetraoxo-di-molybdenum(vi) acetonitrile solvate
• Formula: C32 H28 Mo2 N12 O8
• Calculated formula: C32 H28 Mo2 N12 O8
• SMILES: [Mo]123(OC(=N[N]2=Cc2c(O1)cccc2)N/N=C/c1ccc[n]([Mo]24(Oc5c(cccc5)C=[N]4N=C(O2)N/N=C/c2c[n]3ccc2)(=O)=O)c1)(=O)=O.C(#N)C.CC#N
• Title of publication: Coordinating and supramolecular prospects of unsymmetrically substituted carbohydrazides
• Authors of publication: Topić, Edi; Landripet, Ivana; Duguin, Maëlle; Pisk, Jana; Đilović, Ivica; Vrdoljak, Višnja; Rubčić, Mirta
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 31
• Pages of publication: 13357 - 13367
• a: 11.3525 ± 0.0009 Å
• b: 13.6312 ± 0.0008 Å
• c: 12.5586 ± 0.0008 Å
• α: 90°
• β: 116.102 ± 0.009°
• γ: 90°
• Cell volume: 1745.2 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1846
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No