Information card for entry 1565746

Structure parameters

• Formula: C50 H62 N10 Nd2 O4 S8
• Calculated formula: C50 H62 N10 Nd2 O4 S8
• SMILES: c1cccc2C3=N[N](=Cc4ccccc4)[Nd]4567([O]3[Nd]389([n]12)(OCC)([S]=C(N1CCCC1)S3)([S]=C(S8)N1CCCC1)[N](=Cc1ccccc1)N=C(c1cccc[n]41)[O]59)(OCC)(SC(=[S]6)N1CCCC1)[S]=C(N1CCCC1)S7
• Title of publication: Dinuclear lanthanoid(III) dithiocarbamato complexes bridged by (E)-N-benzylidenepicolinohydrazonate: Syntheses, crystal structures and spectroscopic properties
• Authors of publication: Yakubu, Abdallah; Suzuki, Takayoshi; Kita, Masakazu
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2019
• Journal volume: 498
• Pages of publication: 119124
• a: 10.837 ± 0.0014 Å
• b: 11.4378 ± 0.0012 Å
• c: 12.4842 ± 0.0015 Å
• α: 79.633 ± 0.003°
• β: 87.7 ± 0.003°
• γ: 73.772 ± 0.003°
• Cell volume: 1461.4 ± 0.3 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No