Information card for entry 7055757

Structure parameters

• Chemical name: (1E,2E)-1-{amino[(4-ethenylbenzyl)sulfanyl]methylidene}-2-benzylidenehydrazinium chloride - methanol (1:1:1)
• Formula: C18 H22 Cl N3 O S
• Calculated formula: C18 H22 Cl N3 O S
• SMILES: S(Cc1ccc(cc1)C=C)/C(N)=[NH+]/N=C/c1ccccc1.OC.[Cl-]
• Title of publication: Magnetic nanoparticles with chelating shells prepared by RAFT/MADIX polymerization
• Authors of publication: Markiewicz, Karolina H.; Zembko, Paula; Półtorak, Katarzyna; Misztalewska, Iwona; Wojtulewski, Sławomir; Majcher, Anna M.; Fornal, Emilia; Wilczewska, Agnieszka Z.
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 11
• Pages of publication: 9223
• a: 9.4176 ± 0.0002 Å
• b: 10.2256 ± 0.0002 Å
• c: 11.864 ± 0.0003 Å
• α: 67.799 ± 0.002°
• β: 68.787 ± 0.002°
• γ: 66.31 ± 0.002°
• Cell volume: 938.48 ± 0.04 ų
• Cell temperature: 100.1 ± 0.6 K
• Ambient diffraction temperature: 100.1 ± 0.6 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: 0.0656
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No