Information card for entry 7207824

Structure parameters

• Common name: salicylaldehyde 4-phenylthiosemicarbazone)-(salicylaldehyde 4-phenylthiosemicarbazonato)-nickel(ii) methanol (1/1) solvate
• Chemical name: (salicylaldehyde 4-phenylthiosemicarbazone)-(salicylaldehyde 4-phenylthiosemicarbazonato)-nickel(ii) methanol (1/1) solvate
• Formula: C29 H28 N6 Ni O3 S2
• Calculated formula: C29 H28 N6 Ni O3 S2
• SMILES: [Ni]12(Oc3c(cccc3)C=[N]2N=C(S1)Nc1ccccc1)[S]=C(Nc1ccccc1)N/N=C/c1c(O)cccc1.OC
• Title of publication: Three routes to nickel(ii) salicylaldehyde 4-phenyl and 4-methylthiosemicarbazonato complexes: mechanochemical, electrochemical and conventional approach
• Authors of publication: Cindrić, Marina; Uzelac, Marina; Cinčić, Dominik; Halasz, Ivan; Pavlović, Gordana; Hrenar, Tomica; Ćurić, Manda; Kovačević, Davor
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 3039
• a: 19.386 ± 0.002 Å
• b: 18.7538 ± 0.0017 Å
• c: 7.9689 ± 0.0013 Å
• α: 90°
• β: 99.188 ± 0.013°
• γ: 90°
• Cell volume: 2860 ± 0.6 ų
• Ambient diffraction temperature: 296 ± 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: 0.1694
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No