Information card for entry 2239514

Structure parameters

• Common name: Bis(4-hydroxy-3-methoxybenzaldehyde 4-phenylthiosemicarbazonato-<i>N</i>^1^,S)nickel(II)
• Chemical name: Bis(4-hydroxy-3-methoxybenzaldehyde 4-phenylthiosemicarbazonato-<i>N</i>^1^,<i>S</i>)nickel(II)
• Formula: C30 H28 N6 Ni O4 S2
• Calculated formula: C30 H28 N6 Ni O4 S2
• SMILES: S1[Ni]2([N](=Cc3ccc(O)c(OC)c3)N=C1Nc1ccccc1)[N](=Cc1ccc(O)c(OC)c1)N=C(Nc1ccccc1)S2
• Title of publication: Bis(4-hydroxy-3-methoxybenzaldehyde 4-phenylthiosemicarbazonato-<i>N</i>^1^,<i>S</i>)nickel(II)
• Authors of publication: de Oliveira, Adriano Bof; Feitosa, Bárbara Regina Santos; Näther, Christian; Jess, Inke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: m195
• a: 6.808 ± 0.0004 Å
• b: 7.5569 ± 0.0004 Å
• c: 14.3902 ± 0.0008 Å
• α: 98.514 ± 0.004°
• β: 92.062 ± 0.005°
• γ: 102.698 ± 0.005°
• Cell volume: 712.47 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes