Information card for entry 1571493

Structure parameters

• Chemical name: <i>mer</i>-Bis(quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate
• Formula: C26.33 H28.65 N8 Ni O S2
• Calculated formula: C26.328 H28.656 N8 Ni O S2
• Title of publication: mer-Bis(quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate
• Authors of publication: Awang Adam, Raudhatul Nadhirah; Keasberry, Natasha Ann; Sheikh Abdul Hamid, Malai Haniti
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 4
• a: 10.056 ± 0.0006 Å
• b: 21.3696 ± 0.0009 Å
• c: 12.5648 ± 0.0006 Å
• α: 90°
• β: 100.161 ± 0.002°
• γ: 90°
• Cell volume: 2657.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No