Information card for entry 2203732

Structure parameters

• Chemical name: [N,N'-Bis(salicylidene)-1,3-propanediaminato](thiocyanato)(methanol)nickel(II)
• Formula: C19 H21 N3 Ni O3 S
• Calculated formula: C19 H21 N3 Ni O3 S
• Title of publication: [<i>N,N</i>'-Bis(salicylidene)-1,3-propanediaminato](methanol)(thiocyanato)nickel(II)
• Authors of publication: You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m805 - m807
• a: 10.508 ± 0.003 Å
• b: 12.998 ± 0.004 Å
• c: 15.266 ± 0.005 Å
• α: 90°
• β: 104.201 ± 0.004°
• γ: 90°
• Cell volume: 2021.4 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0525
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No