Information card for entry 1557431

Structure parameters

• Common name: [Ni(CTH)(NCS)2]
• Formula: C18 H36 N6 Ni S2
• Calculated formula: C18 N6 Ni S2
• Title of publication: Crystal Structure of [Ni(CTH)(NCS)2] with Linearly and Nonlinearly Coordinated Isothiocyanate Groups
• Authors of publication: Colacio, Enrique; Dominquez-Vera, Jose M.; Escuer, Albert; Kivekas, Raikko; Klinga, Martti; Romerosa, Antonio
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1996
• Journal volume: 50
• Pages of publication: 178 - 180
• a: 8.049 ± 0.002 Å
• b: 9.134 ± 0.002 Å
• c: 15.488 ± 0.003 Å
• α: 94.22 ± 0.03°
• β: 97.53 ± 0.03°
• γ: 92.97 ± 0.03°
• Cell volume: 1123.6 ± 0.4 ų
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1749
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No