Information card for entry 2013964

Structure parameters

• Common name: [Ni(fupy)~4~(NCS)~2~].THF
• Chemical name: tetrakis(furo[3,2-c]pyridine)bis(isothiocyanato)nickel(II) tetrahydrofuran solvate
• Formula: C34 H28 N6 Ni O5 S2
• Calculated formula: C34 H28 N6 Ni O5 S2
• Title of publication: Two furopyridine complexes of nickel(II) isothiocyanate
• Authors of publication: Miklovič, Jozef; Krutošíková, Alžbeta; Baran, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m227 - m230
• a: 9.4916 ± 0.001 Å
• b: 10.7191 ± 0.0011 Å
• c: 17.836 ± 0.0019 Å
• α: 99.58 ± 0.002°
• β: 92.278 ± 0.002°
• γ: 108.726 ± 0.002°
• Cell volume: 1686.2 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0444
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No