Information card for entry 2220781

Structure parameters

• Chemical name: <i>cis</i>-Bis[<i>N</i>-(2-furoyl)-<i>N</i>',<i>N</i>'-diphenylthioureato- κ^2^<i>O</i>,<i>S</i>]nickel(II)
• Formula: C36 H26 N4 Ni O4 S2
• Calculated formula: C36 H26 N4 Ni O4 S2
• SMILES: [Ni]12([S]=C(N=C(O2)c2occc2)N(c2ccccc2)c2ccccc2)[S]=C(N=C(O1)c1occc1)N(c1ccccc1)c1ccccc1
• Title of publication: <i>cis</i>-Bis[<i>N</i>-(2-furoyl)-<i>N</i>',<i>N</i>'-diphenylthioureato-κ^2^<i>O</i>,<i>S</i>]nickel(II)
• Authors of publication: Pérez, Hiram; Corrêa, Rodrigo S.; Plutín, Ana María; Calderón, Osmar; Duque, Julio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m242
• a: 10.0458 ± 0.0002 Å
• b: 11.003 ± 0.0003 Å
• c: 15.9718 ± 0.0003 Å
• α: 72.755 ± 0.002°
• β: 88.792 ± 0.002°
• γ: 74.874 ± 0.001°
• Cell volume: 1624.61 ± 0.07 ų
• Cell temperature: 294 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 significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes