Information card for entry 2223618

Structure parameters

• Common name: Bis(2,3,5-triphenyltetrazolium) tetrathiocyanatocobaltate(II)
• Formula: C42 H30 Co N12 S4
• Calculated formula: C42 H30 Co N12 S4
• SMILES: [Co](N=C=S)(N=C=S)(N=C=S)N=C=S.n1(nc(n[n+]1c1ccccc1)c1ccccc1)c1ccccc1.n1(nc(n[n+]1c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Bis(2,3,5-triphenyltetrazolium) tetrathiocyanatocobaltate(II)
• Authors of publication: Nakashima, Kouichi; Kawame, Naoyuki; Kawamura, Yoshiko; Tamada, Osamu; Yamauchi, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1406 - m1407
• a: 9.5667 ± 0.0002 Å
• b: 49.7156 ± 0.0011 Å
• c: 18.9036 ± 0.0007 Å
• α: 90°
• β: 102.81 ± 0.003°
• γ: 90°
• Cell volume: 8767 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes