Information card for entry 2206010

Structure parameters

• Chemical name: Bis(4-aminopyridinium) tetrathiocyanatocobalt(II)
• Formula: C14 H14 Co N8 S4
• Calculated formula: C14 H14 Co N8 S4
• SMILES: [Co](N=C=S)(N=C=S)(N=C=S)N=C=S.c1[nH+]ccc(N)c1.c1(cc[nH+]cc1)N
• Title of publication: Bis(4-aminopyridinium) tetrathiocyanatocobaltate(II)
• Authors of publication: Shi, Jing Min; Zhang, Feng Xia; Lu, Jian Jun; Liu, Lian Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1181 - m1182
• a: 14.118 ± 0.002 Å
• b: 9.1179 ± 0.0014 Å
• c: 16.756 ± 0.003 Å
• α: 90°
• β: 98.839 ± 0.002°
• γ: 90°
• Cell volume: 2131.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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 all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes