Information card for entry 2200778

Structure parameters

• Chemical name: Dichlorobis(3,4,5,6-tetrahydropyrimidinium-2-thiolato-S)cobalt(II)
• Formula: C8 H16 Cl2 Co N4 S2
• Calculated formula: C8 H16 Cl2 Co N4 S2
• SMILES: [Co]([S]=C1NCCCN1)([S]=C1NCCCN1)(Cl)Cl
• Title of publication: Dichlorobis(3,4,5,6-tetrahydropyrimidinium-2-thiolato-<i>S</i>)cobalt(II)
• Authors of publication: Ibrahim Abdul Razak; Anwar Usman; Hoong-Kun Fun; Bohari M. Yamin; Goh Wooi Keat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: m527 - m528
• a: 32.0245 ± 0.0014 Å
• b: 7.1329 ± 0.0003 Å
• c: 14.6141 ± 0.0006 Å
• α: 90°
• β: 116.864 ± 0.001°
• γ: 90°
• Cell volume: 2978 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes