Information card for entry 2219233

Structure parameters

• Chemical name: Aqua(hexamethylenetetramine-κN)bis(methanol-κO)bis(thiocyanato-κN)cobalt(II)
• Formula: C10 H22 Co N6 O3 S2
• Calculated formula: C10 H22 Co N6 O3 S2
• SMILES: [Co](N=C=S)(N=C=S)([N]12CN3CN(C1)CN(C2)C3)([OH]C)([OH]C)[OH2]
• Title of publication: Aqua(hexamethylenetetramine-κ<i>N</i>)bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)
• Authors of publication: Shang, Wei-Li; Bai, Yan; Ma, Chao-Zhong; Li, Zhi-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1184 - m1185
• a: 14.1128 ± 0.0008 Å
• b: 15.3684 ± 0.0009 Å
• c: 15.9839 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3466.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0752
• 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: No
• Has Fobs: Yes