Information card for entry 2016119

Structure parameters

• Chemical name: mer-Bis(1,4-dibenzoylthiosemicarbazidato-κ^3^O,N,O')cobalt(II)
• Formula: C30 H24 Co N6 O4 S2
• Calculated formula: C30 H24 Co N6 O4 S2
• SMILES: [Co]1234(N(NC(=[O]1)c1ccccc1)C(=S)NC(=[O]2)c1ccccc1)N(NC(=[O]4)c1ccccc1)C(=S)NC(=[O]3)c1ccccc1
• Title of publication: <i>mer</i>-Bis(1,4-dibenzoylthiosemicarbazidato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cobalt(II)
• Authors of publication: Ke, Yuan-Zhen; Zheng, Leng-Feng; Luo, Jian-Hai; Huang, Xi-He; Huang, Chang-Cang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m343 - m345
• a: 24.493 ± 0.005 Å
• b: 12.355 ± 0.003 Å
• c: 19.539 ± 0.004 Å
• α: 90°
• β: 102.43 ± 0.03°
• γ: 90°
• Cell volume: 5774 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.128
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes