Information card for entry 4302333

Structure parameters

• Formula: C38 H34 Co Hg2 N13 O15 S2
• Calculated formula: C38 H34 Co Hg2 N13 O15 S2
• SMILES: [Hg]123([n]4ccccc4N4[Co]5678[n]9c(C4=O)cccc9C(=O)N5c4[n]([Hg]5([n]9c(N8C(=O)c8[n]7c(C(=O)N6c6[n]1cccc6)ccc8)cccc9)([O]=S(C)C)([O]=S(C)C)ON(=[O]5)=O)cccc4)(ON(=[O]2)=O)ON(=[O]3)=O
• Title of publication: Cobalt Complex as Building Blocks: Synthesis, Characterization, and Catalytic Applications of {Cd2±-Co3±-Cd2+} and {Hg2±-Co3±-Hg2+} Heterobimetallic Complexes
• Authors of publication: Mishra, Anurag; Ali, Afsar; Upreti, Shailesh; Whittingham, M. Stanley; Gupta, Rajeev
• Journal of publication: Inorganic chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5234 - 5243
• a: 19.2666 ± 0.0019 Å
• b: 19.0545 ± 0.0018 Å
• c: 25.546 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9378.3 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0958
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4338649
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No