Information card for entry 7032912

Structure parameters

• Formula: C40 H29 Co4 N5 O3 S10
• Calculated formula: C40 H29 Co4 N5 O3 S10
• SMILES: c12ccccc1sc1[n]2[Co]23[n]4c5ccccc5sc4S[Co]45[n]6c7ccccc7sc6S[Co]6([O]24[Co]([n]2c4ccccc4sc2S6)([n]2c4ccccc4sc2S5)[O]=C(C(C)(C)C)O3)S1
• Title of publication: A series of cobalt and nickel clusters based on thiol-containing ligands accompanied by in situ ligand formation.
• Authors of publication: Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 560 - 567
• a: 12.582 ± 0.003 Å
• b: 18.775 ± 0.004 Å
• c: 21.716 ± 0.007 Å
• α: 90°
• β: 116.95 ± 0.02°
• γ: 90°
• Cell volume: 4573 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No