Information card for entry 4326785

Structure parameters

• Formula: C16 H18 Co2 N10 S4
• Calculated formula: C16 H18 Co2 N10 S4
• SMILES: [Co]([N]#CS[Co]([N]#CC)([N]#CC)([N]#CC)([N]#CC)[N]#CC)(N=C=S)(N=C=S)N=C=S.N#CC
• Title of publication: Dinuclear [CoII(NCMe)5CoII(NCS)4] Possessing Octahedral and Tetrahedral CoIISites
• Authors of publication: Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Joel S. Miller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10546 - 10548
• a: 9.6785 ± 0.0005 Å
• b: 13.9686 ± 0.0008 Å
• c: 19.821 ± 0.0011 Å
• α: 90°
• β: 91.354 ± 0.001°
• γ: 90°
• Cell volume: 2679 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0197
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No