Information card for entry 8000000

Structure parameters

• Formula: C12 H44 Cd Cl6 Co2 N10 O8 S2
• Calculated formula: C12 H44 Cd Cl6 Co2 N10 O8 S2
• SMILES: [Cd](Cl)(Cl)(Cl)(Cl)([S]1[Co]23([NH2]CC1)([NH2]CC[NH2]2)[NH2]CC[NH2]3)[S]1[Co]23([NH2]CC1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: The First S-Bridged CoIIICdIICoIII and CoIIICdII2CoIII Structures Controlled by Chirality of Mono(thiolato)-Type Cobalt(III) Units
• Authors of publication: Takashi Aridomi; Tatsuya Kawamoto; Asako Igashira-Kamiyama; Takumi Konno
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 292
• a: 8.5547 ± 0.0014 Å
• b: 13.8816 ± 0.0014 Å
• c: 13.5666 ± 0.0013 Å
• α: 90°
• β: 96.041 ± 0.01°
• γ: 90°
• Cell volume: 1602.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.153
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No