Information card for entry 4306666

Structure parameters

• Formula: C7 H22 Cl3 Co Cu N5 O2 S
• Calculated formula: C7 H22 Cl3 Co Cu N5 O2 S
• SMILES: [Co]123([S]([Cu](Cl)(Cl)Cl)C[C@H]([NH2]1)C(=O)O)([NH2]CC[NH2]2)[NH2]CC[NH2]3
• Title of publication: Control of 1D Wave versus 2D Honeycomb CoIIICdIICuI Heterotrimetallic Architectures by ΔL-ΛL Diastereoisomerism of l-Cysteinatocobalt(III) Building Units
• Authors of publication: Takashi Aridomi; Asako Igashira-Kamiyama; Takumi Konno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10202 - 10204
• a: 10.634 ± 0.003 Å
• b: 18.781 ± 0.003 Å
• c: 8.897 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1776.9 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No