Information card for entry 7027228

Structure parameters

• Formula: C6 H20 Cl Co N4 O4 S2
• Calculated formula: C6 H20 Cl Co N4 O4 S2
• SMILES: [O-]Cl(=O)(=O)=O.[Co]123([NH2]CCS2)([NH2]CCS3)[NH2]CC[NH2]1
• Title of publication: Synthesis, characterisation and polynuclearisation reaction of trans(S)-[Co(aminothiolate-N,S )2(en)]-type cobalt(III) complexes with 2-aminoethanethiolate, L-cysteinate and D-penicillaminate
• Authors of publication: Yonemura, Toshiaki; Bai, Zhi-Ping; Okamoto, Ken-ichi; Ama, Tomoharu; Kawaguchi, Hiroshi; Yasui, Takaji; Hidaka, Jinsai
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 13
• Pages of publication: 2151
• a: 10.5077 ± 0.0006 Å
• b: 17.108 ± 0.001 Å
• c: 15.7022 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2822.7 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.962
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No