Information card for entry 4315274

Structure parameters

• Formula: C20 H46 Cl4 Co N7 O15 S
• Calculated formula: C20 H44 Cl4 Co N7 O15 S
• SMILES: [Co]12345[NH]6CC7([NH2+]Cc8cscc8)C[NH]2CC[NH]3CC(C[NH]1CC6)(C[NH]5CC[NH]4C7)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[Cl-].O.O.O
• Title of publication: Structural and Electrochemical Studies of Co(III) Cage Amine Complexes with Pendent Thienylmethylamino Groups
• Authors of publication: Jack M. Harrowfield; George A. Koutsantonis; Nigel A. Lengkeek; Brian W. Skelton; Allan H. White
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3152 - 3161
• a: 11.5396 ± 0.0003 Å
• b: 14.5424 ± 0.0004 Å
• c: 19.7738 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3318.31 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.056
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No