Information card for entry 4304788

Structure parameters

• Formula: C23 H42 Co N12 O P3 S3
• Calculated formula: C23 H42 Co N12 O P3 S3
• Title of publication: Extending the Coordination Chemistry of 1,3,5-Triaza-7-phosphaadamantane (PTA) to Cobalt Centers: First Examples of Co-PTA Complexes and of a Metal Complex with the PTA Oxide Ligand
• Authors of publication: Łukasz Jaremko; Alexander M. Kirillov; Piotr Smoleński; Tadeusz Lis; Armando J. L. Pombeiro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2922 - 2924
• a: 9.703 ± 0.007 Å
• b: 15.243 ± 0.012 Å
• c: 10.459 ± 0.008 Å
• α: 90°
• β: 92.8 ± 0.06°
• γ: 90°
• Cell volume: 1545 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No