Information card for entry 7249286

Structure parameters

• Formula: C29 H35 Co N7 O2 S2
• Calculated formula: C29 H35 Co N7 O2 S2
• Title of publication: Synthesis, structural and magnetic properties of cobalt(ii) complexes with pyridine-based macrocyclic ligand containing two pyridine pendant arms
• Authors of publication: Zahradníková, Eva; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 38
• Pages of publication: 28138 - 28147
• a: 9.2098 ± 0.0001 Å
• b: 32.9484 ± 0.0003 Å
• c: 9.7803 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2967.81 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for all reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9526
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No