Information card for entry 7249282

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: 9.4553 ± 0.0003 Å
• b: 9.5655 ± 0.0003 Å
• c: 18.0521 ± 0.0005 Å
• α: 84.509 ± 0.002°
• β: 85.684 ± 0.002°
• γ: 69.475 ± 0.003°
• Cell volume: 1520.53 ± 0.09 ų
• Cell temperature: 99.98 ± 0.13 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No