Information card for entry 7249283

Structure parameters

• Formula: C27 H35 Cl0.51 Co I1.49 N5 O4.05
• Calculated formula: C27 H35 Cl0.513 Co I1.487 N5 O4.052
• 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: 9.8084 ± 0.0002 Å
• b: 16.5786 ± 0.0003 Å
• c: 20.3177 ± 0.0003 Å
• α: 90°
• β: 92.489 ± 0.002°
• γ: 90°
• Cell volume: 3300.73 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No