Information card for entry 7054643

Structure parameters

• Formula: C22 H34 Cl4 Co N4
• Calculated formula: C22 H34 Cl4 Co N4
• Title of publication: Synthesis, characterization and crystal structures of mono and dinuclear macrocyclic cobalt(ii) complexes with a new tetraaza m-xylyl-based macrocyclic ligand
• Authors of publication: Khandar, Ali Akbar; Kirschbaum, Kristin; Abedi, Marjan; Mock, Kristi; Tracy, Greg; Spasojevic, Vojislav; Hosseini-Yazdi, Seyed Abolfazl
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 4
• Pages of publication: 2822
• a: 8.8736 ± 0.0002 Å
• b: 13.6929 ± 0.0003 Å
• c: 21.0647 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2559.47 ± 0.11 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• 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: 0.085
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No