Information card for entry 7224027

Structure parameters

• Chemical name: [6-(2'-Hydroxyphenyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine][salicylaldehydo]copper(II) perchlorate dimer methanol solvate
• Formula: C49 H42 Cl2 Cu2 N8 O15
• Calculated formula: C49 H42 Cl2 Cu2 N8 O15
• Title of publication: Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand
• Authors of publication: Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 11
• Pages of publication: 1892
• a: 15.2508 ± 0.001 Å
• b: 23.2887 ± 0.0016 Å
• c: 12.9853 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4612 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No