Information card for entry 4349494

Structure parameters

• Formula: C24 H20 Cl2 N4
• Calculated formula: C24 H20 Cl2 N4
• SMILES: Clc1nc2c(CCC3=C2Nc2c(NC43c3nc(Cl)ccc3CCC4)cccc2)cc1
• Title of publication: Magnesium and aluminum complexes bearing bis(5,6,7-trihydro quinolyl)-fused benzodiazepines for ε-caprolactone polymerization
• Authors of publication: Rajendran, Natesan Mannangatti; Xi, Yanxia; Zhang, Wenjuan; Braunstein, Pierre; Liang, Tongling; Sun, Wen-Hua
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 1317
• a: 19.07 ± 0.003 Å
• b: 19.07 ± 0.003 Å
• c: 12.81 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4658.5 ± 1.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No