Information card for entry 8104644

Structure parameters

• Formula: C33.5 H30 Cl N3 O6 Ti
• Calculated formula: C33.5 H30 Cl N3 O6 Ti
• Title of publication: The crystal structure of 1,1′-(((2 (dimethylamino)ethyl)azanediyl)bis(methylene)) bis(naphthalen-2-olato-κ4 N,N′,O,O′)-(pyridine-2,6-dicarboxylato-N,O,O′)- titanium(IV) ─ dichloromethane (2/1), C33H29N3O6Ti
• Authors of publication: Zhao, Tiankun; Wang, Peng; Ji, Mingyu; Li, Shanjia; Yang, Mingjun; Pu, Xiuying
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 985 - 987
• a: 27.4022 ± 0.0015 Å
• b: 14.0345 ± 0.0007 Å
• c: 17.0047 ± 0.001 Å
• α: 90°
• β: 116.009 ± 0.003°
• γ: 90°
• Cell volume: 5877.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No