Information card for entry 7045370

Structure parameters

• Formula: C45 H52 Cl2 N4 O4 Ti
• Calculated formula: C45 H52 Cl2 N4 O4 Ti
• Title of publication: Fluorescent antitumor titanium(iv) salen complexes for cell imaging.
• Authors of publication: Tzubery, Avia; Melamed-Book, Naomi; Tshuva, Edit Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 3669 - 3673
• a: 16.232 ± 0.003 Å
• b: 16.059 ± 0.003 Å
• c: 16.43 ± 0.003 Å
• α: 90°
• β: 96.52 ± 0.003°
• γ: 90°
• Cell volume: 4255.1 ± 1.4 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.0655
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No