Information card for entry 8102370

Structure parameters

• Common name: hydroxy phenyldiazenyl benzoic titanocene
• Formula: C25.5 H23 Cl N2 O3 Ti
• Calculated formula: C25.5 H23 Cl N2 O3 Ti
• Title of publication: Crystal structure of 5-[(E)-2-phenyl-1-diazenyl]-(2-hydroxy-benzenecarboxylato-O,O')titanocene - dichloromethane (1:0.5), (C6H7)2Ti(C13H8N2O3) · 0.5CH2Cl2
• Authors of publication: Jin-Ling Li; Zi-Wei Gao; Ling-Xiang Gao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 1
• Pages of publication: 111
• a: 13.092 ± 0.004 Å
• b: 8.784 ± 0.004 Å
• c: 39.589 ± 0.014 Å
• α: 90°
• β: 92.948 ± 0.008°
• γ: 90°
• Cell volume: 4547 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1045
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No