Information card for entry 7224380

Structure parameters

• Formula: C44 H60 N8 O6 Ti2
• Calculated formula: C44 H60 N8 O6 Ti2
• SMILES: C(#N)C1=C(C#N)[N]2=Cc3cc(cc(c3O[Ti]32(N1)(OC(C)C)[O](C(C)C)[Ti]12(NC(=C(C#N)[N]1=Cc1cc(cc(c1O2)C(C)(C)C)C)C#N)(OC(C)C)[O]3C(C)C)C(C)(C)C)C
• Title of publication: Group 4 alkoxide complexes containing [NNO]-type scaffold: synthesis, structural characterization and polymerization studies
• Authors of publication: Mandal, Dipa; Chakraborty, Debashis; Ramkumar, Venkatachalam; Chand, Dillip Kumar
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 26
• Pages of publication: 21706
• a: 11.1634 ± 0.0004 Å
• b: 24.517 ± 0.0009 Å
• c: 17.6569 ± 0.0006 Å
• α: 90°
• β: 94.801 ± 0.001°
• γ: 90°
• Cell volume: 4815.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0538
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No