Information card for entry 7007201

Structure parameters

• Formula: C34 H38 N2 O10 Ti2
• Calculated formula: C34 H38 N2 O10 Ti2
• SMILES: c12cccc3C(=O)O[Ti]4567([n]23)(O[Ti]2389%10%11([n]%12c(cccc%12C(=O)O3)C(=O)O2)[c]2([c]9([c]%10([c]%11([c]82C)C)C)C)C)(OC1=O)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C.O
• Title of publication: A new titanium building block for early-late heterometallic complexes; preparation of a new tetrameric metallomacrocycle by self assembly.
• Authors of publication: Fandos, Rosa; Gallego, Beatriz; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Terreros, Pilar; Pastor, Cesar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 22
• Pages of publication: 2683 - 2690
• a: 16.21 ± 0.002 Å
• b: 14.42 ± 0.003 Å
• c: 14.711 ± 0.004 Å
• α: 90°
• β: 104.87 ± 0.03°
• γ: 90°
• Cell volume: 3323.5 ± 1.3 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0521
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No