Information card for entry 7028993

Structure parameters

• Formula: C44 H38 N2 P2
• Calculated formula: C44 H38 N2 P2
• SMILES: P(c1ccccc1)(c1ccccc1)c1ccccc1CN(Cc1c(P(c2ccccc2)c2ccccc2)cccc1)Cc1ncccc1
• Title of publication: Zinc and cobalt complexes based on tripodal ligands: synthesis, structure and reactivity toward lactide.
• Authors of publication: Tschan, Mathieu J.-L.; Guo, Jia; Raman, Sumesh K.; Brulé, Emilie; Roisnel, Thierry; Rager, Marie-Noelle; Legay, Rémi; Durieux, Guillaume; Rigaud, Baptiste; Thomas, Christophe M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4550 - 4564
• a: 14.0718 ± 0.0009 Å
• b: 13.558 ± 0.0008 Å
• c: 19.6384 ± 0.0009 Å
• α: 90°
• β: 98.664 ± 0.002°
• γ: 90°
• Cell volume: 3704 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No