Information card for entry 7028992

Structure parameters

• Formula: C57 H48 N P3
• Calculated formula: C57 H48 N P3
• SMILES: N(Cc1c(P(c2ccccc2)c2ccccc2)cccc1)(Cc1c(P(c2ccccc2)c2ccccc2)cccc1)Cc1c(P(c2ccccc2)c2ccccc2)cccc1
• 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: 15.6653 ± 0.0016 Å
• b: 18.003 ± 0.0018 Å
• c: 18.1172 ± 0.0019 Å
• α: 98.534 ± 0.004°
• β: 112.551 ± 0.004°
• γ: 92.618 ± 0.004°
• Cell volume: 4637 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No