Information card for entry 7026906

Structure parameters

• Formula: C57 H50 N10 O5.67 Zn
• Calculated formula: C52 H40 N10 O4 Zn
• Title of publication: Novel metal complexes containing a chiral trinitrogen isoindoline-based pincer ligand: in situ synthesis and structural characterization.
• Authors of publication: Cryder, Jessica L.; Killgore, Andrew J.; Moore, Curtis; Golen, James A.; Rheingold, Arnold L.; Daley, Christopher J. A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 44
• Pages of publication: 10671 - 10677
• a: 19.3476 ± 0.0006 Å
• b: 19.3476 ± 0.0006 Å
• c: 11.5041 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3729.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No