Information card for entry 7013863

Structure parameters

• Common name: 9
• Formula: C34 H46.68 N4 Zn0.66
• Calculated formula: C34 H46.678 N4 Zn0.661
• Title of publication: Pyridylpyrrolides as alternatives to cyclometalated phenylpyridine ligands: synthesis and characterization of luminescent zinc and boron pyridylpyrrolide complexes.
• Authors of publication: Klappa, Jamie J.; Geers, Sarah A.; Schmidtke, Sarah J.; MacManus-Spencer, Laura A; McNeill, Kristopher
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 883 - 891
• a: 10.6415 ± 0.0014 Å
• b: 10.8583 ± 0.0015 Å
• c: 27.459 ± 0.004 Å
• α: 90°
• β: 92.306 ± 0.002°
• γ: 90°
• Cell volume: 3170.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No