Information card for entry 7243390

Structure parameters

• Formula: C40 H52 N4 O10 Zn
• Calculated formula: C40 H52 N4 O10 Zn
• Title of publication: Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes
• Authors of publication: Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 35
• Pages of publication: 6199 - 6213
• a: 16.763 ± 0.002 Å
• b: 15.8859 ± 0.0019 Å
• c: 16.337 ± 0.002 Å
• α: 90°
• β: 108.155 ± 0.004°
• γ: 90°
• Cell volume: 4133.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0996
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No