Information card for entry 7243391

Structure parameters

• Formula: C48 H53 N5 O10 Zn
• Calculated formula: C48 H53 N5 O10 Zn
• SMILES: [Zn]12(OC(=O)/C(NC(=O)C)=C/c3ccccc3)(OC(=O)/C(NC(=O)C)=C/c3ccccc3)[n]3ccccc3c3[n]1c(cc(c3)c1ccc(cc1)C)c1[n]2cccc1.OC.OC.OC.OC
• 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: 11.8153 ± 0.0009 Å
• b: 12.2801 ± 0.0011 Å
• c: 17.4928 ± 0.0016 Å
• α: 108.449 ± 0.004°
• β: 96.437 ± 0.004°
• γ: 102.812 ± 0.004°
• Cell volume: 2301.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No