Information card for entry 7243392

Structure parameters

• Formula: C74 H74 N8 O15 Zn2
• Calculated formula: C74 H74 N8 O15 Zn2
• SMILES: [Zn]12([O]=C(O1)/C(NC(=O)C)=C/c1ccccc1)(OC(=O)/C(NC(=O)C)=C/c1ccccc1)[n]1cccc3ccc4ccc[n]2c4c13.[Zn]123([O]=C(O1)/C(NC(=O)C)=C/c1ccccc1)([O]=C(O2)/C(NC(=O)C)=C/c1ccccc1)[n]1cccc2ccc4ccc[n]3c4c12.OCC.OCC.OCC
• 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: 16.8072 ± 0.0009 Å
• b: 16.4259 ± 0.0008 Å
• c: 24.7605 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6835.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1321
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No