Information card for entry 7244624

Structure parameters

• Formula: C66 H64 Cd2 N8 O14
• Calculated formula: C66 H64 Cd2 N8 O14
• Title of publication: Influence of a series of pyridine ligands on the structure and photophysical properties of Cd(ii) complexes
• Authors of publication: Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 9.1064 ± 0.0007 Å
• b: 12.4497 ± 0.001 Å
• c: 14.1999 ± 0.0012 Å
• α: 101.718 ± 0.003°
• β: 106.897 ± 0.003°
• γ: 90.206 ± 0.003°
• Cell volume: 1504.9 ± 0.2 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: 0.0391
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No