Information card for entry 7063218

Structure parameters

• Formula: C25 H18 Fe N2 O2
• Calculated formula: C25 H18 Fe N2 O2
• Title of publication: Effect of phenyl group on non-linear optical (NLO) and aggregation induced emission (AIE) studies of ferrocene conjugated linear D-π-A/ D-π-A-π-A chromophores
• Authors of publication: Viswanathan, Thamodharan; David, Ezhumalai; Prabu, Selvam; Mishra, Kamini; Prakash, Muthuramalingam; Shanmugan, Swaminathan; Palanisami, Nallasamy
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 7.3724 ± 0.0009 Å
• b: 9.8599 ± 0.0014 Å
• c: 13.615 ± 0.002 Å
• α: 83.109 ± 0.005°
• β: 84.277 ± 0.005°
• γ: 85.557 ± 0.005°
• Cell volume: 975.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0867
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No