Information card for entry 7709708

Structure parameters

• Formula: C21 H16 B F2 N3 O
• Calculated formula: C21 H16 B F2 N3 O
• SMILES: F[B]1(F)[n]2c(c3[nH]c(C=O)cc3)ccc2=C(c2n1ccc2)c1ccc(cc1)C
• Title of publication: Synthesis, Structure, and Properties of Palladium(II) Complex of α-Formyl Pyrrolyl Dipyrromethene
• Authors of publication: Panchavarnam, Sabari; Sengupta, Rima; Ravikanth, Mangalampalli
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.1997 ± 0.0008 Å
• b: 15.3185 ± 0.0011 Å
• c: 22.49 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3513.9 ± 0.5 ų
• Cell temperature: 105 ± 7 K
• Ambient diffraction temperature: 105.15 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No