Information card for entry 1571723

Structure parameters

• Formula: C42 H32 F6 Fe Ir N4 P
• Calculated formula: C42 H32 F6 Fe Ir N4 P
• SMILES: [Ir]123([n]4ccccc4c4ccccc24)([n]2ccccc2c2ccccc32)[n]2ccccc2c2[n]1cc(cc2)[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]6[cH]7[cH]8[cH]91.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Boosting photocatalytic efficiency of iridium polypyridyl complex in coupling reaction through the induction of ferrocene: insights into bimetallic catalysis
• Authors of publication: Gayen, Firdaus Rahaman; Chawla, Sakshi; Bora, Debashree; Borkotoky, Lodsna; Gazi, Sarifuddin; Mallick, Dibyendu; Maurya, Ram Awatar; De, Arijit Kumar; Saha, Biswajit
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 3618 - 3628
• a: 16.7116 ± 0.0001 Å
• b: 14.0718 ± 0.0001 Å
• c: 15.4454 ± 0.0001 Å
• α: 90°
• β: 96.098 ± 0.001°
• γ: 90°
• Cell volume: 3611.62 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No