Information card for entry 7715059

Structure parameters

• Chemical name: [Cu(H2HAM)(OTf)2]
• Formula: C26 H12 Cu F6 N6 O6 S2
• Calculated formula: C26 H12 Cu F6 N6 O6 S2
• Title of publication: One-pot gram-scale rapid synthesis of MN₄ complexes with 14-membered ring macrocyclic ligand as a precursor for carbon-based ORR and CO₂RR catalysts.
• Authors of publication: Ogawa, Mana; Usami, Sayaka; Takahama, Ryo; Iwamoto, Kazuko; Nabeta, Tomomi; Kawashima, Shin; Kojima, Ryoichi; Ohyama, Junya; Hayakawa, Teruaki; Nabae, Yuta; Moriya, Makoto
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 4426 - 4431
• a: 8.5956 ± 0.0002 Å
• b: 18.2474 ± 0.0004 Å
• c: 8.9518 ± 0.0002 Å
• α: 90°
• β: 106.02 ± 0.002°
• γ: 90°
• Cell volume: 1349.54 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0437
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No