Information card for entry 7719773

Structure parameters

• Formula: C52 H38 N2 P2
• Calculated formula: C52 H38 N2 P2
• Title of publication: A tetradentate benzannulated P^N^N^P ligand and its Fe(II) complex: synthesis, characterization, and electrocatalytic hydrogen evolution.
• Authors of publication: Sidhu, Baldeep K.; Kacperkiewicz, Amelia; Braun, Jason D.; Herbert, David E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 46
• Pages of publication: 17211 - 17220
• a: 9.3919 ± 0.0006 Å
• b: 14.2984 ± 0.0009 Å
• c: 17.6937 ± 0.0011 Å
• α: 80.538 ± 0.002°
• β: 80.003 ± 0.002°
• γ: 76.315 ± 0.002°
• Cell volume: 2254.6 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No