Information card for entry 7715473

Structure parameters

• Chemical name: PyFePcNFePorPy
• Formula: C360 H232 Cl48 Fe8 I12 N60
• Calculated formula: C360 H232 Cl48 Fe8 I12 N60
• Title of publication: Effect of porphyrin ligands on the catalytic CH₄ oxidation activity of monocationic μ-nitrido-bridged iron porphyrinoid dimers by using H₂O₂ as an oxidant.
• Authors of publication: Yamada, Yasuyuki; Miwa, Yusuke; Toyoda, Yuka; Uno, Yoshiki; Phung, Quan Manh; Tanaka, Kentaro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 6556 - 6567
• a: 15.1304 ± 0.0017 Å
• b: 20.032 ± 0.002 Å
• c: 29.169 ± 0.003 Å
• α: 90°
• β: 92.653 ± 0.007°
• γ: 90°
• Cell volume: 8831.4 ± 1.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.2366
• Weighted residual factors for all reflections included in the refinement: 0.2427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0312
• Diffraction radiation wavelength: 0.4129 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No