Information card for entry 7045127

Structure parameters

• Formula: C76 H124 Cl2 Fe2 N2 P4
• Calculated formula: C76 H118 Cl2 Fe2 N2 P4
• Title of publication: Preparation and reactivity of iron complexes bearing anionic carbazole-based PNP-type pincer ligands toward catalytic nitrogen fixation.
• Authors of publication: Higuchi, Junichi; Kuriyama, Shogo; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1117 - 1121
• a: 23.0868 ± 0.0005 Å
• b: 14.8066 ± 0.0004 Å
• c: 24.7743 ± 0.0005 Å
• α: 90°
• β: 93.479 ± 0.007°
• γ: 90°
• Cell volume: 8453.2 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1432
• Residual factor for significantly intense reflections: 0.1168
• Weighted residual factors for significantly intense reflections: 0.2399
• Weighted residual factors for all reflections included in the refinement: 0.2535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No