Information card for entry 7122396

Structure parameters

• Formula: C36 H69 Cl2 Fe O P3
• Calculated formula: C36 H69 Cl2 Fe O P3
• Title of publication: Triphos-Fe dinitrogen and dinitrogen-hydride complexes: relevance to catalytic N₂ reductions.
• Authors of publication: Cavaillé, Anthony; Joyeux, Benjamin; Saffon-Merceron, Nathalie; Nebra, Noel; Fustier-Boutignon, Marie; Mézailles, Nicolas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 84
• Pages of publication: 11953 - 11956
• a: 24.9372 ± 0.0011 Å
• b: 14.9752 ± 0.0006 Å
• c: 23.2922 ± 0.0016 Å
• α: 90°
• β: 116.275 ± 0.0018°
• γ: 90°
• Cell volume: 7799.5 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No