Information card for entry 7004218

Structure parameters

• Formula: C40.36 H54.43 Cl Fe N3 O3.36
• Calculated formula: C40.357 H54.4288 Cl Fe N3 O3.357
• Title of publication: Synthesis, structures and catalytic properties of iron(iii) complexes with asymmetric N-capped tripodal NO3 ligands and a pentadentate N2O3 ligand
• Authors of publication: Tong, Lok H.; Wong, Yee-Lok; Pascu, Sofia I.; Dilworth, Jonathan R.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 35
• Pages of publication: 4784 - 4791
• a: 11.2778 ± 0.0002 Å
• b: 13.6398 ± 0.0003 Å
• c: 14.0391 ± 0.0003 Å
• α: 94.0494 ± 0.0011°
• β: 94.794 ± 0.0011°
• γ: 112.592 ± 0.0011°
• Cell volume: 1974.47 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0678
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0417
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No