Information card for entry 7708173

Structure parameters

• Chemical name: PhOPy(afaCy)2FeCl
• Formula: C35 H40 Cl Fe N5 O
• Calculated formula: C35 H40 Cl Fe N5 O
• Title of publication: Synthesis of a series of M(ii) (M = Mn, Fe, Co) chloride complexes with both inter- and intra-ligand hydrogen bonding interactions
• Authors of publication: Leahy, Clare A.; Drummond, Michael J.; Vura-Weis, Josh; Fout, Alison R.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 8.2743 ± 0.0003 Å
• b: 14.0697 ± 0.0005 Å
• c: 16.2126 ± 0.0006 Å
• α: 107.625 ± 0.002°
• β: 99.068 ± 0.002°
• γ: 106.032 ± 0.002°
• Cell volume: 1667.83 ± 0.11 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 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: 0.0532
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No