Information card for entry 7708172

Structure parameters

• Chemical name: PhOPy(afaCy)2MnCl
• Formula: C35 H40 Cl Mn N5 O
• Calculated formula: C35 H40 Cl Mn 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: 8.2117 ± 0.0002 Å
• b: 13.3475 ± 0.0004 Å
• c: 14.2019 ± 0.0004 Å
• α: 98.8761 ± 0.0009°
• β: 95.6991 ± 0.0009°
• γ: 92.0161 ± 0.0009°
• Cell volume: 1528.34 ± 0.07 ų
• Cell temperature: 100.01 K
• Ambient diffraction temperature: 100.01 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: 0.0337
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No