Information card for entry 7047318

Structure parameters

• Formula: C30 H34 Fe I N4 O2
• Calculated formula: C30 H34 Fe I N4 O2
• Title of publication: Solvatomorphism and anion effects in predominantly low spin iron(iii) Schiff base complexes.
• Authors of publication: Boonprab, Theerapoom; Harding, Phimphaka; Murray, Keith S.; Phonsri, Wasinee; Telfer, Shane G.; Alkaş, Adil; Ketkaew, Rangsiman; Tantirungrotechai, Yuthana; Jameson, Guy N. L.; Harding, David J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 35
• Pages of publication: 12449 - 12458
• a: 16.203 ± 0.003 Å
• b: 21.769 ± 0.003 Å
• c: 19.85 ± 0.004 Å
• α: 90°
• β: 108.591 ± 0.008°
• γ: 90°
• Cell volume: 6636 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.1005
• Weighted residual factors for significantly intense reflections: 0.2551
• Weighted residual factors for all reflections included in the refinement: 0.2618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No