Information card for entry 7047317

Structure parameters

• Formula: C30 H36 Cl Fe N4 O3
• Calculated formula: C60 H72 Cl2 Fe2 N8 O6
• 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: 19.2723 ± 0.0014 Å
• b: 20.5184 ± 0.0009 Å
• c: 15.9246 ± 0.0008 Å
• α: 90°
• β: 106.818 ± 0.007°
• γ: 90°
• Cell volume: 6027.8 ± 0.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No