Information card for entry 7715443

Structure parameters

• Common name: 3
• Chemical name: 3
• Formula: C45 H49 Fe2 K2 N4 O19
• Calculated formula: C45 H52 Fe2 K2 N4 O19
• Title of publication: Water-soluble chiral coordination polymers of Li⁺, Na⁺, K⁺, and Ba²⁺ with an anionic iron(III) complex of a L-threonine derivative and a significant red shift of visible spectra with Al³⁺ salt.
• Authors of publication: Long, Chanreingam; Ray, Manabendra
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 6642 - 6652
• a: 7.8208 ± 0.0011 Å
• b: 17.044 ± 0.002 Å
• c: 19.28 ± 0.003 Å
• α: 90°
• β: 94.509 ± 0.004°
• γ: 90°
• Cell volume: 2562 ± 0.6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No