Information card for entry 7715442

Structure parameters

• Common name: 4
• Chemical name: 4
• Formula: C66 H78 Ba2 Cl Fe3 N6 O40
• Calculated formula: C66 H78 Ba2 Cl Fe3 N6 O40
• 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: 27.067 ± 0.007 Å
• b: 13.513 ± 0.003 Å
• c: 12.427 ± 0.002 Å
• α: 90°
• β: 101.042 ± 0.011°
• γ: 90°
• Cell volume: 4461.1 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No