Information card for entry 7249805

Structure parameters

• Formula: C42 H26 Cl4 Fe N6 O9
• Calculated formula: C42 H26 Cl3.989 Fe N6 O9
• Title of publication: Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks
• Authors of publication: Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 931 - 938
• a: 8.9753 ± 0.0002 Å
• b: 10.8907 ± 0.0002 Å
• c: 20.9485 ± 0.0004 Å
• α: 85.702 ± 0.002°
• β: 80.124 ± 0.002°
• γ: 85.417 ± 0.002°
• Cell volume: 2006.95 ± 0.07 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0673
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No