Information card for entry 4322316

Structure parameters

• Formula: C4 H4 Cl0.67 Fe0.33 N6 O2.67
• Calculated formula: C12 H12 Cl2 Fe N18 O8
• Title of publication: Two-Step Spin Conversion for the Three-Dimensional Compound Tris(4,4'-bis-1,2,4-triazole)iron(II) Diperchlorate
• Authors of publication: Yann Garcia; Olivier Kahn; Louis Rabardel; Benoit Chansou; Lionel Salmon; Jean Pierre Tuchagues
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4663 - 4670
• a: 10.971 Å
• b: 10.971 Å
• c: 35.517 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3702.2 ų
• Cell temperature: 260 K
• Ambient diffraction temperature: 260 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0447
• Goodness-of-fit parameter for significantly intense reflections: 1.1478
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No