Information card for entry 7008420

Structure parameters

• Formula: C20 H40.24 Cl6 Fe3 N6 O9.12
• Calculated formula: C20 H31.605 Cl6 Fe3 N6 O9.127
• Title of publication: Structural and magnetic properties of iron(II) complexes with 1,4,5,8,9,12-hexaazatriphenylene (HAT).
• Authors of publication: Shatruk, Mikhail; Chouai, Abdellatif; Prosvirin, Andrey V.; Dunbar, Kim R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 11
• Pages of publication: 1897 - 1902
• a: 7.9876 ± 0.0009 Å
• b: 16.123 ± 0.002 Å
• c: 17.516 ± 0.002 Å
• α: 72.224 ± 0.003°
• β: 80.061 ± 0.003°
• γ: 80.739 ± 0.003°
• Cell volume: 2101.7 ± 0.4 ų
• Cell temperature: 383 ± 2 K
• Ambient diffraction temperature: 383 ± 2 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: 0.0978
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1945
• Weighted residual factors for all reflections included in the refinement: 0.2183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No