Information card for entry 7009669

Structure parameters

• Formula: C12 H8 Fe N6
• Calculated formula: C12 H8 Fe N6
• Title of publication: Polybis(4-azabenzimidazolato)-iron(II) and -cobalt(II). 3-D single diamond-like framework materials which exhibit spin canting and ferromagnetic ordering at low temperatures †
• Authors of publication: Rettig, Steven J.; Sánchez, Victor; Storr, Alan; Thompson, Robert C.; Trotter, James
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 3931
• a: 9.655 ± 0.002 Å
• b: 10.3403 ± 0.0006 Å
• c: 12.4671 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1244.7 ± 0.3 ų
• Cell temperature: 180.2 K
• Ambient diffraction temperature: 180.2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections: 1.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No