Information card for entry 7046304

Structure parameters

• Formula: C8 H12 Cl4 Fe N6
• Calculated formula: C8 H12 Cl4 Fe N6
• Title of publication: An octahedral tetrachlorido Fe(ii) complex with aminopyrazinium ligands from a serendipitous redox synthesis exhibiting magnetic exchange through non-covalent 3-D architectures.
• Authors of publication: Rusbridge, Elizabeth K.; Peng, Yan; Powell, Annie K.; Robinson, David; Fitzpatrick, Anthony J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 23
• Pages of publication: 7644 - 7648
• a: 7.1768 ± 0.0005 Å
• b: 7.3352 ± 0.0005 Å
• c: 7.8852 ± 0.0006 Å
• α: 115.541 ± 0.007°
• β: 110.288 ± 0.007°
• γ: 96.89 ± 0.006°
• Cell volume: 333.02 ± 0.06 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No