Information card for entry 7047443

Structure parameters

• Formula: C18 H17 Fe1.5 N12 O4
• Calculated formula: C18 H17 Fe1.5 N12 O4
• Title of publication: Two-electron redox-active tricyano iron(ii) complex with 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine as a building block for coordination polymers.
• Authors of publication: Shiga, Takuya; Miyamoto, Haruka; Newton, Graham N.; Oshio, Hiroki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 38
• Pages of publication: 13402 - 13407
• a: 7.036 ± 0.003 Å
• b: 12.005 ± 0.004 Å
• c: 13.309 ± 0.005 Å
• α: 76.13 ± 0.004°
• β: 83.693 ± 0.004°
• γ: 75.671 ± 0.005°
• Cell volume: 1055.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0517
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No