Information card for entry 7047440

Structure parameters

• Formula: C18 H23 Fe K N12 O7
• Calculated formula: C18 H23 Fe K N12 O7
• 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: 8.3483 ± 0.0011 Å
• b: 12.6991 ± 0.0016 Å
• c: 12.8859 ± 0.0016 Å
• α: 110.674 ± 0.002°
• β: 91.693 ± 0.002°
• γ: 97.884 ± 0.002°
• Cell volume: 1261.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No