Information card for entry 7047441

Structure parameters

• Formula: C20 H25 Fe Gd N14 O11.5
• Calculated formula: C20 H25 Fe Gd N14 O11.5
• 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: 15.142 ± 0.003 Å
• b: 10.635 ± 0.002 Å
• c: 19.47 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3135.4 ± 1.1 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No