Information card for entry 2312386

Structure parameters

• Chemical name: <i>cis</i>-Bis[bis(pyrimidin-2-yl)amine-κ<i>N</i>]bis(dicyanamido-κ<i>N</i>^1^)iron(II) dihydrate
• Formula: C20 H18 Fe N16 O2
• Calculated formula: C20 H18 Fe N16 O2
• Title of publication: Racemic <i>cis</i>-bis-[bis-(pyrimidin-2-yl)amine-κ<i>N</i>]bis(dicyanamido-κ<i>N</i>¹)iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis.
• Authors of publication: Saadallah, Yaakoub; Setifi, Zouaoui; Jelsch, Christian; Setifi, Fatima; Al-Douh, Mohammed Hadi; Satour, Achouak; Glidewell, Christopher
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 10
• Pages of publication: 936 - 941
• a: 8.196 ± 0.0007 Å
• b: 10.4671 ± 0.0011 Å
• c: 14.7926 ± 0.0014 Å
• α: 105.254 ± 0.004°
• β: 92.903 ± 0.003°
• γ: 90.356 ± 0.004°
• Cell volume: 1222.5 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.069
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes