Information card for entry 1570518

Structure parameters

• Formula: C44 H40 Fe N12 Ni
• Calculated formula: C44 H40 Fe N12 Ni
• Title of publication: The Synthesis and Crystal Structures of New One- and Two-Dimensional Fe(II) Coordination Polymers Using Imidazole Derivatives
• Authors of publication: Kosuge, Ryota; Kawasaki, Takeshi; Kitase, Kosuke; Kosone, Takashi
• Journal of publication: Crystals
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 1658
• a: 9.4355 ± 0.0012 Å
• b: 9.9756 ± 0.0012 Å
• c: 12.5092 ± 0.0016 Å
• α: 98.322 ± 0.002°
• β: 93.508 ± 0.002°
• γ: 115.15 ± 0.002°
• Cell volume: 1044.6 ± 0.2 ų
• Cell temperature: 275 ± 2 K
• Ambient diffraction temperature: 275 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No