Information card for entry 7239674

Structure parameters

• Formula: C17 H21 Cl2 Fe N9 O4
• Calculated formula: C17 H21 Cl2 Fe N9 O4
• Title of publication: Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution
• Authors of publication: Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 3
• Pages of publication: 458 - 466
• a: 9.396 ± 0.004 Å
• b: 14.669 ± 0.006 Å
• c: 16.074 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2215.5 ± 1.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No