Information card for entry 7239675

Structure parameters

• Formula: C34 H44 Cl4 Fe2 N18 O17
• Calculated formula: C34 H42 Cl4 Fe2 N18 O17
• 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: 10.2032 ± 0.0003 Å
• b: 12.8833 ± 0.0005 Å
• c: 19.1031 ± 0.0006 Å
• α: 80.2128 ± 0.0017°
• β: 79.7746 ± 0.0012°
• γ: 80.6301 ± 0.0016°
• Cell volume: 2412.39 ± 0.14 ų
• Cell temperature: 192 ± 2 K
• Ambient diffraction temperature: 192 ± 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: 0.0623
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No