Information card for entry 4303165

Structure parameters

• Formula: C30 H36 Cl4 Fe2 N18 O16
• Calculated formula: C30 H36 Cl4 Fe2 N18 O16
• SMILES: c1c2C=[N]3[Fe]456([n]2c(C)[nH]1)[n]1c(C)[nH]cc1C=[N]5[N]1=Cc2c[nH]c(C)[n]2[Fe]251([n]1c(C)[nH]cc1C=[N]2[N]6=Cc1c[nH]c(C)[n]41)[n]1c(C)[nH]cc1C=[N]35.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Structures and Spin States of Bis(tridentate)-Type Mononuclear and Triple Helicate Dinuclear Iron(II) Complexes of Imidazole-4-carbaldehyde azine
• Authors of publication: Yukinari Sunatsuki; Ryohei Kawamoto; Kunihiro Fujita; Hisashi Maruyama; Takayoshi Suzuki; Hiroyuki Ishida; Masaaki Kojima; Seiichiro Iijima; Naohide Matsumoto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8784 - 8795
• a: 10.031 ± 0.002 Å
• b: 10.031 ± 0.002 Å
• c: 24.859 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2166.2 ± 0.8 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No