Information card for entry 4301529

Structure parameters

• Formula: C32 H26 Fe2
• Calculated formula: C32 H26 Fe2
• SMILES: [c]12([cH]3[cH]4[cH]5[Fe]6789134([cH]1[cH]6[cH]7[cH]8[cH]91)[cH]25)c1ccc(cc1)c1ccc([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)cc1
• Title of publication: Tuning Through-Bond Fe(III)/Fe(II) Coupling by Solvent Manipulation of a Central Ruthenium Redox Couple
• Authors of publication: Yu-Chen Lin; Wei-Tin Chen; Joe Tai; Denny Su; Sheng-Yi Huang; Ingrid Lin; Ju-Ling Lin; Mandy M. Lee; Mong Feng Chiou; Yen-Hsiang Liu; Ken-Shin Kwan; Yuan-Jang Chen; Hsing-Yin Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1857 - 1870
• a: 11.929 ± 0.002 Å
• b: 7.642 ± 0.002 Å
• c: 12.913 ± 0.003 Å
• α: 90°
• β: 93.628 ± 0.009°
• γ: 90°
• Cell volume: 1174.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No