Information card for entry 4306327

Structure parameters

• Formula: C72 H88 B2 Fe2 N26 O8 Ru2
• Calculated formula: C72 H88 B2 Fe2 N26 O8 Ru2
• SMILES: [B]12(c3ccccc3)n3ccc[n]3[Fe](C#N)(C#N)(C#[N][Ru]3456[N](C)=C(c7ccccc7)N(C)[Ru]6([N](=C(c6ccccc6)N3C)C)(N(C(c3ccccc3)=[N]4C)C)([N](=C(c3ccccc3)N5C)C)[N]#C[Fe]34(C#N)(C#N)[n]5cccn5[B](c5ccccc5)(n5ccc[n]35)n3ccc[n]43)([n]3cccn13)[n]1cccn21.O.O.O.O.O.O.O.O
• Title of publication: Novel Heterometallic Fe-Ru2-Fe Arrays via "Complex of Complexes" Approach
• Authors of publication: Cai-Feng Wang; Jing Lin Zuo; Jie-Wen Ying; Tong Ren; Xiao-Zeng You
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9716 - 9722
• a: 12.8423 ± 0.0018 Å
• b: 14.03 ± 0.002 Å
• c: 24.2431 ± 0.0013 Å
• α: 90.287 ± 0.002°
• β: 95.527 ± 0.003°
• γ: 92.511 ± 0.001°
• Cell volume: 4343.4 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No