Information card for entry 4504429

Structure parameters

• Formula: C16 H12 Cl4 Fe N8 O4 Rh2
• Calculated formula: C16 H12 Cl4 Fe N8 O4 Rh2
• SMILES: [Rh]1([n]2cc[nH]c2c2[n]1cc[nH]2)(C#[O])C#[O].[Rh]1([n]2cc[nH]c2c2[n]1cc[nH]2)(C#[O])C#[O].[Fe](Cl)(Cl)(Cl)[Cl-]
• Title of publication: Solid-State Packing of the Square-Planar [RhI(H2bim)(CO)2]2[A] Complexes (H2bim = 2,2-biimidazole; [A] = 2[Cl], 2[RhICl2(CO)2], [FeIICl4], [CoIICl4])
• Authors of publication: Jakonen, Minna; Oresmaa, Larisa; Haukka, Matti
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 2620
• a: 13.6176 ± 0.0009 Å
• b: 10.8665 ± 0.0003 Å
• c: 17.652 ± 0.0009 Å
• α: 90°
• β: 108.36 ± 0.002°
• γ: 90°
• Cell volume: 2479.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No