Information card for entry 4332985

Structure parameters

• Formula: C22 H42 Cr Fe N10 O3
• Calculated formula: C22 H40 Cr Fe N10 O3
• SMILES: [Fe](C#[N][Cr]123(O)[NH]4CC[NH]1C(C[C@@H]([NH]2CC[NH]3C(C[C@@H]4C)(C)C)C)(C)C)(C#N)(C#N)(C#N)(C#N)C#N.O.O.[Fe](C#[N][Cr]123(O)[NH]4CC[NH]1C(C[C@H]([NH]2CC[NH]3C(C[C@H]4C)(C)C)C)(C)C)(C#N)(C#N)(C#N)(C#N)C#N.O.O
• Title of publication: Structural and Magnetic Diversity in Cyano-Bridged Bi- and Trimetallic Complexes Assembled from Cyanometalates and [M(rac-CTH)]n+Building Blocks (CTH =d,l-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)
• Authors of publication: Rodríguez-Diéguez, Antonio; Kivekäs, Raikko; Sillanpää, Reijo; Cano, Joan; Lloret, Francesc; McKee, Vickie; Stoeckli-Evans, Helen; Colacio, Enrique
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10537 - 10551
• a: 8.8834 ± 0.001 Å
• b: 19.1585 ± 0.0013 Å
• c: 17.3895 ± 0.0019 Å
• α: 90°
• β: 101.047 ± 0.004°
• γ: 90°
• Cell volume: 2904.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.2393
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No