Information card for entry 4310773

Structure parameters

• Formula: C30 H27 Fe2 Mn N12 O9.5
• Calculated formula: C30 H16 Fe2 Mn N12 O9.5
• Title of publication: mer-[FeIII(bpca)(CN)3]-: A New Low-Spin Iron(III) Complex to Build Heterometallic Ladder-like Chains
• Authors of publication: Rodrigue Lescouëzec; Jacqueline Vaissermann; Luminita Marilena Toma; Rosa Carrasco; Francesc Lloret; Miguel Julve
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2234 - 2236
• a: 10.417 ± 0.003 Å
• b: 12.614 ± 0.003 Å
• c: 14.898 ± 0.005 Å
• α: 110.33 ± 0.02°
• β: 96.46 ± 0.03°
• γ: 94.54 ± 0.02°
• Cell volume: 1809.3 ± 1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No