Information card for entry 7715899

Structure parameters

• Formula: C40 H31.33 Fe N16 O3.17 Pd
• Calculated formula: C40 H31.3332 Fe N16 O3.1666 Pd
• Title of publication: New cyanido-bridged iron(II) spin crossover coordination polymers with an unusual ladder-like topology: an alternative to Hofmann clathrates.
• Authors of publication: Visinescu, Diana; Shylin, Sergii I.; Shova, Sergiu; Novitchi, Ghenadie; Popescu, Delia-Laura; Alexandru, Maria-Gabriela
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 9062 - 9071
• a: 9.84 ± 0.0008 Å
• b: 11.7209 ± 0.0009 Å
• c: 18.2393 ± 0.0015 Å
• α: 101.995 ± 0.007°
• β: 93.012 ± 0.007°
• γ: 102.09 ± 0.006°
• Cell volume: 2001.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0995
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No