Information card for entry 7049858

Structure parameters

• Formula: C80 H68 B2 Fe2 N30 O14 P2 Sm2
• Calculated formula: C80 H68 B2 Fe2 N30 O14 P2 Sm2
• Title of publication: In situ generation of Ph₃PO in cyanido-bridged heterometallic {Fe^IIILn^III}₂ molecular squares (Ln = Eu, Sm).
• Authors of publication: Alexandru, Maria-Gabriela; Visinescu, Diana; Braun-Cula, Beatrice; Shova, Sergiu; Lloret, Francesc; Julve, Miguel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 22
• Pages of publication: 7532 - 7536
• a: 9.3796 ± 0.0006 Å
• b: 14.6171 ± 0.0009 Å
• c: 17.0712 ± 0.0012 Å
• α: 85.834 ± 0.002°
• β: 83.227 ± 0.003°
• γ: 71.398 ± 0.002°
• Cell volume: 2201.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No