Information card for entry 4350714

Structure parameters

• Formula: C84 H118 Fe2 Gd2 K2 N4 Si4
• Calculated formula: C84 H118 Fe2 Gd2 K2 N4 Si4
• Title of publication: Tetraanionic biphenyl lanthanide complexes as single-molecule magnets.
• Authors of publication: Huang, Wenliang; Le Roy, Jennifer J.; Khan, Saeed I.; Ungur, Liviu; Murugesu, Muralee; Diaconescu, Paula L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 2374 - 2382
• a: 14.349 ± 0.004 Å
• b: 21.88 ± 0.006 Å
• c: 26.449 ± 0.008 Å
• α: 90°
• β: 95.136 ± 0.003°
• γ: 90°
• Cell volume: 8270 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No