Information card for entry 7053040

Structure parameters

• Formula: C124 H114 F48 I4 Mn4 N16 O29
• Calculated formula: C124 H114 F48 I4 Mn4 N16 O29
• Title of publication: Two co-crystalline M(hfac)2(IPhIN)2·M(hfac)2 (M = Mn, Co) compounds with a bis(iminoylnitroxide) biradical: structure and magnetism
• Authors of publication: Vaz, Maria G. F.; Akpinar, Handan; Guedes, Guilherme P.; Santos, Sauli; Novak, Miguel A.; Lahti, Paul M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 7
• Pages of publication: 1927
• a: 49.475 ± 0.0008 Å
• b: 16.483 ± 0.0003 Å
• c: 22.224 ± 0.0004 Å
• α: 90 ± 0.001°
• β: 115.247 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 16392.4 ± 0.5 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: 0.0878
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No