Information card for entry 7029680

Structure parameters

• Formula: C24 H18 Fe0.61 N12 Se2 Zn0.39
• Calculated formula: C24 H18 Fe0.608 N12 Se2 Zn0.392
• Title of publication: The role of iron(ii) dilution in the magnetic and photomagnetic properties of the series [FexZn1-x(bpp)2](NCSe)2.
• Authors of publication: Baldé, Chérif; Desplanches, Cédric; Le Gac, Fréderic; Guionneau, Philippe; Létard, Jean-François
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 7820 - 7829
• a: 8.2142 ± 0.0016 Å
• b: 8.353 ± 0.002 Å
• c: 19.855 ± 0.004 Å
• α: 87.724 ± 0.009°
• β: 83.926 ± 0.013°
• γ: 88.701 ± 0.013°
• Cell volume: 1353.4 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0913
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No