Information card for entry 7017642

Structure parameters

• Formula: C44 H35 Br2 Fe Mn N11 O4
• Calculated formula: C44 H33 Br2 Fe Mn N11 O4
• Title of publication: Syntheses, structures, and magnetic characterizations of cyanide-bridged Fe(III)Mn(III) chains constructed by mer-Fe(iii)tricyanide and Mn(iii) Schiff bases: Magnetostructural relationship.
• Authors of publication: Yoo, In Young; Won Ryu, Dae; Hee Yoon, Jung; Ram Sohn, Ah; Soo Lim, Kwang; Ki Cho, Beong; Kwan Koh, Eui; Seop Hong, Chang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 6
• Pages of publication: 1776 - 1785
• a: 17.9158 ± 0.0008 Å
• b: 12.0674 ± 0.0005 Å
• c: 20.8933 ± 0.0008 Å
• α: 90°
• β: 96.54 ± 0.001°
• γ: 90°
• Cell volume: 4487.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No