Information card for entry 7005074

Structure parameters

• Common name: Catena-(trans-biscyano-di-agua-bis-(3,4,7,8-tetramethyl-1,10- phenanthroline)-tetracyano-iron(iii)-samarium(iii) hydrate
• Formula: C39 H66 Fe N10 O16 Sm
• Calculated formula: C39 H40 Fe N10 O16 Sm
• Title of publication: Lanthanide-3d cyanometalate chains Ln(III)-M(III) (Ln=Pr, Nd, Sm, Eu, Gd, Tb; M=Fe) with the tridentate ligand 2,4,6-tri(2-pyridyl)-1,3,5-triazine (tptz): evidence of ferromagnetic interactions for the Sm(III)-M(III) compounds (M=Fe, Cr).
• Authors of publication: Zhao, Hanhua; Lopez, Nazario; Prosvirin, Andrey; Chifotides, Helen T.; Dunbar, Kim R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 8
• Pages of publication: 878 - 888
• a: 20.322 ± 0.004 Å
• b: 19.728 ± 0.004 Å
• c: 13.473 ± 0.003 Å
• α: 90°
• β: 106.48 ± 0.03°
• γ: 90°
• Cell volume: 5180 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No