Information card for entry 7005066

Structure parameters

• Common name: Catena-(trans-biscyano-tetra-agua-(2,4,6-tri(2-pyridyl)-1,3,5- triazine)-tetracyano-iron(iii)-Neodymium(iii) octahydrate
• Formula: C24 H36 Fe N12 Nd O12
• Calculated formula: C24 H12 Fe N12 Nd O12
• 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: 15.927 ± 0.003 Å
• b: 14.139 ± 0.003 Å
• c: 31.462 ± 0.006 Å
• α: 90°
• β: 103.18 ± 0.03°
• γ: 90°
• Cell volume: 6898 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0904
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No