Information card for entry 7005073

Structure parameters

• Common name: Catena-(trans-biscyano-tri-N,N-dimethyl-formamide-agua- (3,4,7,8-tetramethyl-1,10-phenanthroline)-tetracyano-iron(iii)- samarium(iii) dihydrate
• Formula: C31 H43 Fe N11 O6 Sm
• Calculated formula: C31 H37 Fe N11 O6 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: 9.724 ± 0.0019 Å
• b: 13.477 ± 0.003 Å
• c: 16.552 ± 0.003 Å
• α: 74.62 ± 0.03°
• β: 88.44 ± 0.03°
• γ: 81.45 ± 0.03°
• Cell volume: 2068.1 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0826
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No