Information card for entry 4307961

Structure parameters

• Formula: C56 H112 Cu6 F19 N16 O18 P3
• Calculated formula: C56 H100 Cu6 F19 N16 O18 P3
• SMILES: [Cu]123(OC4C(O[Cu]56([O]=4)[N](C)(CC[N]5(C)CC[N]6(C)C)C)=[N]2c2cccc([N]4[Cu]5(OC6C=4O[Cu]47([O]=6)[N](CC[N]4(C)CC[N]7(C)C)(C)C)([O]=C4C(O[Cu]67(O4)[N](C)(CC[N]6(C)CC[N]7(C)C)C)=[N]5c4cccc([N]3=C3C(O1)=[O][Cu]15(O3)[N](CC[N]1(C)C)(C)CC[N]5(C)C)c4)[OH2])c2)F.O.O.O.O.O.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Molecular-Programmed Self-Assembly of Homo- and Heterometallic Penta- and Hexanuclear Coordination Compounds: Synthesis, Crystal Structures, and Magnetic Properties of Ladder-Type CuII2MIIx (M = Cu, Ni;x= 3, 4) Oxamato Complexes with CuII2 Metallacyclophane Cores
• Authors of publication: Emilio Pardo; Rafael Ruiz-García; Francesc Lloret; Miguel Julve; Joan Cano; Jorge Pasán; Catalina Ruiz-Pérez; Yasmine Filali; Lise-Marie Chamoreau; Yves Journaux
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4504 - 4514
• a: 14.821 ± 0.003 Å
• b: 17.246 ± 0.007 Å
• c: 19.253 ± 0.009 Å
• α: 88.69 ± 0.04°
• β: 78.06 ± 0.03°
• γ: 77.72 ± 0.02°
• Cell volume: 4703 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1991
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.3229
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No