Information card for entry 1512625

Structure parameters

• Formula: C35 H50 Cu4 N20 Na4 O20
• Calculated formula: C35 H49.5 Cu4 N20 Na4 O19.5
• SMILES: [Na+].OC.OC.N(=N#N)[Cu]12[n]3c(C(=O)O1)c(C)c(C(=O)C)n3[Cu]1(N=N#N)OC(=O)c3c(C)c(C(=O)C)n([Cu]([n]4c(C5=[O])c(C)c(C(=O)C)n4[Cu]4([n]6n2c(C(=O)C)c(C)c6C(=O)O4)N=N#N)(N=N#N)O5)[n]13.OC.[Na+].OC.OC.[Na+].CO.[Na+].CO
• Title of publication: Novel pyrazolate-based copper(II) [2x2] grid complexes: Synthesis, structure and properties
• Authors of publication: Malinkin, Sergej; Penkova, Larysa; Moroz, Yurii; Maciag, Anna; Haukka, Matti; Szebesczyk, Agnieszka; Kozlowski, Henryk; Gumienna-Kontecka, Elzbieta; Pavlenko, Vadim; Meyer, Franc; Nordlander, Ebbe; Fritsky, Igor
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 322 - 330
• a: 22.063 ± 0.008 Å
• b: 11.815 ± 0.004 Å
• c: 22.336 ± 0.008 Å
• α: 90°
• β: 111.27 ± 0.04°
• γ: 90°
• Cell volume: 5426 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0619
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No