Information card for entry 1512624

Structure parameters

• Chemical name: Tetra(3-acetyl-4-methyl-5-carboxylate-pyrazolato)-μ-pyrazolato)- tetra(pyridine)tetra(copper(II))
• Formula: C48 H52 Cu4 N12 O16
• Calculated formula: C48 H52 Cu4 N12 O16
• 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: 19.3907 ± 0.0009 Å
• b: 13.5643 ± 0.0004 Å
• c: 21.5049 ± 0.0009 Å
• α: 90°
• β: 114.12 ± 0.005°
• γ: 90°
• Cell volume: 5162.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No