Information card for entry 7705373

Structure parameters

• Formula: C78 H56 Cu2 N10 O14
• Calculated formula: C78 H56 Cu2 N10 O14
• Title of publication: Paradoxical design of a serendipitous pyrazolate bridging mode: a pragmatic strategy for inducing ineluctable ferromagnetic coupling.
• Authors of publication: Roy, Manasi; Pal, Arun K.; Adhikary, Amit; Datta, Ayan; Mondal, Raju
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 39
• Pages of publication: 13704 - 13716
• a: 7.728 ± 0.003 Å
• b: 15.278 ± 0.005 Å
• c: 15.982 ± 0.006 Å
• α: 67.547 ± 0.005°
• β: 88.845 ± 0.005°
• γ: 85.603 ± 0.005°
• Cell volume: 1738.7 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1787
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1863
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No