Information card for entry 7705375

Structure parameters

• Formula: C46 H34 Cl2 Cu2 N8 O12
• Calculated formula: C46 H32 Cl2 Cu2 N8 O12
• 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: 7.4682 ± 0.0015 Å
• b: 12.244 ± 0.002 Å
• c: 23.789 ± 0.005 Å
• α: 90°
• β: 92.242 ± 0.006°
• γ: 90°
• Cell volume: 2173.6 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1518
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No