Information card for entry 7047793

Structure parameters

• Formula: C52 H86 Cu2 N8 O6
• Calculated formula: C52 H86 Cu2 N8 O6
• Title of publication: Promotion of antiferromagnetic exchange interaction in multinuclear copper(ii) complexes via fused oxamato/oxamidato ligands.
• Authors of publication: Weheabby, Saddam; Abdulmalic, Mohammad A.; Atzori, Matteo; Sessoli, Roberta; Aliabadi, Azar; Rüffer, Tobias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 45
• Pages of publication: 16164 - 16181
• a: 15.1842 ± 0.0004 Å
• b: 17.1284 ± 0.0004 Å
• c: 22.2597 ± 0.0006 Å
• α: 90°
• β: 109.748 ± 0.003°
• γ: 90°
• Cell volume: 5448.8 ± 0.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No