Information card for entry 7047787

Structure parameters

• Formula: C54 H96 Cu2 N6 O12
• Calculated formula: C54 H96 Cu2 N6 O12
• 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: 10.9146 ± 0.0004 Å
• b: 17.6184 ± 0.0005 Å
• c: 15.8629 ± 0.0006 Å
• α: 90°
• β: 105.614 ± 0.004°
• γ: 90°
• Cell volume: 2937.83 ± 0.18 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: 0.0586
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No