Information card for entry 7047060

Structure parameters

• Formula: C32 H46 Gd2 N4 O16
• Calculated formula: C32 H46 Gd2 N4 O16
• Title of publication: Experimental and theoretical exploration of magnetic exchange interactions and single-molecule magnetic behaviour of bis(η¹:η²:μ₂-carboxylate)Gd/Dy systems.
• Authors of publication: Ghosh, Sagar; Mandal, Shuvankar; Singh, Mukesh Kumar; Liu, Cai-Ming; Rajaraman, Gopalan; Mohanta, Sasankasekhar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 33
• Pages of publication: 11455 - 11469
• a: 11.4479 ± 0.0007 Å
• b: 13.9987 ± 0.0009 Å
• c: 13.069 ± 0.0008 Å
• α: 90°
• β: 108.991 ± 0.002°
• γ: 90°
• Cell volume: 1980.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No