Information card for entry 4329134

Structure parameters

• Common name: Cr-F-Gd square
• Formula: C52 H48 Cr2 F4 Gd2 N16 O29
• Calculated formula: C52 H48 Cr2 F4 Gd2 N16 O29
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Cr]124([F][Gd]3456(ON(=[O]3)=O)(ON(=[O]4)=O)([F][Cr]34([F][Gd]789%10([F]1)(ON(=[O]7)=O)(ON(=[O]8)=O)(ON(=[O]9)=O)ON(=[O]%10)=O)([n]1cccc7ccc8ccc[n]3c8c17)[n]1cccc3ccc7ccc[n]4c7c13)(ON(=[O]5)=O)ON(=[O]6)=O)[n]1cccc3ccc4ccc[n]2c4c13.CO.O.CO.CO.CO
• Title of publication: Fluoride Bridges as Structure-Directing Motifs in 3d-4f Cluster Chemistry
• Authors of publication: Torben Birk; Kasper S. Pedersen; Christian Aa. Thuesen; Thomas Weyhermüller; Magnus Schau-Magnussen; Stergios Piligkos; Högni Weihe; Susanne Mossin; Marco Evangelisti; Jesper Bendix
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5435 - 5443
• a: 17.5173 ± 0.0015 Å
• b: 17.5173 ± 0.0014 Å
• c: 20.896 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6412.1 ± 1.2 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 7
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.382
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No