Information card for entry 1563854

Structure parameters

• Formula: C48 H58 Br Cu2 Gd N10 O14
• Calculated formula: C48 H58 Br Cu2 Gd N10 O14
• Title of publication: Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties
• Authors of publication: Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 299 - 304
• a: 18.95 ± 0.03 Å
• b: 15.55 ± 0.02 Å
• c: 19.36 ± 0.03 Å
• α: 90°
• β: 101.39 ± 0.03°
• γ: 90°
• Cell volume: 5593 ± 14 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes