Information card for entry 7228543

Structure parameters

• Formula: C68 H79.5 Cd3 K6 N16 O39.75
• Calculated formula: C54 H24 Cd3 K6 N12 O33.75
• Title of publication: Synthesis, structure and luminescent properties of two Cd(II)/M(I) (M = K, Rb) interpenetrated heterometallic frameworks based on giant double-walled cages
• Authors of publication: Xu, Xiao-Wu; Tian, Chong-Bin; Du, Shaowu
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 27.973 ± 0.001 Å
• b: 27.973 ± 0.001 Å
• c: 27.973 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21888.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 211
• Hermann-Mauguin space group symbol: I 4 3 2
• Hall space group symbol: I 4 2 3
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1094
• 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