Information card for entry 7224371

Structure parameters

• Formula: C46 H48 Cu4 Gd I4 N3 O13
• Calculated formula: C36 H28 Cu4 Gd I4 N3 O8
• Title of publication: Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters
• Authors of publication: Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 4336
• a: 9.6323 ± 0.0019 Å
• b: 16.676 ± 0.003 Å
• c: 21.182 ± 0.004 Å
• α: 104.08 ± 0.03°
• β: 100.39 ± 0.03°
• γ: 97.03 ± 0.03°
• Cell volume: 3196.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No