Information card for entry 7060944

Structure parameters

• Formula: C40 H33 Gd2 N9 Ni O23
• Calculated formula: C36 H24 Gd2 N8 Ni O22
• Title of publication: Synthesis and CO2 photoreduction of two 3d–4f heterometal–organic frameworks
• Authors of publication: Yang, Yu; Fu, Yaomei; You, Siqi; Li, Mingyue; Qin, Chao; Zhao, Liang; Su, Zhongmin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 18790 - 18795
• a: 17.5924 ± 0.0013 Å
• b: 16.7807 ± 0.0012 Å
• c: 20.6012 ± 0.0015 Å
• α: 90°
• β: 110.266 ± 0.002°
• γ: 90°
• Cell volume: 5705.2 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.02 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No