Information card for entry 7248647

Structure parameters

• Formula: C64 H94 Hf6 O40
• Calculated formula: C64 H94 Hf6 O40
• SMILES: [Hf]123456([O]7[Hf]89%10%11%12([O]%13[Hf]%14%15%16([O]1[Hf]1%17%18%19%20([O]%21[Hf]7([O]3%17)([O]9[Hf]%13%21([O]%141)([O]=C(O%19)C(=C)C)(OC(C(C)=C)=[O]%12)([O]=C(C(=C)C)O%15)[OH2])([O]=C(C(=C)C)O5)(OC(C(=C)C)=[O]%18)([O]=C(O%11)C(=C)C)OC(=O)C(=C)C)OC(=[O]%20)C(=C)C)([O]28)([O]=C(O%16)C(=C)C)OC(C(=C)C)=[O]%10)[O]=C(O4)C(=C)C)[O]=C(O6)C(=C)C.O=C(O)C(=C)C.O=C(O)C(=C)C.OCCCC.O=C(O)C(C)=C
• Title of publication: Rapid and high-throughput synthesis of diverse MOFs with centrifuge tube grinding strategy
• Authors of publication: Wang, Hao-Cheng; Liu, Xiao; Ma, Jian-Gong; Cheng, Peng
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 12
• Pages of publication: 7312 - 7319
• a: 17.0824 ± 0.0002 Å
• b: 17.9419 ± 0.0002 Å
• c: 30.7631 ± 0.0004 Å
• α: 90°
• β: 96.314 ± 0.001°
• γ: 90°
• Cell volume: 9371.4 ± 0.2 ų
• Cell temperature: 148 ± 0.3 K
• Ambient diffraction temperature: 148 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No