Information card for entry 7231032

Structure parameters

• Chemical name: Hf-CAU-39
• Mineral name: Hf-CAU-39
• Formula: C72 Hf12 N24 O104.38
• Calculated formula: C72 Hf12 N24 O104.38
• Title of publication: Direct water-based synthesis and characterization of new Zr/Hf-MOFs with dodecanuclear clusters as IBUs
• Authors of publication: Waitschat, Steve; Reinsch, Helge; Arpacioglu, Merve; Stock, Norbert
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 35
• Pages of publication: 5108
• a: 20.84368 ± 0.00081 Å
• b: 20.84368 ± 0.00081 Å
• c: 24.3675 ± 0.0025 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9168.3 ± 1.1 ų
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Diffraction radiation wavelength: 1.5406 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No