Information card for entry 1571999

Structure parameters

• Chemical name: NPU-1-TPT
• Formula: C66 H45 Mn6 N12 O20
• Calculated formula: C66 H45 Mn6 N12 O20
• Title of publication: Ordered assembly of two different metal clusters with the same topological connectivity in one single coordination network.
• Authors of publication: Cao, Jian-Wei; Zhang, Tao; Chen, Juan; Wang, Jin-Bo; Wang, Yu; Chen, Kai-Jie
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 30
• Pages of publication: 11928 - 11936
• a: 17.1992 ± 0.0013 Å
• b: 29.767 ± 0.003 Å
• c: 21.8387 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11180.7 ± 1.7 ų
• Cell temperature: 150.15 ± 0.1 K
• Ambient diffraction temperature: 150.15 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2077
• Weighted residual factors for all reflections included in the refinement: 0.2085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No