Information card for entry 7127726

Structure parameters

• Formula: C104 H136 N4 O22 Ti4
• Calculated formula: C104 H136 N4 O22 Ti4
• Title of publication: Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.
• Authors of publication: Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 90
• Pages of publication: 14035 - 14038
• a: 14.2318 ± 0.0011 Å
• b: 14.6532 ± 0.0012 Å
• c: 18.081 ± 0.0015 Å
• α: 103.02 ± 0.006°
• β: 102.821 ± 0.006°
• γ: 107.509 ± 0.005°
• Cell volume: 3328.9 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1552
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No