Information card for entry 7128540

Structure parameters

• Formula: C14 H31 Br2 Cr N O9
• Calculated formula: C14 H31 Br2 Cr N O9
• Title of publication: Solid solutions of flexible host-guest supramolecules for tuning molecular motion and phase transitions.
• Authors of publication: Zhou, Xun-Hui; Zeng, Ying; Tang, Shao-Bin; Yu, Zi-Ru; Cao, Li-Ming; Du, Zi-Yi; He, Chun-Ting
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 59
• Pages of publication: 7292 - 7295
• a: 8.6959 ± 0.0003 Å
• b: 11.6717 ± 0.0005 Å
• c: 12.2829 ± 0.0005 Å
• α: 109.137 ± 0.004°
• β: 98.956 ± 0.003°
• γ: 98.155 ± 0.003°
• Cell volume: 1138.29 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No