Information card for entry 7122621

Structure parameters

• Formula: C29 H23 Br2 Mn N O2 P2
• Calculated formula: C29 H23 Br2 Mn N O2 P2
• Title of publication: Achievement of ligand-field induced thermochromic luminescence via two-step single-crystal to single-crystal transformations.
• Authors of publication: Wu, Yue; Zhang, Xu; Zhang, Yun-Qin; Yang, Ming; Chen, Zhong-Ning
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 99
• Pages of publication: 13961 - 13964
• a: 12.352 ± 0.01 Å
• b: 15.347 ± 0.011 Å
• c: 17.295 ± 0.012 Å
• α: 99.95 ± 0.02°
• β: 104.61 ± 0.02°
• γ: 100.46 ± 0.02°
• Cell volume: 3036 ± 4 ų
• Cell temperature: 360 ± 2 K
• Ambient diffraction temperature: 360 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No