Information card for entry 7122610

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: 13.0769 ± 0.0004 Å
• b: 15.2036 ± 0.0004 Å
• c: 16.9342 ± 0.0005 Å
• α: 99.7454 ± 0.001°
• β: 109.665 ± 0.001°
• γ: 107.534 ± 0.0009°
• Cell volume: 2882.52 ± 0.15 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.1335
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2031
• Weighted residual factors for all reflections included in the refinement: 0.2349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No