Information card for entry 7122618

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: 10.4487 ± 0.0014 Å
• b: 12.5208 ± 0.0016 Å
• c: 12.6339 ± 0.0016 Å
• α: 84.869 ± 0.005°
• β: 68.184 ± 0.005°
• γ: 82.196 ± 0.005°
• Cell volume: 1518.9 ± 0.3 ų
• Cell temperature: 420 ± 2 K
• Ambient diffraction temperature: 420 ± 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: 0.0982
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No