Information card for entry 7122611

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: 10.4577 ± 0.0017 Å
• b: 12.4576 ± 0.0019 Å
• c: 12.4979 ± 0.0018 Å
• α: 85.451 ± 0.005°
• β: 68.607 ± 0.005°
• γ: 82.521 ± 0.006°
• Cell volume: 1502.2 ± 0.4 ų
• Cell temperature: 400 ± 2 K
• Ambient diffraction temperature: 400 ± 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: 0.0936
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No