Information card for entry 7122612

Structure parameters

• Formula: C58 H46 Br4 Mn2 N2 O4 P4
• Calculated formula: C58 H46 Br4 Mn2 N2 O4 P4
• 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: 13.137 ± 0.0012 Å
• b: 15.1638 ± 0.0011 Å
• c: 16.736 ± 0.0012 Å
• α: 99.164 ± 0.003°
• β: 110.439 ± 0.003°
• γ: 107.866 ± 0.003°
• Cell volume: 2837.6 ± 0.4 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260 ± 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: 0.091
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No