Information card for entry 1573022

Structure parameters

• Formula: C34 H30 Cl4 Mn N2 P2
• Calculated formula: C34 H30 Cl4 Mn N2 P2
• SMILES: c1(cccc[nH+]1)P(c1ccccc1)c1ccccc1.Cl[Mn](Cl)([Cl-])[Cl-].c1(cccc[nH+]1)P(c1ccccc1)c1ccccc1
• Title of publication: Optical activity levels of metal centers controlling multi-mode emissions in low-dimensional hybrid metal halides for anti-counterfeiting and information encryption.
• Authors of publication: Ren, Qiqiong; Zhou, Guojun; Mao, Yilin; Zhang, Nan; Zhang, Jian; Zhang, Xian-Ming
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 40
• Pages of publication: 16536 - 16545
• a: 16.3477 ± 0.001 Å
• b: 8.1633 ± 0.0005 Å
• c: 26.8181 ± 0.0016 Å
• α: 90°
• β: 96.399 ± 0.002°
• γ: 90°
• Cell volume: 3556.6 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No