Information card for entry 1573019

Structure parameters

• Formula: C34 H30 Cd Cl4 N2 P2
• Calculated formula: C34 H30 Cd Cl4 N2 P2
• SMILES: c1cccc([nH+]1)P(c1ccccc1)c1ccccc1.[Cd](Cl)(Cl)([Cl-])[Cl-].c1cccc([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: 16.4372 ± 0.0006 Å
• b: 8.2217 ± 0.0003 Å
• c: 26.8461 ± 0.0009 Å
• α: 90°
• β: 96.244 ± 0.003°
• γ: 90°
• Cell volume: 3606.5 ± 0.2 ų
• Cell temperature: 268.55 ± 0.1 K
• Ambient diffraction temperature: 268.55 ± 0.1 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: 0.0509
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No