Information card for entry 7713566

Structure parameters

• Formula: C30 H30 Cl4 Cu F4 N2
• Calculated formula: C30 H30 Cl4 Cu F4 N2
• Title of publication: Fabrication of metal-organic salts with heterogeneous conformations of ligand as dual-functional of urease and nitrification inhibitors
• Authors of publication: Duan, Wen-Long; Ma, Cong; Luan, Jian; Ding, Fang; Yan, Feng; Zhang, Lei; Li, Wenze
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.9316 ± 0.0005 Å
• b: 12.8 ± 0.0006 Å
• c: 14.2699 ± 0.0007 Å
• α: 96.338 ± 0.002°
• β: 106.813 ± 0.002°
• γ: 112.103 ± 0.002°
• Cell volume: 1558.97 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No