Information card for entry 4512614

Structure parameters

• Formula: C52 H52 Cl4 Cu2 N14 O16
• Calculated formula: C52 H52 Cl4 Cu2 N14 O16
• SMILES: c12ccccc1[nH]c1C(C)=[N]3CCC[N]4=C(c5[n](c6ccccc6[nH]5)[Cu]34([n]21)[n]1ccc(cc1)c1cc[n](cc1)[Cu]123[n]4c5ccccc5[nH]c4C(C)=[N]1CCC[N]2=C(C)c1[n]3c2ccccc2[nH]1)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors
• Authors of publication: Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 625
• a: 14.5503 ± 0.0005 Å
• b: 11.3288 ± 0.0003 Å
• c: 34.785 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5733.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2117
• Weighted residual factors for all reflections included in the refinement: 0.2259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No