Information card for entry 4512610

Structure parameters

• Formula: C22 H26 Cl2 Cu N6 O9
• Calculated formula: C22 H26 Cl2 Cu N6 O9
• SMILES: [Cu]123[n]4c([nH]c5c4cccc5)C(=[N]3CCC[N]1=C(C)c1[nH]c3c(cccc3)[n]21)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC
• 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: 9.9049 ± 0.0006 Å
• b: 10.7803 ± 0.0008 Å
• c: 13.9607 ± 0.0009 Å
• α: 107.848 ± 0.006°
• β: 101.55 ± 0.005°
• γ: 104.173 ± 0.006°
• Cell volume: 1313.14 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1022
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No