Information card for entry 4343053

Structure parameters

• Formula: C36 H51 Cu N2 P S3 Si3
• Calculated formula: C36 H51 Cu N2 P S3 Si3
• SMILES: c12c(c(ccc1)[Si](C)(C)C)S[Cu]13([P]2(c2c(S3)c(ccc2)[Si](C)(C)C)c2c(S1)c(ccc2)[Si](C)(C)C)[N]12CCN(CC1)CC2.c1ccccc1
• Title of publication: Ambient Stable Trigonal Bipyramidal Copper(III) Complexes Equipped with an Exchangeable Axial Ligand.
• Authors of publication: Chang, Hao-Ching; Lo, Feng-Chun; Liu, Wen-Chi; Lin, Tsung-Han; Liaw, Wen-Feng; Kuo, Ting-Shen; Lee, Way-Zen
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5527 - 5533
• a: 10.097 ± 0.0004 Å
• b: 15.1624 ± 0.0006 Å
• c: 15.3101 ± 0.0007 Å
• α: 110.765 ± 0.002°
• β: 98.845 ± 0.002°
• γ: 105.154 ± 0.002°
• Cell volume: 2035.04 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No