Information card for entry 4320765

Structure parameters

• Formula: C23 H51 Cl2 Cu N11 O8
• Calculated formula: C23 H51 Cl2 Cu N11 O8
• SMILES: [Cu]123([N](CC[N]1=C(N(C)C)N(C)C)(CC[N]2=C(N(C)C)N(C)C)CC[N]3=C(N(C)C)N(C)C)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Copper Complexes of Novel Superbasic Peralkylguanidine Derivatives of Tris(2-aminoethyl)amine as Constraint Geometry Ligands
• Authors of publication: Volker Raab; Jennifer Kipke; Olaf Burghaus; Jörg Sundermeyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6964 - 6971
• a: 16.08 ± 0.002 Å
• b: 13.2459 ± 0.0013 Å
• c: 16.367 ± 0.003 Å
• α: 90°
• β: 94.194 ± 0.019°
• γ: 90°
• Cell volume: 3476.7 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No