Information card for entry 4320767

Structure parameters

• Formula: C65 H150 Cl5 Cu3 N30 O
• Calculated formula: C63 H144 Cl5 Cu3 N30
• SMILES: [Cu]123(Cl)[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.[Cl-]
• 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: 13.1035 ± 0.0013 Å
• b: 13.107 ± 0.0009 Å
• c: 29.21 ± 0.002 Å
• α: 89.958 ± 0.008°
• β: 89.599 ± 0.011°
• γ: 60.428 ± 0.007°
• Cell volume: 4363.1 ± 0.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0797
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 0.805
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No