Information card for entry 4302233

Structure parameters

• Common name: [Cu(DEDDMG)]6 (1)
• Chemical name: Hexakis((μ~2~-Diethyldimethylguanidino-N)-copper(i))
• Formula: C42 H96 Cu6 N18
• Calculated formula: C42 H96 Cu6 N18
• SMILES: C(=[N]1[Cu]23[N](=C(N(C)C)N(CC)CC)[Cu]43[N](=C(N(CC)CC)N(C)C)[Cu]34[N](=C(N(C)C)N(CC)CC)[Cu]43[N](=C(N(C)C)N(CC)CC)[Cu]34[N](=C(N(CC)CC)N(C)C)[Cu]123)(N(C)C)N(CC)CC
• Title of publication: Synthetic, Structural, and Theoretical Investigation of Guanidinate Complexes Containing Planar Cu6 Cores
• Authors of publication: Scott D. Bunge; Jesus A. Ocana; Travis L. Cleland; Jennifer L. Steele
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4619 - 4621
• a: 21.9704 ± 0.0019 Å
• b: 13.0146 ± 0.0012 Å
• c: 20.8282 ± 0.0019 Å
• α: 90°
• β: 106.834 ± 0.002°
• γ: 90°
• Cell volume: 5700.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No