Information card for entry 4327782

Structure parameters

• Formula: C24 H54 Cu3 N7
• Calculated formula: C24 H54 Cu3 N7
• SMILES: [Cu]123[Cu]4([Cu]1([N](=C(N3C(C)(C)C)N(C)C)C(C)(C)C)[N]4(C)C)[N](=C(N2C(C)(C)C)N(C)C)C(C)(C)C
• Title of publication: Multinuclear Copper(I) Guanidinate Complexes
• Authors of publication: Alexander M. Willcocks; Thomas P. Robinson; Christopher Roche; Thomas Pugh; Stephen P. Richards; Andrew J. Kingsley; John P. Lowe; Andrew L. Johnson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 246 - 257
• a: 13.634 ± 0.0001 Å
• b: 15.671 ± 0.0002 Å
• c: 14.852 ± 0.0002 Å
• α: 90°
• β: 94.945 ± 0.001°
• γ: 90°
• Cell volume: 3161.44 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No