Information card for entry 4337795

Structure parameters

• Formula: C76 H94 Cl3 Cu3 N6 O7
• Calculated formula: C76 H94 Cl3 Cu3 N6 O7
• SMILES: [Cu](Cl)=C1N(C(=O)C(C(=O)N1c1c(cc(cc1C)C)C)(C)C)c1c(cc(cc1C)C)C.[Cu]1([Cl][Cu]([Cl]1)=C1N(C(=O)C(C(=O)N1c1c(cc(cc1C)C)C)(C)C)c1c(cc(cc1C)C)C)=C1N(C(=O)C(C(=O)N1c1c(cc(cc1C)C)C)(C)C)c1c(cc(cc1C)C)C.O(CC)CC
• Title of publication: Copper diamidocarbene complexes: characterization of monomeric to tetrameric species.
• Authors of publication: Collins, Lee R.; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2699 - 2707
• a: 13.322 ± 0.0002 Å
• b: 17.076 ± 0.0002 Å
• c: 18.554 ± 0.0003 Å
• α: 113.943 ± 0.001°
• β: 104.89 ± 0.001°
• γ: 91.572 ± 0.001°
• Cell volume: 3686.36 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0761
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No