Information card for entry 4337792

Structure parameters

• Formula: C55 H64 Cl2 Cu2 N4 O4
• Calculated formula: C55 H64 Cl2 Cu2 N4 O4
• SMILES: [Cu]1([Cl][Cu]([Cl]1)=C1N(c2c(cc(cc2C)C)C)C(=O)C(C(=O)N1c1c(C)cc(cc1C)C)(C)C)=C1N(c2c(cc(C)cc2C)C)C(=O)C(C(=O)N1c1c(cc(cc1C)C)C)(C)C.c1(ccccc1)C
• 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: 28.528 ± 0.0004 Å
• b: 11.988 ± 0.0002 Å
• c: 31.504 ± 0.0006 Å
• α: 90°
• β: 99.347 ± 0.001°
• γ: 90°
• Cell volume: 10631.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1587
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No