Information card for entry 4070122

Structure parameters

• Formula: C31 H56 Br Cu Ge2 N4
• Calculated formula: C31 H56 Br Cu Ge2 N4
• SMILES: Br[Cu]([Ge]1(N(C(=CC(=[N]1C(C)C)C)C)C(C)C)C)[Ge]1([N](=C(C)C=C(N1C(C)C)C)C(C)C)C.c1(ccccc1)C
• Title of publication: Spectroscopic and Structural Characterization of Copper−Germylene Complexes Bearing an Isopropyl-Substituted β-Diketiminate Ligand
• Authors of publication: Arii, Hidekazu; Nakadate, Fumiya; Mochida, Kunio
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 4909
• a: 13.305 ± 0.0004 Å
• b: 16.264 ± 0.0005 Å
• c: 16.581 ± 0.0004 Å
• α: 90°
• β: 90.837 ± 0.002°
• γ: 90°
• Cell volume: 3587.62 ± 0.18 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No