Information card for entry 4306844

Structure parameters

• Formula: C10 H21 Cl Cu N3 O5
• Calculated formula: C10 H21 Cl Cu N3 O5
• SMILES: C[N]12CC[N]3([Cu]1(C#[O])[N](CC3)(C)CC2)C.[O-]Cl(=O)(=O)=O
• Title of publication: 63Cu NMR Spectroscopy of Copper(I) Complexes with Various Tridentate Ligands: CO as a Useful 63Cu NMR Probe for Sharpening 63Cu NMR Signals and Analyzing the Electronic Donor Effect of a Ligand
• Authors of publication: Masato Kujime; Takuya Kurahashi; Masaaki Tomura; Hiroshi Fujii
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 541 - 551
• a: 11.3362 ± 0.0011 Å
• b: 11.3362 ± 0.0011 Å
• c: 11.3362 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1456.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No