Information card for entry 7011124

Structure parameters

• Formula: C18 H25 Cl Cu N5 O4
• Calculated formula: C18 H25 Cl Cu N5 O4
• SMILES: [Cu]123([N](Cc4[n]2cccc4)(Cc2[n]3cccc2)CC[N]1(C)C)[N]#CC.Cl(=O)(=O)(=O)[O-]
• Title of publication: Low temperature stopped-flow studies in inorganic chemistry
• Authors of publication: Markus Weitzer; Markus Schatz; Frank Hampel; Frank W. Heinemann; Siegfried Schindler
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 5
• Pages of publication: 686 - 694
• a: 7.6692 ± 0.0001 Å
• b: 11.1356 ± 0.0002 Å
• c: 13.1908 ± 0.0002 Å
• α: 70.28 ± 0.001°
• β: 78.072 ± 0.001°
• γ: 85.083 ± 0.001°
• Cell volume: 1037.39 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0393
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No