Information card for entry 8101879

Structure parameters

• Chemical name: (1,10-phenanthroline)(N-p-tolylsulfonyl-serinato)copper(II)
• Formula: C22 H19 Cu N3 O5 S
• Calculated formula: C22 H19 Cu N3 O5 S
• SMILES: [Cu]123([n]4cccc5ccc6ccc[n]3c6c45)OC(=O)[C@@H](N2S(=O)(=O)c2ccc(cc2)C)C[OH]1
• Title of publication: Crystal structure of (1,10-phenanthroline)(N-tosylserinato)copper (II), Cu(C~12~H~8~N~2~)(C~10~H~11~NO~5~S)
• Authors of publication: Wang, J.-G.; Ma, L.-F.; Wang, L.-Y.; Wang, Y.-H.; Liu, R.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 4
• Pages of publication: 606 - 608
• a: 6.2202 ± 0.0007 Å
• b: 9.416 ± 0.0011 Å
• c: 10.3386 ± 0.0018 Å
• α: 109.186 ± 0.002°
• β: 105.136 ± 0.002°
• γ: 103.455 ± 0.002°
• Cell volume: 517.27 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No