Information card for entry 8101856

Structure parameters

• Chemical name: bis(2,2'-bipyridine-N,N')(N-tosyl-β-alaninato-O)copper(II) chloride tetrahydrate
• Formula: C30 H36 Cl Cu N5 O8 S
• Calculated formula: C30 H36 Cl Cu N5 O8 S
• SMILES: [Cu]12(OC(=O)CCNS(=O)(=O)c3ccc(cc3)C)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.[Cl-].O.O.O.O
• Title of publication: Crystal structure of bis(2,2'-bipyridine-N,N')(N-tosyl-β-alaninato- O)copper(II) chloride tetra-hydrate, [Cu(C~10~H^8^N~2~)~2~(C~10~H~12~NO~4~S)] Cl · 4H~2~O
• Authors of publication: Ma, L.-F.; Zhang, Y.-H.; Wang, J.-G.; Wang, L.-Y.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 4
• Pages of publication: 603 - 605
• a: 10.4277 ± 0.0015 Å
• b: 12.785 ± 0.002 Å
• c: 13.838 ± 0.002 Å
• α: 68.583 ± 0.002°
• β: 73.664 ± 0.002°
• γ: 77.367 ± 0.002°
• Cell volume: 1634.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No