Information card for entry 7054793

Structure parameters

• Chemical name: Λ-bis(2,2'-bipridine-N,N')-(saccharinato-N)-copper(II) saccharinate dihydrate
• Formula: C34 H28 Cu N6 O8 S2
• Calculated formula: C34 H24 Cu N6 O8 S2
• SMILES: c1cccc2c3cccc[n]3[Cu]3([n]12)([n]1ccccc1c1cccc[n]31)N1C(=O)c2c(cccc2)S1(=O)=O.c12ccccc1C(=O)N=S2([O-])=O.O.O.O
• Title of publication: Absolute asymmetric synthesis of five-coordinate complexes
• Authors of publication: Lennartson, Anders; Håkansson, Mikael
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 5936
• a: 26.231 ± 0.003 Å
• b: 15.548 ± 0.002 Å
• c: 16.869 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6879.8 ± 1.7 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No