Information card for entry 1557557

Structure parameters

• Common name: [Cu(bpy)(atth)(H2O)](NO3)2.3H2O
• Formula: C12 H20 Cu N8 O10 S
• Calculated formula: C12 Cu N8 O10 S
• SMILES: [Cu]12(Sc3n([NH2]1)cnn3)([OH2])[n]1ccccc1c1[n]2cccc1.O=N(=O)[O-].O=N(=O)[O-].O.O.O
• Title of publication: Syntheses and Structure Determinations of Two Copper(II)‒Thione Complexes
• Authors of publication: Heldal, Hilde E.; Sletten, Jorunn
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1996
• Journal volume: 50
• Pages of publication: 596 - 602
• a: 7.294 ± 0.003 Å
• b: 12.223 ± 0.006 Å
• c: 12.428 ± 0.004 Å
• α: 108.58 ± 0.04°
• β: 97.26 ± 0.03°
• γ: 97.01 ± 0.04°
• Cell volume: 1026.2 ± 0.8 ų
• Ambient diffraction temperature: 95 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 significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No