Information card for entry 1557558

Structure parameters

• Common name: [Cu(bpy)(imthim)(NO3)](NO3).H2O
• Formula: C16 H20 Cu N8 O7 S
• Calculated formula: C16 Cu N8 O7 S
• SMILES: [Cu]123([S]=C4N(c5[n]2cc[nH]5)C=CN4)(ON(=O)=[O]1)[n]1ccccc1c1[n]3cccc1.O=N(=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: 9.746 ± 0.001 Å
• b: 10.37 ± 0.002 Å
• c: 12.576 ± 0.002 Å
• α: 68.21 ± 0.01°
• β: 68.52 ± 0.01°
• γ: 62.53 ± 0.01°
• Cell volume: 1017.4 ± 0.3 ų
• Ambient diffraction temperature: 103 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: 0.034
• Weighted residual factors for significantly intense reflections: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No