Information card for entry 1557218

Structure parameters

• Common name: [Cu(tbima)(N03)](NO3).H20
• Formula: C24 H23 Cu N9 O7
• Calculated formula: C24 Cu N9 O7
• SMILES: [Cu]1234([O]=N(=O)O1)[N](Cc1n2c2ccccc2n1)(Cc1n3c2ccccc2n1)Cc1n4c2ccccc2n1.O=N(=O)[O-].O
• Title of publication: Copper(II) Complex of the Tripodal Ligand Tris((benzimidazol-2-yl)methyl)amine and its Bonding to a Sulfur Ligand of Thiolate Character
• Authors of publication: Sletten, Jorunn; Grove, Hilde
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 822 - 831
• a: 9.791 ± 0.003 Å
• b: 9.644 ± 0.003 Å
• c: 13.622 ± 0.004 Å
• α: 96.31 ± 0.02°
• β: 96.93 ± 0.01°
• γ: 97.08 ± 0.01°
• Cell volume: 1256.9 ± 0.7 ų
• Ambient diffraction temperature: 104 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.542
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No