Information card for entry 7104052

Structure parameters

• Formula: C62 H95 Cl3 Cu2 N16 O16 Zn2
• Calculated formula: C62 H95 Cl3 Cu2 N16 O16 Zn2
• SMILES: [Cu]1234[NH]5CC[N]1(CC[NH]2Cc1ccc(C[NH]2[Zn]67([N](CC2)(CC[NH]6Cc2ccc(C5)cc2)CCO7)[n]2cn3cc2)cc1)CCO4.[Cu]1234[NH]5CC[N]2(CC[NH]1Cc1ccc(cc1)C[NH]1[Zn]26([NH](CC[N]2(CC1)CC[OH]6)Cc1ccc(cc1)C5)[n]1cn3cc1)CCO4.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: A novel imidazolate-bridged heterodinuclear Cu(II)Zn(II) complex derived from a unique macrocyclic ligand with two hydroxyethyl pendants
• Authors of publication: Li, Shu-an; Li, Dong-feng; Yang, De-xi; Li, Yi-zhi; Huang, Jin; Yu, Kai-bei; Tang, Wen-xia
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 880 - 881
• a: 14.172 ± 0.002 Å
• b: 16.673 ± 0.002 Å
• c: 21.284 ± 0.003 Å
• α: 74.11 ± 0.01°
• β: 75.2 ± 0.01°
• γ: 82.22 ± 0.01°
• Cell volume: 4665 ± 1.1 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: 0.0931
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No