Information card for entry 7034563

Structure parameters

• Formula: C32 H41 Cl2 Cu N5 O12
• Calculated formula: C32 H41 Cl2 Cu N5 O12
• SMILES: C1COc2ccccc2OCCOc2ccc(cc2)C[NH]2CC[NH]3CC[NH](Cc4ccc(cc4)O1)[Cu]23([N]#CC)[N]#CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Amino-ether macrocycle that forms Cu(II) templated threaded heteroleptic complexes: a detailed selectivity, structural and theoretical investigations.
• Authors of publication: Santra, Saikat; Mukherjee, Sandip; Bej, Somnath; Saha, Subrata; Ghosh, Pradyut
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 15198 - 15211
• a: 25.141 ± 0.003 Å
• b: 9.0132 ± 0.0011 Å
• c: 16.941 ± 0.002 Å
• α: 90°
• β: 104.205 ± 0.004°
• γ: 90°
• Cell volume: 3721.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.2275
• Weighted residual factors for all reflections included in the refinement: 0.2604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No