Information card for entry 2014589

Structure parameters

• Common name: μ-iminodiacetato-1:2κ^4^O,N,O':O''-tris(1,10-phenanthroline)- 1κ^4^N,N';2κ^2^N,N'-dicopper(II) diperchlorate methanol solvate
• Chemical name: μ-iminodiacetato-1:2κ^4^O,N,O':O''-tris(1,10-phenanthroline)- 1κ^4^N,N';2κ^2^N,N'-dicopper(II) diperchlorate methanol solvate
• Formula: C41 H33 Cl2 Cu2 N7 O13
• Calculated formula: C41 H33 Cl2 Cu2 N7 O13
• SMILES: [Cu]12(OC3=[O][Cu]45(OC(=O)C[NH]4C3)[n]3cccc4c3c3[n]5cccc3cc4)([n]3cccc4c3c3[n]1cccc3cc4)[n]1c3c4[n]2cccc4ccc3ccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC
• Title of publication: [Cu(phen)~2~(μ-IDA)Cu(phen)](ClO~4~)~2~·CH~3~OH: tridentate and monodentate binding to two copper(II) species by a bridging ligand
• Authors of publication: Wei, Yi-Bin; Yuan, Cai-Xia; Yang, Pin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m512 - m514
• a: 10.511 ± 0.003 Å
• b: 13.707 ± 0.004 Å
• c: 15.551 ± 0.005 Å
• α: 72.785 ± 0.004°
• β: 82.336 ± 0.004°
• γ: 78.048 ± 0.005°
• Cell volume: 2087.5 ± 1.1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 566 ± 2 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 all reflections: 0.1248
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes