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Information card for entry 2014589
Preview
Coordinates | 2014589.cif |
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Structure factors | 2014589.hkl |
Original IUCr paper | HTML |
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 |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2014589.html
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