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Information card for entry 4326514
Preview
Coordinates | 4326514.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C143 H121 Cl6 Cu4 N17 O44 |
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Calculated formula | C143 H121 Cl6 Cu4 N17 O44 |
SMILES | [Cu]1234([Cu]5([O]=C([C@H](CC(N)=[O][Cu]6789[Cu]([O]=C([C@H](CC(N)=[O]5)N5C(=O)c%10c%11c(C5=O)cccc%11ccc%10)O6)([O]=C([C@H](CC(=O)N)N5C(=O)c6c%10c(C5=O)cccc%10ccc6)O7)([O]=C([C@H](CC(=O)N)N5C(=O)c6c7c(C5=O)cccc7ccc6)O8)([O]=C([C@H](CC(=O)N)N5C(=O)c6c7c(C5=O)cccc7ccc6)O9)[OH]C)N5C(=O)c6c7c(C5=O)cccc7ccc6)O1)([O]=C([C@H](CC(=O)N)N1C(=O)c5c6c(C1=O)cccc6ccc5)O2)([O]=C([C@H](CC(=O)N)N1C(=O)c2c5c(C1=O)cccc5ccc2)O3)[O]=C([C@H](CC(=O)N)N1C(=O)c2c3c(C1=O)cccc3ccc2)O4)[n]1ccccc1.CO.CO.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.CCOCC |
Title of publication | Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations |
Authors of publication | Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 10225 - 10240 |
a | 15.3235 ± 0.0005 Å |
b | 21.9549 ± 0.0008 Å |
c | 50.9472 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 17140 ± 1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.051 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.1007 |
Weighted residual factors for all reflections included in the refinement | 0.1038 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4326514.html
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