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Information card for entry 2213059
Preview
Coordinates | 2213059.cif |
---|---|
Structure factors | 2213059.hkl |
Original IUCr paper | HTML |
Chemical name | μ-Oxalato-κ^2^O^1^,O^2^:κ^2^O^1'^,O^2'^-bis[(3,5-dicarboxybenzoato- κ^2^O^1^,O^1'^)(1,10-phenanthroline-κ^2^N,N')copper(II)] |
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Formula | C44 H26 Cu2 N4 O16 |
Calculated formula | C44 H26 Cu2 N4 O16 |
SMILES | c1(cc(cc(c1)C(=O)O)C(=O)O)C(=O)O[Cu]12([n]3cccc4ccc5ccc[n]1c5c34)[O]=C1C(=[O][Cu]3(O1)([n]1cccc4ccc5ccc[n]3c5c14)OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O)O2 |
Title of publication | μ-Oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^:κ^2^<i>O</i>^1'^,<i>O</i>^2'^-bis[(3,5-dicarboxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] |
Authors of publication | Chao Qin |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 4 |
Pages of publication | m1006 - m1007 |
a | 8.3514 ± 0.0017 Å |
b | 9.0308 ± 0.0018 Å |
c | 13.794 ± 0.003 Å |
α | 85.72 ± 0.03° |
β | 86.43 ± 0.03° |
γ | 68.46 ± 0.03° |
Cell volume | 964.3 ± 0.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.081 |
Residual factor for significantly intense reflections | 0.052 |
Weighted residual factors for significantly intense reflections | 0.117 |
Weighted residual factors for all reflections included in the refinement | 0.133 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/2213059.html
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