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Information card for entry 2227042
Preview
Coordinates | 2227042.cif |
---|---|
Structure factors | 2227042.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(μ-naphthalene-1,8-dicarboxylato- κ^2^<i>O</i>^1^:<i>O</i>^8^)bis[aquabis(<i>N</i>,<i>N</i>'- dimethylformamide-κ<i>O</i>)copper(II)] |
---|---|
Formula | C36 H44 Cu2 N4 O14 |
Calculated formula | C36 H44 Cu2 N4 O14 |
SMILES | C1(=O)c2c3c(cccc3ccc2)C(=O)O[Cu]([O]=CN(C)C)([O]=CN(C)C)([OH2])OC(=O)c2cccc3c2c(ccc3)C(=O)O[Cu](O1)([O]=CN(C)C)([O]=CN(C)C)[OH2] |
Title of publication | Bis(μ-naphthalene-1,8-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^8^)bis[aquabis(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)copper(II)] |
Authors of publication | Fu, Jun-Dan; Zhang, Chun-Yan; Shi, Qing-Yu; Wen, Yi-Hang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 8 |
Pages of publication | m1003 - m1004 |
a | 17.7078 ± 0.0004 Å |
b | 9.9025 ± 0.0001 Å |
c | 23.0393 ± 0.0005 Å |
α | 90° |
β | 102.249 ± 0.002° |
γ | 90° |
Cell volume | 3948 ± 0.13 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for significantly intense reflections | 0.0268 |
Weighted residual factors for significantly intense reflections | 0.0734 |
Weighted residual factors for all reflections included in the refinement | 0.076 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/2227042.html
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