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Information card for entry 4509887
Preview
Coordinates | 4509887.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H27 Cl6 N3 O13 |
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Calculated formula | C33 H20 N3 O12 |
SMILES | c1(cc(cc(c1)OC(=O)c1ccncc1)OC(=O)c1ccncc1)OC(=O)c1ccncc1.O=C(O)c1cc(cc(c1)C(=O)O)C(=O)O |
Title of publication | Topological Equivalences between Coordination Polymer and Co-crystal: A Tecton Approach in Crystal Engineering |
Authors of publication | Mukherjee, Gargi; Biradha, Kumar |
Journal of publication | Crystal Growth & Design |
Year of publication | 2014 |
Journal volume | 14 |
Journal issue | 2 |
Pages of publication | 419 |
a | 20.565 ± 0.008 Å |
b | 22.834 ± 0.008 Å |
c | 7.502 ± 0.003 Å |
α | 90° |
β | 90.73 ± 0.012° |
γ | 90° |
Cell volume | 3523 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1753 |
Residual factor for significantly intense reflections | 0.0645 |
Weighted residual factors for significantly intense reflections | 0.1473 |
Weighted residual factors for all reflections included in the refinement | 0.187 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.732 |
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/4509887.html
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