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Information card for entry 4512502
Preview
| Coordinates | 4512502.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4 |
|---|---|
| Formula | C58 H58 N6 O23 Pb4 |
| Calculated formula | C58 H58 N6 O23 Pb4 |
| Title of publication | Role of Ethynyl-Derived Weak Hydrogen-Bond Interactions in the Supramolecular Structures of 1D, 2D, and 3D Coordination Polymers Containing 5-Ethynyl-1,3-benzenedicarboxylate |
| Authors of publication | Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 1 |
| Pages of publication | 465 |
| a | 11.6687 ± 0.0001 Å |
| b | 11.6687 ± 0.0001 Å |
| c | 25.111 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3419.08 ± 0.07 Å3 |
| Cell temperature | 150.05 ± 0.1 K |
| Ambient diffraction temperature | 150.05 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.0393 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections included in the refinement | 0.0698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204145 (current) | 2017-12-11 | cif/4/ Updating space group information in entries 4345965, 4345966, 4345967, 4345968, 4345969, 4345970, 4345971, 4345972, 4345973, 4512502, 4512503, 4514034, 4514035. |
4512502.cif |
| 179672 | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/25. |
4512502.cif |
| 130467 | 2015-02-04 | cif/ Updating files of 4512498, 4512499, 4512500, 4512501, 4512502, 4512503 Original log message: Adding full bibliography for 4512498--4512503.cif. |
4512502.cif |
| 128895 | 2014-12-21 | cif/ Adding structures of 4512498, 4512499, 4512500, 4512501, 4512502, 4512503 via cif-deposit CGI script. |
4512502.cif |
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Users of the data should acknowledge the original authors of the
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