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Information card for entry 4303056
Preview
| Coordinates | 4303056.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C21 H35 Cl N6 O9 |
|---|---|
| Calculated formula | C21 H31 Cl N6 O8 |
| SMILES | [Cl-].c1([nH+]c(nc(n1)N1CCC(CC1)C(=O)O)N1CCC(CC1)C(=O)O)N1CCC(CC1)C(=O)O.O.O |
| Title of publication | Interpenetrating Polyhedral MOF with a Primitive Cubic Network Based on Supermolecular Building Blocks Constructed of a Semirigid C3-Symmetric Carboxylate Ligand |
| Authors of publication | Xiaoliang Zhao; Haiyan He; Tuoping Hu; Fangna Dai; Daofeng Sun |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 8057 - 8059 |
| a | 8.222 ± 0.0007 Å |
| b | 11.092 ± 0.0009 Å |
| c | 14.4917 ± 0.0012 Å |
| α | 75.071 ± 0.001° |
| β | 82.961 ± 0.001° |
| γ | 83.433 ± 0.001° |
| Cell volume | 1262.65 ± 0.18 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 | 0.0758 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1254 |
| Weighted residual factors for all reflections included in the refinement | 0.139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4303056.cif |
| 179068 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/30. |
4303056.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4303056.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4303056.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4303056.cif |
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Users of the data should acknowledge the original authors of the
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