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Information card for entry 4500391
Preview
| Coordinates | 4500391.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H66 N18 Ni3 O18 |
|---|---|
| Calculated formula | C72 H66 N18 Ni3 O18 |
| Title of publication | Hydrothermal Syntheses of Metal‒Organic Frameworks Constructed from Aromatic Polycarboxylate and 4,4′-Bis(1,2,4-triazol-1-ylmethyl)biphenyl |
| Authors of publication | Mu, Yajuan; Fu, Junhong; Song, Yajing; Li, Zhen; Hou, Hongwei; Fan, Yaoting |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 6 |
| Pages of publication | 2183 |
| a | 9.5275 ± 0.0019 Å |
| b | 14.861 ± 0.003 Å |
| c | 25.048 ± 0.005 Å |
| α | 90° |
| β | 96.92 ± 0.03° |
| γ | 90° |
| Cell volume | 3520.7 ± 1.2 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 | 0.1068 |
| Residual factor for significantly intense reflections | 0.0834 |
| Weighted residual factors for significantly intense reflections | 0.1545 |
| Weighted residual factors for all reflections included in the refinement | 0.1678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.163 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179534 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/03. |
4500391.cif |
| 132563 | 2015-02-28 | cif/ (antanas@koala.ibt.lt) Removed trailing "===END===" strings from values of '_refine_diff_density_rms' tag for 87 CIFs in range 4. |
4500391.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500391.cif |
| 34475 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500388, 4500389, 4500390, 4500391, 4500392, 4500393 via cif-deposit CGI script. |
4500391.cif |
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Users of the data should acknowledge the original authors of the
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