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Information card for entry 4309177
Preview
| Coordinates | 4309177.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H28 Co N6 O8 |
|---|---|
| Calculated formula | C40 H28 Co N6 O8 |
| SMILES | [OH2][Co]([OH2])(ON(=O)=O)(ON(=O)=O)([n]1cccc(c1)C#Cc1ccc(cc1)C#Cc1cnccc1)[n]1cccc(c1)C#Cc1ccc(cc1)C#Cc1cccnc1 |
| Title of publication | Synthesis and Characterization of Diverse Coordination Polymers. Linear and Zigzag Chains Involving Their Structural Transformation via Intermolecular Hydrogen-Bonded, Interpenetrating Ladders Polycatenane, and Noninterpenetrating Square Grid from Long, Rigid N,N'-Bidentate Ligands: 1,4-Bis[(x-pyridyl)ethynyl]benzene (x= 3 and 4) |
| Authors of publication | Md. Badruz Zaman; Konstantin Udachin; John A. Ripmeester; Mark D. Smith; Hans-Conrad zur Loye |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 5047 - 5059 |
| a | 7.4928 ± 0.0005 Å |
| b | 8.948 ± 0.0005 Å |
| c | 14.8543 ± 0.0009 Å |
| α | 100.427 ± 0.001° |
| β | 97.324 ± 0.001° |
| γ | 110.901 ± 0.001° |
| Cell volume | 894.81 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0279 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0711 |
| Weighted residual factors for all reflections included in the refinement | 0.0728 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179129 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/91. |
4309177.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309177.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309177.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309177.cif |
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