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Information card for entry 4511337
Preview
| Coordinates | 4511337.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H22 Ni3 O20 |
|---|---|
| Calculated formula | C18 H10 Ni3 O20 |
| Title of publication | Formation of Strong OH2···-O2C Hydrogen Bonds in a Trinuclear Core-Based Nickel 1,3,5-Benzenetricarboxylate Coordination Polymer |
| Authors of publication | Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2007 |
| Journal volume | 7 |
| Journal issue | 6 |
| Pages of publication | 1205 |
| a | 10.0453 ± 0.0004 Å |
| b | 10.0964 ± 0.0005 Å |
| c | 13.1545 ± 0.0006 Å |
| α | 75.7238 ± 0.0015° |
| β | 68.5836 ± 0.0012° |
| γ | 65.4318 ± 0.0012° |
| Cell volume | 1122.48 ± 0.09 Å3 |
| Cell temperature | 253.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for all reflections included in the refinement | 0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.244 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4511337.cif |
| 116926 | 2014-06-14 | cif/ Adding structures of 4511337 via cif-deposit CGI script. |
4511337.cif |
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Users of the data should acknowledge the original authors of the
structural data.