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Information card for entry 4310026
Preview
| Coordinates | 4310026.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cu-(NH3)4-HAP2 |
|---|---|
| Chemical name | copper complex of 1,3,4,6,7,9-Hexaazaphenalenyl anion |
| Formula | C14 H18 Cu N16 |
| Calculated formula | C14 H18 Cu N16 |
| SMILES | c1[n-]c2c3c(n1)ncnc3ncn2.[Cu]([NH3])([NH3])([NH3])[NH3].c1[n-]c2c3c(n1)ncnc3ncn2 |
| Title of publication | Hexaazaphenalenyl Anion Revisited: A Highly Symmetric Planar π System with Multiple-Networking Ability for Self-Assembled Metal Complexation |
| Authors of publication | Shuichi Suzuki; Yasushi Morita; Kozo Fukui; Kazunobu Sato; Daisuke Shiomi; Takeji Takui; Kazuhiro Nakasuji |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 8197 - 8199 |
| a | 6.818 ± 0.001 Å |
| b | 16.535 ± 0.003 Å |
| c | 15.868 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1788.9 ± 0.5 Å3 |
| Cell temperature | 150.2 K |
| Number of distinct elements | 4 |
| Space group number | 64 |
| Hermann-Mauguin space group symbol | C m c e |
| Hall space group symbol | -C 2ac 2 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for all reflections included in the refinement | 0.0951 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.18 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270074 (current) | 2021-10-24 | cif/4 Fixing Z values and formulae |
4310026.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4310026.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310026.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310026.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). |
4310026.cif |
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