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Information card for entry 7021754
Preview
| Coordinates | 7021754.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H32 B2 Cu F8 N4 O2 |
|---|---|
| Calculated formula | C26 H32 B2 Cu F8 N4 O2 |
| SMILES | c1[n]([Cu]([n]2ccccc2)([n]2ccccc2)([F][B](F)(F)F)([F][B](F)(F)F)[n]2ccccc2)cccc1.O=C(C)C.O=C(C)C |
| Title of publication | Anion-dependent host-guest properties of porous assemblies of coordination complexes (PACs), [Cu(A)2(py)4] (A = PF6, BF4, CF3SO3, and CH3SO3; py = pyridine), based on Werner-type copper(ii) complexes in the solid state. |
| Authors of publication | Noro, Shin-Ichiro; Fukuhara, Katsuo; Sugimoto, Kunihisa; Hijikata, Yuh; Kubo, Kazuya; Nakamura, Takayoshi |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 31 |
| Pages of publication | 11100 - 11110 |
| a | 15.2828 ± 0.0005 Å |
| b | 15.7662 ± 0.0006 Å |
| c | 13.1923 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3178.71 ± 0.19 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0501 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.1216 |
| Weighted residual factors for all reflections included in the refinement | 0.1276 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7021754.cif |
| 179922 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/17. |
7021754.cif |
| 87676 | 2013-08-27 | cif/ Adding structures of 7021750, 7021751, 7021752, 7021753, 7021754, 7021755, 7021756, 7021757 via cif-deposit CGI script. |
7021754.cif |
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