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Information card for entry 2243407
Preview
| Coordinates | 2243407.cif |
|---|---|
| Structure factors | 2243407.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)nickel(II)]-μ-4,4'-(diphenylsilanediyl)dibenzoato-κ^2^<i>O</i>:<i>O</i>'] sesquihydrate] |
|---|---|
| Formula | C72 H90 N8 Ni2 O11 Si2 |
| Calculated formula | C72 H90 N8 Ni2 O11 Si2 |
| Title of publication | Crystal structure of the one-dimensional coordination polymer formed by the macrocyclic [Ni(cyclam)]^2+^ cation and the dianion of diphenylsilanediylbis(4-benzoic acid) |
| Authors of publication | Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Lampeka, Yaroslaw D. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 6 |
| Pages of publication | 929 - 932 |
| a | 25.39 ± 0.004 Å |
| b | 7.3865 ± 0.001 Å |
| c | 18.2424 ± 0.0016 Å |
| α | 90° |
| β | 98.161 ± 0.01° |
| γ | 90° |
| Cell volume | 3386.6 ± 0.8 Å3 |
| Cell temperature | 200 ± 0.1 K |
| Ambient diffraction temperature | 200 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1131 |
| Residual factor for significantly intense reflections | 0.0658 |
| Weighted residual factors for significantly intense reflections | 0.1199 |
| Weighted residual factors for all reflections included in the refinement | 0.1466 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252477 (current) | 2020-05-30 | cif/ hkl/ Adding structures of 2243407 via cif-deposit CGI script. |
2243407.cif 2243407.hkl |
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Users of the data should acknowledge the original authors of the
structural data.