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Information card for entry 7226072
Preview
| Coordinates | 7226072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Complex 1 |
|---|---|
| Formula | C172 H136 Cr6 N8 Na O26 |
| Calculated formula | C172 H136 Cr6 N8 Na O26 |
| SMILES | c12ccc3ccccc3c2C=[N]2[O]3[Cr]4567[N](=Cc8c(O7)ccc7c8cccc7)[O]7[Cr]89%10([O]=C(O5)c5c%11ccccc%11cc%11ccccc5%11)[N](=Cc5c(O%10)ccc%10ccccc5%10)[O]([Cr]2([O]69)(O1)([O]=C(O4)c1c2ccccc2cc2ccccc12)[O]=C(c1c2ccccc2cc2ccccc12)O8)[Na]3712[O]([N]3=Cc4c5ccc6ccccc46)[Cr]4678[N](=Cc9c(O7)ccc7ccccc97)[O]1[Cr]179([O]=C(O8)c8c%10ccccc%10cc%10ccccc8%10)[N](=Cc8c(O7)ccc7ccccc87)[O]2[Cr]3(O5)([O]=C(O4)c2c3ccccc3cc3ccccc23)([O]=C(O1)c1c2ccccc2cc2ccccc12)[O]69.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC |
| Title of publication | Solvothermal Synthesis of Discrete Cages and Extended Networks Comprising {Cr(III)3O(O2CR)3(oxime)3}2- (R = H, CH3, C(CH3)3, C14H9) Building Blocks. |
| Authors of publication | Jones, Leigh Fon; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; G. Ryder, Alan; Piligkos, Stergios; Brechin, Euan K.; Houton, Edel |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 39.8 ± 0.002 Å |
| b | 17.276 ± 0.0006 Å |
| c | 30.452 ± 0.002 Å |
| α | 90° |
| β | 121.745 ± 0.004° |
| γ | 90° |
| Cell volume | 17805.9 ± 1.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.2936 |
| Residual factor for significantly intense reflections | 0.1343 |
| Weighted residual factors for significantly intense reflections | 0.3164 |
| Weighted residual factors for all reflections included in the refinement | 0.4039 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184718 (current) | 2016-07-29 | cif/ Adding structures of 7226072, 7226073, 7226074, 7226075, 7226076 via cif-deposit CGI script. |
7226072.cif |
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Users of the data should acknowledge the original authors of the
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