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Information card for entry 1577419
Preview
| Coordinates | 1577419.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C189 H118 Cl10 N36 O5 |
|---|---|
| Calculated formula | C189 H118 Cl10 N36 O5 |
| Title of publication | Enhanced and Selective Oxygen Reduction by Iron porphyrin with a Biguanidine Residue in the Second Coordination Sphere |
| Authors of publication | Patra, Suman; Ghosh, Soumili; Samanta, Soumya; Maurya, Nisha; Das, Somnath; Dey, Abhishek |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 33.0493 ± 0.0012 Å |
| b | 18.1817 ± 0.0006 Å |
| c | 57.8908 ± 0.0019 Å |
| α | 90° |
| β | 96.052 ± 0.001° |
| γ | 90° |
| Cell volume | 34592 ± 2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.186 |
| Residual factor for significantly intense reflections | 0.0989 |
| Weighted residual factors for significantly intense reflections | 0.2657 |
| Weighted residual factors for all reflections included in the refinement | 0.3292 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306594 (current) | 2026-06-18 | cif/ Adding structures of 1577419 via cif-deposit CGI script. |
1577419.cif |
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Users of the data should acknowledge the original authors of the
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