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Information card for entry 1555213
Preview
| Coordinates | 1555213.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H77 Cl1.5 N4 O5 Zn |
|---|---|
| Calculated formula | C70 H77 Cl1.5 N4 O5 Zn |
| Title of publication | Fixation of Zinc(II) Ion to Dioxygen in a Highly Deformed Porphyrin: Implications for the Oxygen Carrier Mechanism of Distorted Heme. |
| Authors of publication | Zhou, Zaichun; Zhou, Xiaochun; Liu, Qiuhua; Zhang, Xi; Liu, Haomin |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 16 |
| Pages of publication | 4078 - 4081 |
| a | 39.3331 ± 0.0014 Å |
| b | 14.7758 ± 0.0005 Å |
| c | 28.6914 ± 0.0009 Å |
| α | 90° |
| β | 131.696 ± 0.002° |
| γ | 90° |
| Cell volume | 12450.8 ± 0.8 Å3 |
| Cell temperature | 112.8 ± 0.3 K |
| Ambient diffraction temperature | 112.8 ± 0.3 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 | 0.0911 |
| Residual factor for significantly intense reflections | 0.0644 |
| Weighted residual factors for significantly intense reflections | 0.1645 |
| Weighted residual factors for all reflections included in the refinement | 0.1817 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238393 (current) | 2019-11-24 | cif/ Adding structures of 1555213 via cif-deposit CGI script. |
1555213.cif |
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