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Information card for entry 7130436
Preview
Coordinates | 7130436.cif |
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Original paper (by DOI) | HTML |
Formula | C49 H61 B Cl3 Ir N2 P2 |
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Calculated formula | C49 H61 B Cl3 Ir N2 P2 |
Title of publication | Importance of steric bulkiness of iridium photocatalysts with PNNP tetradentate ligands for CO2 reduction |
Authors of publication | Kamada, Kenji; Jung, Jieun; Kametani, Yohei; Wakabayashi, Taku; Shiota, Yoshihito; Yoshizawa, Kazunari; Bae, Seong Hee; Muraki, Manami; Naruto, Masayuki; Sekizawa, Keita; Sato, Shunsuke; Morikawa, Takeshi; Saito, Susumu |
Journal of publication | Chemical Communications |
Year of publication | 2022 |
a | 12.7305 ± 0.0002 Å |
b | 13.2336 ± 0.0002 Å |
c | 14.6639 ± 0.0002 Å |
α | 81.145 ± 0.001° |
β | 79.376 ± 0.001° |
γ | 76.024 ± 0.001° |
Cell volume | 2340.65 ± 0.06 Å3 |
Cell temperature | 123.15 K |
Ambient diffraction temperature | 123.15 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0285 |
Residual factor for significantly intense reflections | 0.0243 |
Weighted residual factors for significantly intense reflections | 0.0553 |
Weighted residual factors for all reflections included in the refinement | 0.0564 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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