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Information card for entry 7701727
Preview
Coordinates | 7701727.cif |
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Original paper (by DOI) | HTML |
Formula | C73.3 H56.25 Cu I Ir N4 O0.825 P |
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Calculated formula | C72 H53 Cu I Ir N4 O0.5 P |
Title of publication | Iridium porphyrin complexes with μ-nitrido, hydroxo, hydrosulfido and alkynyl ligands. |
Authors of publication | So, Shiu-Chun; Cheung, Wai-Man; Chiu, Wai-Hang; de Vere-Tucker, Matthew; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 23 |
Pages of publication | 8340 - 8349 |
a | 50.7613 ± 0.0008 Å |
b | 11.4855 ± 0.0002 Å |
c | 20.6642 ± 0.0003 Å |
α | 90° |
β | 90.0435 ± 0.0013° |
γ | 90° |
Cell volume | 12047.6 ± 0.3 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 8 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0923 |
Residual factor for significantly intense reflections | 0.0755 |
Weighted residual factors for significantly intense reflections | 0.1747 |
Weighted residual factors for all reflections included in the refinement | 0.1876 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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