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Information card for entry 1571391
Preview
Coordinates | 1571391.cif |
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Original paper (by DOI) | HTML |
Formula | C32.5 H24 Cl F10 Ir N6 O0.5 P |
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Calculated formula | C32.5 H24 Cl F10 Ir N6 O0.5 P |
Title of publication | Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors |
Authors of publication | Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. |
Journal of publication | Crystals |
Year of publication | 2024 |
Journal volume | 14 |
Journal issue | 3 |
Pages of publication | 281 |
a | 13.8002 ± 0.0006 Å |
b | 14.3504 ± 0.0006 Å |
c | 17.3147 ± 0.0008 Å |
α | 72.193 ± 0.002° |
β | 89.145 ± 0.002° |
γ | 89.584 ± 0.002° |
Cell volume | 3264.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0513 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.0839 |
Weighted residual factors for all reflections included in the refinement | 0.0944 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
291084 (current) | 2024-04-05 | cif/ Adding structures of 1571385, 1571386, 1571387, 1571388, 1571389, 1571390, 1571391, 1571392, 1571393 via cif-deposit CGI script. |
1571391.cif |
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Users of the data should acknowledge the original authors of the
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