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Information card for entry 1567995
Preview
Coordinates | 1567995.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | compound [RhCl(L1)(P(Ad)2(n-Bu))] |
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Formula | C45 H61 Cl4 N O3 P Rh |
Calculated formula | C45 H61 Cl4 N O3 P Rh |
Title of publication | Determination of accessibility and spatial distribution of chiral Rh diene complexes immobilized on SBA-15 via phosphine-based solid-state NMR probe molecules |
Authors of publication | Rieg, Carolin; Kirchhof, Manuel; Gugeler, Katrin; Beurer, Ann-Katrin; Stein, Lukas; Dirnberger, Klaus; Frey, Wolfgang; Bruckner, Johanna R.; Traa, Yvonne; Kästner, Johannes; Ludwigs, Sabine; Laschat, Sabine; Dyballa, Michael |
Journal of publication | Catalysis Science & Technology |
Year of publication | 2023 |
Journal volume | 13 |
Journal issue | 2 |
Pages of publication | 410 - 425 |
a | 10.862 ± 0.002 Å |
b | 19.566 ± 0.004 Å |
c | 12.2 ± 0.002 Å |
α | 90° |
β | 111.654 ± 0.01° |
γ | 90° |
Cell volume | 2409.8 ± 0.8 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0575 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for significantly intense reflections | 0.1091 |
Weighted residual factors for all reflections included in the refinement | 0.1155 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
281310 (current) | 2023-03-04 | cif/ Updating files of 1567995 Original log message: Adding full bibliography for 1567995.cif. |
1567995.cif |
279470 | 2022-11-23 | cif/ Adding structures of 1567995 via cif-deposit CGI script. |
1567995.cif |
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Users of the data should acknowledge the original authors of the
structural data.