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Information card for entry 7056829
Preview
| Coordinates | 7056829.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H38 F3 N6 O4 Rh |
|---|---|
| Calculated formula | C37 H38 F3 N6 O4 Rh |
| SMILES | [Rh]12345(N(C(=[N]1c1c(F)cccc1)Nc1c(F)cccc1)c1c(F)cccc1)(n1nc(c(n1)C(=O)OCC)C(=O)OCC)[c]1([c]3([c]4([c]5([c]21C)C)C)C)C |
| Title of publication | Probing the factors that influence the conformation of a guanidinato ligand in [(η5-C5Me5)M(NN)X] (NN = chelating N,N′,N′′-tri(o-substituted aryl)guanidinate(1−); X = chloro, azido and triazolato) |
| Authors of publication | Kumar, Robin; Kishan, Ram; Thomas, Jisha Mary; Chinnappan, Sivasankar; Thirupathi, Natesan |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 3 |
| Pages of publication | 1853 |
| a | 11.5855 ± 0.0007 Å |
| b | 20.6617 ± 0.0011 Å |
| c | 15.7428 ± 0.0009 Å |
| α | 90° |
| β | 101.585 ± 0.006° |
| γ | 90° |
| Cell volume | 3691.7 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0934 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1151 |
| Weighted residual factors for all reflections included in the refinement | 0.1278 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 230567 (current) | 2019-11-17 | cif/ Updating files of 7056828, 7056829, 7056830, 7056831, 7056832, 7056833, 7056834, 7056835, 7056836, 7056837, 7056838 Original log message: Adding full bibliography for 7056828--7056838.cif. |
7056829.cif |
| 204388 | 2017-12-20 | cif/ Adding structures of 7056828, 7056829, 7056830, 7056831, 7056832, 7056833, 7056834, 7056835, 7056836, 7056837, 7056838 via cif-deposit CGI script. |
7056829.cif |
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Users of the data should acknowledge the original authors of the
structural data.