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Information card for entry 7063706
Preview
| Coordinates | 7063706.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H58 B N5 O2 |
|---|---|
| Calculated formula | C44 H58 B N5 O2 |
| Title of publication | Exploring Tetra-Coordinate Bis-Guanidinate Supported Boron Complexes: Synthesis, Characterization, and Photophysical Properties |
| Authors of publication | Rajput, Sagrika; M T, Nithya; Dhala, Sasmita; Venkatasubbaiah, Krishnan; Nembenna, Sharanappa |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 15.6239 ± 0.0002 Å |
| b | 17.405 ± 0.0003 Å |
| c | 29.4625 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8011.9 ± 0.2 Å3 |
| Cell temperature | 99.99 ± 0.13 K |
| Ambient diffraction temperature | 99.99 ± 0.13 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0597 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1183 |
| Weighted residual factors for all reflections included in the refinement | 0.1243 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298494 (current) | 2025-03-18 | cif/ Adding structures of 7063704, 7063705, 7063706, 7063707, 7063708, 7063709, 7063710 via cif-deposit CGI script. |
7063706.cif |
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Users of the data should acknowledge the original authors of the
structural data.