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Information card for entry 7063709
Preview
| Coordinates | 7063709.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H72 B N5 O4 |
|---|---|
| Calculated formula | C60 H72 B N5 O4 |
| 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 | 15.439 ± 0.0003 Å |
| b | 16.2615 ± 0.0003 Å |
| c | 21.087 ± 0.0003 Å |
| α | 90° |
| β | 90.257 ± 0.001° |
| γ | 90° |
| Cell volume | 5294.08 ± 0.16 Å3 |
| Cell temperature | 100.01 ± 0.11 K |
| Ambient diffraction temperature | 100.01 ± 0.11 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0861 |
| Residual factor for significantly intense reflections | 0.081 |
| Weighted residual factors for significantly intense reflections | 0.21 |
| Weighted residual factors for all reflections included in the refinement | 0.2143 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7063709.cif |
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Users of the data should acknowledge the original authors of the
structural data.