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Information card for entry 4039020
Preview
| Coordinates | 4039020.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | methylammonium pentaborate mono N-methylformamide |
|---|---|
| Formula | C3 H15 B5 N2 O11 |
| Calculated formula | C3 H15 B5 N2 O11 |
| SMILES | CNC=O.C[NH3+].B1(O[B]2(OB(O1)O)OB(O)OB(O2)O)O |
| Title of publication | Volume Increments for Crystalline Borates |
| Authors of publication | Wied, Jan K.; Bsharat, Ahd; Sauskojus, Wolfgang; Mangstl, Martin; Weber, Johannes; Schmedt auf der Günne, Jörn |
| Journal of publication | European Journal of Inorganic Chemistry |
| Year of publication | 2021 |
| Journal volume | 2022 |
| Journal issue | 3 |
| a | 7.304029 ± 0.000064 Å |
| b | 11.637716 ± 0.000099 Å |
| c | 17.10647 ± 0.00021 Å |
| α | 90° |
| β | 107.217 ± 0.00094° |
| γ | 90° |
| Cell volume | 1388.93 ± 0.03 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Ambient diffracton pressure | 1000 kPa |
| Number of distinct elements | 5 |
| 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 | 1.737 |
| Goodness-of-fit parameter for all reflections | 2.38 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5406 Å |
| Diffraction radiation type | CuKα1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287582 (current) | 2023-11-14 | cif/ Adding structures of 4039020 via cif-deposit CGI script. |
4039020.cif |
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