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Information card for entry 2225577
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| Coordinates | 2225577.cif |
|---|---|
| Structure factors | 2225577.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(ethylenediammonium) tetradecaborate |
|---|---|
| Formula | C4 H26 B14 N4 O26 |
| Calculated formula | C4 H26 B14 N4 O26 |
| SMILES | B1(O)O[B@@]23OB(O1)OB1O[B@@]4(O[B@@]5(OB(O)OB(OB6O[B@@](O2)(OB(O3)O)OB(O6)O)O5)OB(O)O4)OB(O1)O.C(C[NH3+])[NH3+].C(C[NH3+])[NH3+] |
| Title of publication | Bis(ethylenediammonium) tetradecaborate |
| Authors of publication | Wang, Guo-Ming; Wang, Pei; Li, Zeng-Xin; Li, Hui; Liu, Hui-Luan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 4 |
| Pages of publication | o798 - o799 |
| a | 8.4849 ± 0.0003 Å |
| b | 8.8387 ± 0.0003 Å |
| c | 10.0406 ± 0.0002 Å |
| α | 95.085 ± 0.002° |
| β | 96.942 ± 0.003° |
| γ | 116.856 ± 0.004° |
| Cell volume | 658.08 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0561 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2225577.cif 2225577.hkl |
| 181176 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/55. |
2225577.cif 2225577.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2225577.cif 2225577.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225577.cif 2225577.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2225577.cif 2225577.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225577.cif 2225577.hkl |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
2225577.cif 2225577.hkl |
| 1157 | 2010-05-06 | hkl/ Adding Fobs data for the recent IUCr deposition. |
2225577.cif 2225577.hkl |
| 1144 | 2010-05-03 | cif/2/ Adding CIFs from Acta-Cryst-E-2010_04/ deposition. |
2225577.cif |
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Users of the data should acknowledge the original authors of the
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