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Information card for entry 4319422
Preview
| Coordinates | 4319422.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H7 B N10 |
|---|---|
| Calculated formula | C9 H7 B N10 |
| SMILES | N(=N#N)[B](N=N#N)(N=N#N)[n]1cccc2ccccc12 |
| Title of publication | Highly Energetic Tetraazidoborate Anion and Boron Triazide Adducts |
| Authors of publication | Wolfgang Fraenk; Tassilo Habereder; Anton Hammerl; Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Heinrich Nöth; Marcus Warchhold |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 1334 - 1340 |
| a | 7.2035 ± 0.0007 Å |
| b | 8.2093 ± 0.0008 Å |
| c | 11.642 ± 0.0011 Å |
| α | 104.729 ± 0.002° |
| β | 96.014 ± 0.002° |
| γ | 112.423 ± 0.001° |
| Cell volume | 599.62 ± 0.1 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.052 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.1085 |
| Weighted residual factors for all reflections included in the refinement | 0.1176 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4319422.cif |
| 179274 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/94. |
4319422.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319422.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319422.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4319422.cif |
| 16154 | 2011-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 4319422 via cif-deposit CGI script. |
4319422.cif |
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Users of the data should acknowledge the original authors of the
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