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Information card for entry 4324088
Preview
| Coordinates | 4324088.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | dodecahydro-arachno-bis-amine |
|---|---|
| Formula | B10 H18 N2 |
| Calculated formula | B10 H18 N2 |
| SMILES | [BH]12([BH]345[BH]671[BH]18([BH]9([BH]%10%111[BH]368[BH]15%11[BH]324[BH]9%101[H]3)[NH3])[H]7)[NH3] |
| Title of publication | Real-Space Indicators for Chemical Bonding. Experimental and Theoretical Electron Density Studies of Four Deltahedral Boranes |
| Authors of publication | Stefan Mebs; Roman Kalinowski; Simon Grabowsky; Diana Förster; Rainer Kickbusch; Eugen Justus; Wolfgang Morgenroth; Carsten Paulmann; Peter Luger; Detlef Gabel; Dieter Lentz |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 90 - 103 |
| a | 17.863 ± 0.004 Å |
| b | 7.316 ± 0.002 Å |
| c | 7.177 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 937.9 ± 0.4 Å3 |
| Cell temperature | 9 ± 2 K |
| Ambient diffraction temperature | 9 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.056 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for all reflections included in the refinement | 0.061 |
| RFsqd | 0.036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.448 |
| Diffraction radiation wavelength | 0.5166 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179343 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/40. |
4324088.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324088.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4324088.cif |
| 24379 | 2011-08-23 | ../uploads/cif-deposit/cod/cif Adding structures of 4324088 via cif-deposit CGI script. |
4324088.cif |
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Users of the data should acknowledge the original authors of the
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