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Information card for entry 2239608
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| Coordinates | 2239608.cif |
|---|---|
| Structure factors | 2239608.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{μ-[(diphenylphosphoryl)methyl](phenyl)bis(1<i>H</i>-pyrazol-1-yl)boranuido}dilithium |
|---|---|
| Formula | C50 H46 B2 Li2 N8 O2 P2 |
| Calculated formula | C50 H46 B2 Li2 N8 O2 P2 |
| SMILES | [Li]123[O](=P(CB(n4[n]1ccc4)(n1[n]2ccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Li]12[O]3=P(CB(n3[n]1ccc3)(n1[n]2ccc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Bis{μ-[(diphenylphosphoryl)methyl](phenyl)bis(1<i>H</i>-pyrazol-1-yl)boranuido}dilithium |
| Authors of publication | Müller, Manuela; Lerner, Hans-Wolfram; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | m237 |
| a | 10.0585 ± 0.0006 Å |
| b | 16.2371 ± 0.0008 Å |
| c | 14.4301 ± 0.0008 Å |
| α | 90° |
| β | 98.854 ± 0.005° |
| γ | 90° |
| Cell volume | 2328.7 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0523 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.1008 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239608.cif 2239608.hkl |
| 181315 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/96. |
2239608.cif 2239608.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239608.cif 2239608.hkl |
| 115025 | 2014-06-02 | cif/ hkl/ Adding structures of 2239608 via cif-deposit CGI script. |
2239608.cif 2239608.hkl |
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