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Information card for entry 2240043
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| Coordinates | 2240043.cif |
|---|---|
| Structure factors | 2240043.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-fluorido-bis{tris[(6-methylpyridin-2-yl)methyl)amine}dicobalt(II) bis(tetrafluoridoborate) |
|---|---|
| Formula | C42 H48 B2 Co2 F10 N8 |
| Calculated formula | C42 H48 B2 Co2 F10 N8 |
| SMILES | [B](F)(F)(F)[F-].C1[N]23Cc4cccc([n]4[Co]43([n]3c(C2)cccc3C)([F][Co]235([F]4)[n]4c(C[N]3(Cc3cccc(C)[n]53)Cc3[n]2c(ccc3)C)cccc4C)[n]2c(C)cccc12)C.[B](F)(F)(F)[F-] |
| Title of publication | Crystal structure of a dinuclear Co^II^ complex with bridging fluoride ligands: di-μ-fluorido-bis{tris[(6-methylpyridin-2-yl)methyl]amine}dicobalt(II) bis(tetrafluoridoborate) |
| Authors of publication | Inomata, Masataka; Suenaga, Yusaku |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | m359 - m360 |
| a | 8.7884 ± 0.0017 Å |
| b | 11.334 ± 0.004 Å |
| c | 11.897 ± 0.002 Å |
| α | 64.91 ± 0.05° |
| β | 82.04 ± 0.06° |
| γ | 87.98 ± 0.07° |
| Cell volume | 1062.5 ± 0.7 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0703 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1398 |
| Weighted residual factors for all reflections included in the refinement | 0.1569 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181900 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240043.cif 2240043.hkl |
| 181320 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/00. |
2240043.cif 2240043.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240043.cif 2240043.hkl |
| 124569 | 2014-10-05 | cif/ hkl/ Adding structures of 2240043 via cif-deposit CGI script. |
2240043.cif 2240043.hkl |
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Users of the data should acknowledge the original authors of the
structural data.