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Information card for entry 7020705
Preview
| Coordinates | 7020705.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H23 B Fe Zr |
|---|---|
| Calculated formula | C20 H23 B Fe Zr |
| SMILES | [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)[BH]1[H][ZrH]2349%10%11%12%13([H]1)([cH]1[cH]3[cH]4[cH]9[cH]%101)[cH]1[cH]2[cH]%13[cH]%12[cH]%111)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | Ferrocenyl(trihydro)borates: building blocks for the synthesis of heterooligonuclear metallocene complexes. |
| Authors of publication | Reichert, Adelina; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 3 |
| Pages of publication | 688 - 694 |
| a | 7.8828 ± 0.0005 Å |
| b | 12.3274 ± 0.0008 Å |
| c | 17.704 ± 0.0012 Å |
| α | 90° |
| β | 95.903 ± 0.006° |
| γ | 90° |
| Cell volume | 1711.25 ± 0.19 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0775 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.077 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.885 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179912 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/07. |
7020705.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7020705.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020705.cif |
| 73645 | 2013-02-20 | cif/ Adding structures of 7020704, 7020705, 7020706, 7020707, 7020708, 7020709 via cif-deposit CGI script. |
7020705.cif |
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Users of the data should acknowledge the original authors of the
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