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Information card for entry 4110064
Preview
| Coordinates | 4110064.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | cmpd_9a |
|---|---|
| Formula | C36 H65 Br Hf2 N6 |
| Calculated formula | C36 H65 Br Hf2 N6 |
| SMILES | [Hf]1234567([Br][Hf]89%10%11%12%13(N2[N]18CC)(N(C(=[N]9C(C)C)C)C(C)C)[cH]1[c]%11([c]%12([c]%13([c]%101C)C)C)C)(N(=C([N]3C(C)C)C)C(C)C)[cH]1[c]5([c]6([c]7([c]41C)C)C)C |
| Title of publication | Extreme N\τbN Bond Elongation and Facile N-Atom Functionalization Reactions within Two Structurally Versatile New Families of Group 4 Bimetallic "Side-on-Bridged" Dinitrogen Complexes for Zirconium and Hafnium |
| Authors of publication | Masakazu Hirotsu; Philip P. Fontaine; Peter Y. Zavalij; Lawrence R. Sita |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 12690 - 12692 |
| a | 10.1039 ± 0.0006 Å |
| b | 12.1053 ± 0.0007 Å |
| c | 16.7525 ± 0.001 Å |
| α | 108.998 ± 0.001° |
| β | 92.159 ± 0.001° |
| γ | 90.871 ± 0.001° |
| Cell volume | 1935.2 ± 0.2 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0346 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.0566 |
| Weighted residual factors for all reflections included in the refinement | 0.0595 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178871 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/00. |
4110064.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' |
4110064.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110064.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110064.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110064.cif |
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Users of the data should acknowledge the original authors of the
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