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Information card for entry 4076420
Preview
| Coordinates | 4076420.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102 H140 N12 Nb2 |
|---|---|
| Calculated formula | C102 H140 N12 Nb2 |
| SMILES | [Nb]12(=NC(C)(C)C)(N(C(=[N]1c1ccc(cc1)N1[Nb]3(=NC(C)(C)C)([N](=C1NC(C)C)C(C)C)(N(c1c(cccc1C)C)/C=C/c1ccccc1)[N](=C3Cc1ccccc1)c1c(cccc1C)C)NC(C)C)C(C)C)(N(c1c(cccc1C)C)/C=C/c1ccccc1)[N](=C2Cc1ccccc1)c1c(cccc1C)C.CCCCC.CCCCC |
| Title of publication | New Alkylimido Niobium Complexes Supported by Guanidinate Ligands: Synthesis, Characterization, and Migratory Insertion Reactions |
| Authors of publication | Elorriaga, David; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; López-Solera, Isabel; Menot, Bérengère; Fernández-Galán, Rafael; Villaseñor, Elena; Otero, Antonio |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 5 |
| Pages of publication | 1840 |
| a | 13.083 ± 0.007 Å |
| b | 22.92 ± 0.012 Å |
| c | 33.053 ± 0.017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9911 ± 9 Å3 |
| Cell temperature | 230 ± 2 K |
| Ambient diffraction temperature | 230 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.2854 |
| Residual factor for significantly intense reflections | 0.0956 |
| Weighted residual factors for significantly intense reflections | 0.1639 |
| Weighted residual factors for all reflections included in the refinement | 0.2287 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178653 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/64. |
4076420.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4076420.cif |
| 51954 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4076417, 4076418, 4076419, 4076420 via cif-deposit CGI script. |
4076420.cif |
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