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Information card for entry 7008483
Preview
| Coordinates | 7008483.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H154 Mg2 N11 Ti6 |
|---|---|
| Calculated formula | C81 H119 Mg2 N11 Ti6 |
| SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Ti]162345N2[Ti]34578([c]9([c]3([c]4([c]5([c]79C)C)C)C)C)[NH]1[Mg]134([NH](c5ccc(cc5)C)[Mg]57([NH]1c1ccc(cc1)C)([NH]3c1ccc(cc1)C)[NH]1[Ti]39%10%11%12([c]%13([c]3([c]9([c]%10([c]%11%13C)C)C)C)C)N3[Ti]9%10%11%131([c]1([c]%13([c]%11([c]%10([c]91C)C)C)C)C)[NH]7[Ti]179%103([c]3([c]%10([c]9([c]7([c]13C)C)C)C)C)[NH]5%12)[NH]6[Ti]13562([c]2([c]6([c]5([c]3([c]12C)C)C)C)C)N84)C)C)C)C |
| Title of publication | Amido-bridged double-cube nitrido complexes containing titanium and magnesium/calcium. |
| Authors of publication | Martín, Avelino; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2005 |
| Journal issue | 12 |
| Pages of publication | 2116 - 2119 |
| a | 42.934 ± 0.008 Å |
| b | 20.209 ± 0.004 Å |
| c | 28.592 ± 0.006 Å |
| α | 90° |
| β | 127.482 ± 0.013° |
| γ | 90° |
| Cell volume | 19686 ± 8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1354 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1685 |
| Weighted residual factors for all reflections included in the refinement | 0.1877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179788 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/84. |
7008483.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008483.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008483.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7008483.cif |
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