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Information card for entry 4337003
Preview
| Coordinates | 4337003.cif |
|---|---|
| Structure factors | 4337003.hkl |
| Original paper (by DOI) | HTML |
| Formula | C84 H126 Cl N2 Ti |
|---|---|
| Calculated formula | C84 H126 Cl N2 Ti |
| Title of publication | Synthesis and Characterization of the Titanium Bisamide Ti{N(H)AriPr6}2 (AriPr6= C6H3-2,6-(C6H2-2,4,6-iPr3)2 and Its TiCl{N(H)AriPr6}2 Precursor: Ti(II) →Ti(IV) Cyclization |
| Authors of publication | Jessica N. Boynton; Jing-Dong Guo; Fernande Grandjean; James C. Fettinger; Shigeru Nagase; Gary J. Long; Philip P. Power |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 14216 - 14223 |
| a | 14.73 ± 0.0005 Å |
| b | 15.2643 ± 0.0005 Å |
| c | 19.6629 ± 0.0006 Å |
| α | 87.7219 ± 0.0005° |
| β | 72.4363 ± 0.0004° |
| γ | 65.1037 ± 0.0004° |
| Cell volume | 3803.7 ± 0.2 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.0644 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1234 |
| Weighted residual factors for all reflections included in the refinement | 0.1347 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181932 (current) | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/33. |
4337003.cif 4337003.hkl |
| 180708 | 2016-04-02 | hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4337003.cif 4337003.hkl |
| 180700 | 2016-04-02 | cod/ (antanas@echidna.ibt.lt) Setting the 'svn:keywords' property for all '*.hkl' files that were previously unaffected by this property. |
4337003.cif 4337003.hkl |
| 179473 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/70. |
4337003.cif 4337003.hkl |
| 103164 | 2014-02-25 | hkl/4 Adding Fobs files for entries coming from J. Org. Chem. and Inorg. Chem. 2013 |
4337003.cif 4337003.hkl |
| 103069 | 2014-02-25 | cif/ Adding structures of 4337003 via cif-deposit CGI script. |
4337003.cif |
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Users of the data should acknowledge the original authors of the
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