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Information card for entry 4072499
Preview
| Coordinates | 4072499.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Moris-100 (Florina) |
|---|---|
| Formula | C31 H54 N2 O6 Ti |
| Calculated formula | C31 H54 N2 O6 Ti |
| SMILES | [Ti]12(OC(=CC(=[O]1)C(C)(C)C)N(CC)CC)([O]=C(C=C(O2)N(CC)CC)C(C)(C)C)(OC)OC.c1(ccccc1)C |
| Title of publication | Titanium and Zirconium Complexes for Polymerization of Propylene and Cyclic Esters |
| Authors of publication | Gornshtein, Florina; Kapon, Moshe; Botoshansky, Mark; Eisen, Moris S. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 3 |
| Pages of publication | 497 |
| a | 9.603 ± 0.002 Å |
| b | 9.672 ± 0.002 Å |
| c | 19.325 ± 0.004 Å |
| α | 92.6 ± 0.02° |
| β | 100.11 ± 0.03° |
| γ | 90.25 ± 0.02° |
| Cell volume | 1765.1 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.2005 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1119 |
| Weighted residual factors for all reflections included in the refinement | 0.1383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.726 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4072499.cif |
| 178613 | 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 4/07/24. |
4072499.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072499.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072499.cif |
| 45848 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072499 via cif-deposit CGI script. |
4072499.cif |
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Users of the data should acknowledge the original authors of the
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