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Information card for entry 1501787
Preview
Coordinates | 1501787.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H20 Cl2 N2 Ti |
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Calculated formula | C14 H20 Cl2 N2 Ti |
SMILES | [Ti]12345(Cl)(Cl)([n]6n1c(cc6C)C)[c]1([cH]2[cH]3[cH]4[cH]51)C(C)(C)C |
Title of publication | Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems |
Authors of publication | Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan |
Journal of publication | Macromolecules |
Year of publication | 2011 |
Journal volume | 44 |
Journal issue | 7 |
Pages of publication | 1986 |
a | 6.6559 ± 0.0004 Å |
b | 10.1468 ± 0.0005 Å |
c | 11.8754 ± 0.0006 Å |
α | 88.737 ± 0.0015° |
β | 83.429 ± 0.0016° |
γ | 79.4303 ± 0.0015° |
Cell volume | 783.23 ± 0.07 Å3 |
Cell temperature | 123.1 K |
Ambient diffraction temperature | 123.1 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 significantly intense reflections | 0.0247 |
Weighted residual factors for all reflections included in the refinement | 0.0701 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1501787.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501787.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501787.cif |
35140 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501784, 1501785, 1501786, 1501787, 1501788 via cif-deposit CGI script. |
1501787.cif |
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Users of the data should acknowledge the original authors of the
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