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Information card for entry 4312232
Preview
Coordinates | 4312232.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (iPr4Xan)Ti2Cp2Cl2 |
---|---|
Formula | C39 H50 Cl2 N4 O Ti2 |
Calculated formula | C39 H50 Cl2 N4 O Ti2 |
SMILES | [Ti]1234567([Cl][Ti]89%10%11%12([Cl]1)([N](=C(N%10C(C)C)c1c%10Oc%13c(C(=[N]2C(C)C)N3C(C)C)cccc%13C(C)(C)c%10ccc1)C(C)C)[cH]1[cH]8[cH]9[cH]%11[cH]%121)[cH]1[cH]6[cH]7[cH]4[cH]51 |
Title of publication | Dititanium Complexes of Preorganized Binucleating Bis(amidinates) |
Authors of publication | Michael J. McNevin; John R. Hagadorn |
Journal of publication | Inorganic Chemistry |
Year of publication | 2004 |
Journal volume | 43 |
Pages of publication | 8547 - 8554 |
a | 10.9048 ± 0.0003 Å |
b | 24.8225 ± 0.0006 Å |
c | 13.9014 ± 0.0003 Å |
α | 90° |
β | 92.788 ± 0.001° |
γ | 90° |
Cell volume | 3758.44 ± 0.16 Å3 |
Cell temperature | 141 ± 2 K |
Ambient diffraction temperature | 141 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0591 |
Residual factor for significantly intense reflections | 0.0403 |
Weighted residual factors for significantly intense reflections | 0.0982 |
Weighted residual factors for all reflections included in the refinement | 0.1054 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179161 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/22. |
4312232.cif |
120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312232.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312232.cif |
3737 | 2010-11-17 | ../uploads/cif-deposit/cod/cif Adding structures of 4312232 via cif-deposit CGI script. |
4312232.cif |
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Users of the data should acknowledge the original authors of the
structural data.