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Information card for entry 4332756
Preview
Coordinates | 4332756.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H56 N6 O2 Ti |
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Calculated formula | C38 H56 N6 O2 Ti |
SMILES | [Ti]1234([N](c5c(cccc5C)C)=C(N1[C@H](CO3)C(C)C)N(C)C)[N](c1c(cccc1C)C)=C(N2[C@H](CO4)C(C)C)N(C)C.c1ccccc1 |
Title of publication | 2-Aminopyrrolines: New Chiral Amidinate Ligands with a Rigid Well-Defined Molecular Structure and Their Coordination to TiIV |
Authors of publication | Ward, Benjamin D.; Risler, Hélène; Weitershaus, Katharina; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H. |
Journal of publication | Inorganic Chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 19 |
Pages of publication | 7777 - 7787 |
a | 11.8179 ± 0.0008 Å |
b | 12.6276 ± 0.0009 Å |
c | 12.8169 ± 0.0009 Å |
α | 90° |
β | 98.651 ± 0.002° |
γ | 90° |
Cell volume | 1890.9 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.064 |
Residual factor for significantly intense reflections | 0.0471 |
Weighted residual factors for all reflections | 0.1129 |
Weighted residual factors for significantly intense reflections | 0.1012 |
Weighted residual factors for all reflections included in the refinement | 0.1129 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9849 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4332756.html
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