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Information card for entry 4089463
Preview
Coordinates | 4089463.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C59 H64 Cl4 N8 O2 Ti |
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Calculated formula | C59 H64 Cl4 N8 O2 Ti |
SMILES | C(Cl)Cl.C1(N=C2N(C=CN2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)=[N](c2ccc(cc2)C)[Ti]2(OC(N=C3N(C=CN3c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)=[N]2c2ccc(cc2)C)(Cl)(Cl)O1 |
Title of publication | Coordination and Reactivity Study of Group 4 and 10 Transition Metal Complexes ofN-Imidazol-2-ylidene-N′-p-tolylureate and Thioureate Ligands |
Authors of publication | Harkness, Michael B.; Alvarado, Edwin; Badaj, Anna C.; Skrela, Barbara C.; Fan, Louie; Lavoie, Gino G. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 11 |
Pages of publication | 3309 |
a | 15.8799 ± 0.0002 Å |
b | 14.5184 ± 0.0003 Å |
c | 25.949 ± 0.0006 Å |
α | 90° |
β | 102.035 ± 0.001° |
γ | 90° |
Cell volume | 5851.1 ± 0.2 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1342 |
Residual factor for significantly intense reflections | 0.0548 |
Weighted residual factors for significantly intense reflections | 0.1208 |
Weighted residual factors for all reflections included in the refinement | 0.1546 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/4089463.html
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Users of the data should acknowledge the original authors of the
structural data.