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Information card for entry 4069562
Preview
Coordinates | 4069562.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H84 N2 Ti2 |
---|---|
Calculated formula | C68 H84 N2 Ti2 |
SMILES | [Ti]12345678([N]#[N][Ti]9%10%11%12%13%14%15%16([c]%17([c]%12([c]%11([c]%10([c]9%17C)C)C)C)c9cc(cc(c9)C)C)[c]9([c]%13([c]%14([c]%15([c]%169C)C)C)C)c9cc(cc(c9)C)C)([c]9([c]1([c]2([c]3([c]49C)C)C)C)c1cc(cc(c1)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)c1cc(cc(c1)C)C |
Title of publication | Dinitrogen Complexes of Bis(cyclopentadienyl) Titanium Derivatives: Structural Diversity Arising from Substituent Manipulation |
Authors of publication | Hanna, Tamara E.; Lobkovsky, Emil; Chirik, Paul J. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 14 |
Pages of publication | 4079 |
a | 12.5083 ± 0.0009 Å |
b | 14.8746 ± 0.001 Å |
c | 20.1396 ± 0.0013 Å |
α | 88.131 ± 0.004° |
β | 74.656 ± 0.003° |
γ | 65.835 ± 0.004° |
Cell volume | 3284.6 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0572 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.1075 |
Weighted residual factors for all reflections included in the refinement | 0.112 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4069562.html
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Users of the data should acknowledge the original authors of the
structural data.