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Information card for entry 4082403
Preview
Coordinates | 4082403.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Me2NC(NC(C6F5)NOtBu)H |
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Formula | C14 H16 F5 N3 O |
Calculated formula | C14 H16 F5 N3 O |
SMILES | Fc1c(C(/N=C/N(C)C)=NOC(C)(C)C)c(F)c(F)c(F)c1F |
Title of publication | Reactions of a Cyclopentadienyl‒Amidinate Titanium Benzimidamido Complex |
Authors of publication | Groom, Laura R.; Russell, Adam F.; Schwarz, Andrew D.; Mountford, Philip |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 4 |
Pages of publication | 1002 |
a | 8.3723 ± 0.0002 Å |
b | 8.6069 ± 0.0002 Å |
c | 12.1306 ± 0.0002 Å |
α | 98.3332 ± 0.0011° |
β | 110.068 ± 0.0012° |
γ | 102.258 ± 0.0009° |
Cell volume | 779.42 ± 0.03 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 all reflections | 0.049 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for all reflections | 0.0454 |
Weighted residual factors for significantly intense reflections | 0.0381 |
Weighted residual factors for all reflections included in the refinement | 0.0367 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1145 |
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/4082403.html
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Users of the data should acknowledge the original authors of the
structural data.