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Information card for entry 7046618
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7046618.cif |
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Original paper (by DOI) | HTML |
Formula | C58 H80 Cl2 N2 O4 Ti |
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Calculated formula | C56 H77 Cl2 N O4 Ti |
Title of publication | Synthesis, crystal structure, and cytotoxicity studies of titanacalix[4 and 8]arene complexes. |
Authors of publication | Miller-Shakesby, David M; Nigam, Shubhanchi; Hughes, David L.; Lopez-Estelles, Enrique; Elsegood, Mark R. J.; Cawthorne, Christopher J.; Archibald, Stephen J.; Redshaw, Carl |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 27 |
Pages of publication | 8992 - 8999 |
a | 17.2312 ± 0.0016 Å |
b | 12.162 ± 0.0008 Å |
c | 27.103 ± 0.002 Å |
α | 90° |
β | 101.229 ± 0.009° |
γ | 90° |
Cell volume | 5571.1 ± 0.8 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 6 |
Space group number | 5 |
Hermann-Mauguin space group symbol | A 1 2 1 |
Hall space group symbol | A 2y |
Residual factor for all reflections | 0.1299 |
Residual factor for significantly intense reflections | 0.0667 |
Weighted residual factors for significantly intense reflections | 0.1271 |
Weighted residual factors for all reflections included in the refinement | 0.1441 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.816 |
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/7046618.html
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