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Information card for entry 4309020
Preview
Coordinates | 4309020.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H80 Cl2 F8 N8 O10 Si |
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Calculated formula | C36 H80 Cl2 F8 N8 O10 Si |
SMILES | N12CC[NH2+]Cc3ccc(cc3)C[NH2+]CCN(CC[NH2+]Cc3ccc(cc3)C[NH2+]CC1)CC[NH2+]Cc1ccc(C[NH2+]CC2)cc1.[Cl-].[Cl-].[Si](F)(F)(F)(F)([F-])[F-].[F-].[F-].O.O.O.O.O.O.O.O.O.O |
Title of publication | Tritopic (Cascade) and Ditopic Complexes of Halides with an Azacryptand |
Authors of publication | Md. Alamgir Hossain; Paula Morehouse; Douglas Powell; Kristin Bowman-James |
Journal of publication | Inorganic Chemistry |
Year of publication | 2005 |
Journal volume | 44 |
Pages of publication | 2143 - 2149 |
a | 10.2614 ± 0.0008 Å |
b | 14.6708 ± 0.0011 Å |
c | 17.2858 ± 0.0013 Å |
α | 81.842 ± 0.002° |
β | 84.129 ± 0.002° |
γ | 76.707 ± 0.002° |
Cell volume | 2500.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0724 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.115 |
Weighted residual factors for all reflections included in the refinement | 0.1284 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
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/4309020.html
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Users of the data should acknowledge the original authors of the
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