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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 |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179128 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/90. |
4309020.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309020.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309020.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309020.cif |
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Users of the data should acknowledge the original authors of the
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