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Information card for entry 7016624
Preview
| Coordinates | 7016624.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C132 H108 B8 Cu4 F32 N36 S6 |
|---|---|
| Calculated formula | C132 H108 B3 Cu4 F12 N36 S6 |
| SMILES | [Cu]12345[n]6ccccc6c6[n]1n(cc6)Cc1ccc(Cn6[n]7[Cu]89%10([n]%11ccccc%11c7cc6)[n]6ccccc6c6[n]8n(cc6)Cc6ccc(Cn7[n]8[Cu]%11%12([n]%13ccccc%13c8cc7)([n]7ccccc7c7[n]%11n(cc7)Cc7ccc(Cn8[n]%10c(c%10[n]9cccc%10)cc8)s7)[n]7ccccc7c7[n]%12n(cc7)Cc7ccc(Cn8[n]9[Cu]%10%11([n]%12ccccc%12c9cc8)([n]8ccccc8c8[n]%10n(cc8)Cc8ccc(Cn9[n]3c(c3[n]2cccc3)cc9)s8)[n]2ccccc2c2[n]%11n(cc2)Cc2ccc(Cn3[n]5c(c5[n]4cccc5)cc3)s2)s7)s6)s1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
| Title of publication | Molecular squares, cubes and chains from self-assembly of bis-bidentate bridging ligands with transition metal dications. |
| Authors of publication | Stephenson, Andrew; Ward, Michael D. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 40 |
| Pages of publication | 10360 - 10369 |
| a | 54.137 ± 0.009 Å |
| b | 18.521 ± 0.003 Å |
| c | 43.001 ± 0.012 Å |
| α | 90° |
| β | 125.747 ± 0.002° |
| γ | 90° |
| Cell volume | 34993 ± 13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.181 |
| Residual factor for significantly intense reflections | 0.1071 |
| Weighted residual factors for significantly intense reflections | 0.2885 |
| Weighted residual factors for all reflections included in the refinement | 0.3222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179870 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/66. |
7016624.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016624.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016624.cif |
| 28029 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7016619, 7016620, 7016621, 7016622, 7016623, 7016624, 7016625, 7016626 via cif-deposit CGI script. |
7016624.cif |
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Users of the data should acknowledge the original authors of the
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