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Information card for entry 7031049
Preview
| Coordinates | 7031049.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66.5 H66.5 Ag2 Cl1.5 F12 N12 P2 |
|---|---|
| Calculated formula | C60 H56 Ag2 F12 N12 P2 |
| Title of publication | Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids? |
| Authors of publication | Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 28 |
| Pages of publication | 11027 - 11038 |
| a | 17.7686 ± 0.0001 Å |
| b | 16.8498 ± 0.0002 Å |
| c | 23.2107 ± 0.0002 Å |
| α | 90° |
| β | 90.2002 ± 0.0006° |
| γ | 90° |
| Cell volume | 6949.18 ± 0.11 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0728 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1511 |
| Weighted residual factors for all reflections included in the refinement | 0.1623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7031049.cif |
| 119469 | 2014-07-07 | cif/ Updating files of 7031040, 7031041, 7031042, 7031043, 7031044, 7031045, 7031046, 7031047, 7031048, 7031049, 7031050, 7031051 Original log message: Adding full bibliography for 7031040--7031051.cif. |
7031049.cif |
| 114588 | 2014-05-28 | cif/ Adding structures of 7031040, 7031041, 7031042, 7031043, 7031044, 7031045, 7031046, 7031047, 7031048, 7031049, 7031050, 7031051 via cif-deposit CGI script. |
7031049.cif |
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Users of the data should acknowledge the original authors of the
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