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Information card for entry 4309778
Preview
| Coordinates | 4309778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound jm1_3 |
|---|---|
| Formula | C13 H25 Cl F3 N4 O3.3 S Zn |
| Calculated formula | C13 H25 Cl F3 N4 O3.3 S Zn |
| Title of publication | Role of Anions on the Crystal Structures of Copper(II) and Zinc(II) Complexes of a Tunable Butterfly Cyclophane Macrocycle |
| Authors of publication | Martin Chadim; Pilar Díaz; Enrique García-España; Jana Hodačová; Julio Latorre; Malva Liu-González; Santiago V. Luis; José M. Llinares; Jiří Závada |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 7503 - 7510 |
| a | 8.472 ± 0.005 Å |
| b | 9.31 ± 0.005 Å |
| c | 13.745 ± 0.005 Å |
| α | 84.262 ± 0.005° |
| β | 77.49 ± 0.005° |
| γ | 73.558 ± 0.005° |
| Cell volume | 1014.2 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2171 |
| Residual factor for significantly intense reflections | 0.0858 |
| Weighted residual factors for all reflections | 99.99 |
| Weighted residual factors for significantly intense reflections | 0.2014 |
| Weighted residual factors for all reflections included in the refinement | 0.2783 |
| Goodness-of-fit parameter for all reflections | 32.865 |
| Goodness-of-fit parameter for significantly intense reflections | 35.529 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179135 (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 4/30/97. |
4309778.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309778.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309778.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). |
4309778.cif |
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Users of the data should acknowledge the original authors of the
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