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Information card for entry 4309777
Preview
| Coordinates | 4309777.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound jhs4cu |
|---|---|
| Formula | C24 H58 Cl4 Cu2 N8 O14 |
| Calculated formula | C21.3333 H40.8889 Cl3.55556 Cu1.77778 N7.11111 O12.4444 |
| 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 | 9.938 ± 0.0002 Å |
| b | 30.247 ± 0.0006 Å |
| c | 53.143 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 15974.5 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F 2 d d |
| Hall space group symbol | F -2d 2 |
| Residual factor for all reflections | 0.1668 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.129 |
| Weighted residual factors for all reflections included in the refinement | 0.1624 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.777 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4309777.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309777.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309777.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). |
4309777.cif |
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Users of the data should acknowledge the original authors of the
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