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Information card for entry 4316269
Preview
| Coordinates | 4316269.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | catena-{hemi(hexaaquapotassium)-hemi[(18-crown-6)potassium]- [(μ-mesoxalato-κO,O'':O':O'':O''',O'''':O''''')tricopper- manganese]}.5.25hydrate, with H2 on crystal water and 18-c-6 included for calculation: C15 H31.50 Cu3 K Mn O29.25, M = 964.56, Z = 8, F(000) = 3892, Dx = 2.075 g/cm-3, kmin -20, lmin -19 hmax 19, kmax 15 lmax5 C36 H12 Cu12 Mn4 O72, 12(C2 O), K O3, 12(O1.17), 16.08(O), 3(K) |
|---|---|
| Formula | C60 H12 Cu12 K4 Mn4 O117.12 |
| Calculated formula | C60 H12 Cu12 K4 Mn4 O117.12 |
| Title of publication | Magnetic Ordering in Two Molecule-Based (10,3)-a Nets Prepared from a Copper(II) Trinuclear Secondary Building Unit |
| Authors of publication | Beatriz Gil-Hernández; Pedro Gili; Jana K. Vieth; Christoph Janiak; Joaquín Sanchiz |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 7478 - 7490 |
| a | 18.346 ± 0.002 Å |
| b | 18.346 ± 0.002 Å |
| c | 18.346 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6174.8 ± 1.2 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Residual factor for all reflections | 0.1446 |
| Residual factor for significantly intense reflections | 0.0765 |
| Weighted residual factors for significantly intense reflections | 0.1467 |
| Weighted residual factors for all reflections included in the refinement | 0.1716 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4316269.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316269.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316269.cif |
| 9463 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4316269 via cif-deposit CGI script. |
4316269.cif |
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