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Information card for entry 4316270
Preview
| Coordinates | 4316270.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | catena-{bis(tetraphenylphosphonium)[μ3-chloro-tris-μ3-mesoxalato- -κO:O',O'':O'',O''':O''''-triscuprate(II)-manganate(II)} monohydrate (Ph4P)2[MnCu3(mesox)3Cl].H2o with H2 on crystal water included for calculation: C57 H45 Cl Cu3 Mn O19 P2, M = 1376.88 Z = 4, F(000) = 2792, Dx = 1.605 g/cm-3 |
|---|---|
| Formula | C57 H43 Cl Cu3 Mn O19 P2 |
| Calculated formula | C57 H43 Cl Cu3 Mn O19 P2 |
| 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 | 16.963 ± 0.003 Å |
| b | 18.283 ± 0.003 Å |
| c | 18.373 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5698.1 ± 1.7 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0866 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.1473 |
| Weighted residual factors for all reflections included in the refinement | 0.1643 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179242 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/62. |
4316270.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316270.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316270.cif |
| 9464 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4316270 via cif-deposit CGI script. |
4316270.cif |
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