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Information card for entry 4312250
Preview
| Coordinates | 4312250.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cadmium nitrate-copper(II) pyridylacetylacetonate (2:3) methanol solvate hydrate |
|---|---|
| Formula | C63 H76 Cd2 Cu3 N10 O29 |
| Calculated formula | C63 H60 Cd2 Cu3 N10 O29 |
| Title of publication | Porous Cu-Cd Mixed-Metal-Organic Frameworks Constructed from Cu(Pyac)2{Bis[3-(4-pyridyl)pentane-2,4-dionato]copper(II)} |
| Authors of publication | Banglin Chen; Frank R. Fronczek; Andrew W. Maverick |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 8209 - 8211 |
| a | 13.817 ± 0.002 Å |
| b | 15.205 ± 0.002 Å |
| c | 17.044 ± 0.002 Å |
| α | 111.732 ± 0.006° |
| β | 111.661 ± 0.005° |
| γ | 94.909 ± 0.006° |
| Cell volume | 2987.2 ± 0.7 Å3 |
| Cell temperature | 230 ± 2 K |
| Ambient diffraction temperature | 230 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0699 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1481 |
| Weighted residual factors for all reflections included in the refinement | 0.1608 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179161 (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 4/31/22. |
4312250.cif |
| 171653 | 2015-12-20 | cod/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries in ranges 1, 2, 4. |
4312250.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312250.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312250.cif |
| 3755 | 2010-11-17 | ../uploads/cif-deposit/cod/cif Adding structures of 4312250 via cif-deposit CGI script. |
4312250.cif |
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