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Information card for entry 4333580
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| Coordinates | 4333580.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(μ~3~-hydroxido)-bis(1-Carboxy-3,5,7- adamantanetricarboxylato)-1,3-bi(1,2,4-triazol-4-yl)adamantane diaquatetracopper(II) Trihydrate |
|---|---|
| Formula | C56 H74 Cu4 N12 O23 |
| Calculated formula | C56 H74 Cu4 N12 O23 |
| Title of publication | Functionalized Adamantane Tectons Used in the Design of Mixed-Ligand Copper(II) 1,2,4-Triazolyl/Carboxylate Metal-Organic Frameworks |
| Authors of publication | Ganna A. Senchyk; Andrey B. Lysenko; Harald Krautscheid; Eduard B. Rusanov; Alexander N. Chernega; Karl W. Krämer; Shi-Xia Liu; Silvio Decurtins; Konstantin V. Domasevitch |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 863 - 872 |
| a | 11.3853 ± 0.0004 Å |
| b | 12.0558 ± 0.0004 Å |
| c | 23.4951 ± 0.0009 Å |
| α | 93.417 ± 0.002° |
| β | 97.951 ± 0.002° |
| γ | 109.364 ± 0.002° |
| Cell volume | 2993.98 ± 0.19 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0876 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.108 |
| Weighted residual factors for all reflections included in the refinement | 0.1197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
4333580.cif |
| 179438 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/35. |
4333580.cif |
| 99375 | 2014-01-31 | cif/ Adding structures of 4333580 via cif-deposit CGI script. |
4333580.cif |
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Users of the data should acknowledge the original authors of the
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