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Information card for entry 4511734
Preview
| Coordinates | 4511734.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cu,Mn-2-mercaptonicotinic acid |
|---|---|
| Formula | C36 H54 Cu6 Mn3 N6 O30 S6 |
| Calculated formula | C36 H54 Cu6 Mn3 N6 O30 S6 |
| Title of publication | Stepwise Crystallization: Illustrative Examples of the Use of Metalloligands [Cu6(mna)6]6‒and [Ag6(Hmna)2(mna)4]4‒(H2mna= 2-Mercapto Nicotinic Acid) in the Formation of Heterometallic Two- and Three-Dimensional Assemblies withbrucite,pcu, andsqlTopologies |
| Authors of publication | Kundu, Tanaya; Jana, Ajay Kumar; Natarajan, Srinivasan |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 9 |
| Pages of publication | 4531 |
| a | 12.4305 ± 0.0004 Å |
| b | 12.4305 ± 0.0004 Å |
| c | 33.8994 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4536.3 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0495 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0662 |
| Weighted residual factors for all reflections included in the refinement | 0.0713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179664 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/17. |
4511734.cif |
| 122863 | 2014-09-06 | cif/ Updating files of 4511733, 4511734, 4511735, 4511736 Original log message: Adding full bibliography for 4511733--4511736.cif. |
4511734.cif |
| 121003 | 2014-08-01 | cif/ Adding structures of 4511733, 4511734, 4511735, 4511736 via cif-deposit CGI script. |
4511734.cif |
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Users of the data should acknowledge the original authors of the
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