Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7015890
Preview
| Coordinates | 7015890.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C117 H153 In9 N36 O54 |
|---|---|
| Calculated formula | C117 H135 In9 N27 O27 |
| Title of publication | Entropically driven self-assembly of a strained hexanuclear indium metal-organic macrocycle and its behavior in solution. |
| Authors of publication | Oh, Minhak; Liu, Xinfang; Park, Mira; Kim, Dongwook; Moon, Dohyun; Lah, Myoung Soo |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 21 |
| Pages of publication | 5720 - 5727 |
| a | 29.234 ± 0.004 Å |
| b | 29.234 ± 0.004 Å |
| c | 39.139 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 33449 ± 9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 116 |
| Hermann-Mauguin space group symbol | P -4 c 2 |
| Hall space group symbol | P -4 -2c |
| Residual factor for all reflections | 0.1263 |
| Residual factor for significantly intense reflections | 0.0984 |
| Weighted residual factors for significantly intense reflections | 0.2833 |
| Weighted residual factors for all reflections included in the refinement | 0.303 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.75 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
7015890.cif |
| 179862 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/58. |
7015890.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015890.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015890.cif |
| 21375 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7015889, 7015890 via cif-deposit CGI script. |
7015890.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.