Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7113524
Preview
| Coordinates | 7113524.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H194 N10 Ni8 O68 |
|---|---|
| Calculated formula | C76 H110 N10 Ni8 O68 |
| Title of publication | Increasing the crystallisation temperature to access new spin clusters: conversion of [Ni8(cit)6(OH)2(H2O)2]10- to [Ni8(cit)6(OH)2]10- |
| Authors of publication | Murrie, Mark; Biner, Daniel; Stoeckli-Evans, Helen; Güdel, Hans U. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 2 |
| Pages of publication | 230 - 231 |
| a | 13.9785 ± 0.001 Å |
| b | 19.1426 ± 0.0014 Å |
| c | 24.657 ± 0.0019 Å |
| α | 79.703 ± 0.009° |
| β | 87.441 ± 0.009° |
| γ | 70.468 ± 0.008° |
| Cell volume | 6117.2 ± 0.9 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.1295 |
| Residual factor for significantly intense reflections | 0.0642 |
| Weighted residual factors for significantly intense reflections | 0.1513 |
| Weighted residual factors for all reflections included in the refinement | 0.1708 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.831 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7103932 |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210517 (current) | 2018-09-07 | cif/7/ Updating bibliography in entries 7103931-7103932, 7113523-7113524. Marking entries 7113523-7113524 as duplicates of entries 7103931-7103932. |
7113524.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7113524.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7113524.cif |
| 115110 | 2014-06-02 | cif/ Adding structures of 7113523, 7113524 via cif-deposit CGI script. |
7113524.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.