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Information card for entry 7113523
Preview
| Coordinates | 7113523.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H242 N10 Ni8 O92 |
|---|---|
| Calculated formula | C76 H150 N10 Ni8 O92 |
| 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 | 12.74 ± 0.0009 Å |
| b | 16.1927 ± 0.0011 Å |
| c | 19.6657 ± 0.0014 Å |
| α | 101.97 ± 0.008° |
| β | 98.544 ± 0.009° |
| γ | 111.854 ± 0.008° |
| Cell volume | 3567.8 ± 0.5 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 | 0.0589 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1222 |
| Weighted residual factors for all reflections included in the refinement | 0.1284 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7103931 |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7113523.cif |
| 180249 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/35. |
7113523.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 {}' |
7113523.cif |
| 115110 | 2014-06-02 | cif/ Adding structures of 7113523, 7113524 via cif-deposit CGI script. |
7113523.cif |
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Users of the data should acknowledge the original authors of the
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