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Information card for entry 7110148 7110147 << 7110148 >> 7110149
Structure parameters
| Formula | C82 H152 F8 Ga7 N O32 Zn |
| Calculated formula | C82 H152 F8 Ga7.04 N O32 Zn1.04 |
| Title of publication | Coherent electron spin manipulation in a dilute oriented ensemble of molecular nanomagnets: pulsed EPR on doped single crystals |
| Authors of publication | Fabrizio Moro; Danielle Kaminski; Floriana Tuna; George F. S. Whitehead; Grigore A. Timco; David Collison; Richard E. P. Winpenny; Arzhang Ardavan; Eric J. L. McInnes |
| Journal of publication | Chem.Commun. |
| Year of publication | 2013 |
| Journal volume | 50 |
| Pages of publication | 91 |
| a | 19.8454 ± 0.0005 Å |
| b | 19.8454 ± 0.0005 Å |
| c | 15.8931 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6259.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 79 |
| Hermann-Mauguin space group symbol | I 4 |
| Hall space group symbol | I 4 |
| Residual factor for all reflections | 0.1032 |
| Residual factor for significantly intense reflections | 0.0995 |
| Weighted residual factors for significantly intense reflections | 0.2611 |
| Weighted residual factors for all reflections included in the refinement | 0.2638 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
| Revision | Date | Message | Files |
| 296814 (current) | 2024-12-10 | Changed data name '_diffrn_reflns_point_group_measured_fraction_ful' to'_diffrn_reflns_point_group_measured_fraction_full' in multiple entries. | 7110148.cif |
| 180215 | 2016-03-26 | cif/7/11/ (antanas@kurmis)Replacing _[local]_cod_* tags with their equivalents from the COD CIFdictionary in multiple entries in subrange 7/11/01. | 7110148.cif |
| 106525 | 2014-03-15 | cif/ ([email protected])Adding DOIs to those Chem. Comm. structure descriptions that did nothave it before and that could be matched unambiguously. Unambiguouslymeans: a) journal name is "like 'Chem%Com%'" in SQl parlour b) firstauthor's last name is the same in COD and in PubMed b) publication yearand first page are the same in COD and in PubMed database.The commands to change these files where:awk '{print $1, $2}' outputs/join-dois.tab \| xargs -i sh -c ' CODID=$(echo {} | awk "{print \$1}"); DOI=$(echo {} | awk "{print \$2}"); CODFILE=$(echo $CODID | codid2file); if ! grep -q _journal_paper_doi $CODFILE; then ( set -x; echo _journal_paper_doi $DOI >> $CODFILE ); else echo $CODID already has DOI; fi'Some files that did not had new-line at the end had to be fixedafterwards (in the ~/struct/cod/cif/7 directory, a COD working copy):svn st \| awk '{print $2}' \| xargs cifparse -q 2> /dev/null \| awk -F"'" '{print $2}' \| xargs perl -i -pe 's/_journal_paper_doi/\n_journal_paper_doi/'The working copy containing 'outputs/join-dois.tab' was:Path: /home/saulius/struct/xyz-extraction/dois/chem-comm-refetched-from-pubmedURL: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction/dois/chem-comm-refetched-from-pubmedRepository Root:svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extractionRepository UUID: 9acf3947-1f02-0410-ae2a-984b57ad209bRevision: 2871Node Kind: directorySchedule: normalLast Changed Author: sauliusLast Changed Rev: 2871Last Changed Date: 2014-03-15 11:18:46 +0200 (Sat, 15 Mar 2014)Three conflicts in files 10/81/7108128.cif, 10/81/7108130.cif and10/99/7109903.cif were resolved manually. | 7110148.cif |
| 91943 | 2013-12-30 | cif/Adding structures of7110147, 7110148via cif-deposit CGI script. | 7110148.cif |
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