Dataset Open Access
Köhler, Luisa;
Patzschke, Michael;
Schmidt, Moritz;
Stumpf, Thorsten;
März, Juliane
{
"owners": [
285
],
"metadata": {
"related_identifiers": [
{
"relation": "isReferencedBy",
"scheme": "url",
"identifier": "https://www.hzdr.de/publications/Publ-33008"
},
{
"relation": "isIdenticalTo",
"scheme": "url",
"identifier": "https://www.hzdr.de/publications/Publ-33353"
},
{
"relation": "isVersionOf",
"scheme": "doi",
"identifier": "10.14278/rodare.1245"
}
],
"doc_id": "1",
"language": "eng",
"title": "Data publication: How 5f electron polarizability drives covalency and selectivity in actinide N-donor complexes",
"access_right": "open",
"resource_type": {
"type": "dataset",
"title": "Dataset"
},
"publication_date": "2021-11-05",
"relations": {
"version": [
{
"parent": {
"pid_type": "recid",
"pid_value": "1245"
},
"last_child": {
"pid_type": "recid",
"pid_value": "1246"
},
"count": 1,
"index": 0,
"is_last": true
}
]
},
"description": "<p>Diese Daten beinhalten die Synthese und Charakterisierung neuartiger Actinid (Th, U, Np, Pu) Komplexe mit pyrrolbasierten Liganden, sowie ebenfalls die Ligandsynthese. Darunter fallen SC-XRD, NMR, IR, UV-VIS und EA Daten. Des weiteren quantenchemische Berechnungen zu den Systemen, sowie der Vergleich zum bereits bekannten Salen System.</p>",
"license": {
"id": "CC-BY-4.0"
},
"pub_id": "33353",
"keywords": [
"actinides",
"N donor ligands",
"bonding analysis",
"f electrons",
"pyrrole"
],
"communities": [
{
"id": "rodare"
}
],
"access_right_category": "success",
"creators": [
{
"orcid": "0000-0003-3013-5590",
"name": "K\u00f6hler, Luisa"
},
{
"orcid": "0000-0003-3125-1278",
"name": "Patzschke, Michael"
},
{
"orcid": "0000-0002-8419-0811",
"name": "Schmidt, Moritz"
},
{
"name": "Stumpf, Thorsten"
},
{
"orcid": "0000-0003-4960-3745",
"name": "M\u00e4rz, Juliane"
}
],
"doi": "10.14278/rodare.1246"
},
"conceptdoi": "10.14278/rodare.1245",
"doi": "10.14278/rodare.1246",
"updated": "2021-11-08T10:25:11.086969+00:00",
"id": 1246,
"created": "2021-11-05T12:34:59.560386+00:00",
"revision": 3,
"stats": {
"volume": 12123979720.0,
"unique_downloads": 1057.0,
"version_unique_downloads": 1057.0,
"unique_views": 636.0,
"downloads": 1215.0,
"version_unique_views": 636.0,
"version_views": 1441.0,
"version_downloads": 1215.0,
"version_volume": 12123979720.0,
"views": 1441.0
},
"conceptrecid": "1245",
"files": [
{
"type": "opju",
"key": "Auswertung IR Pu(pyren)2.opju",
"size": 215210,
"bucket": "dfab0390-cb07-441a-9f2a-88405a83c742",
"checksum": "md5:ed22e15ac7a14555e8be2e513819a562",
"links": {
"self": "https://rodare.hzdr.de/api/files/dfab0390-cb07-441a-9f2a-88405a83c742/Auswertung%20IR%20Pu%28pyren%292.opju"
}
},
{
"type": "png",
"key": "Komplexsynthese pyren allg.png",
"size": 62158,
"bucket": "dfab0390-cb07-441a-9f2a-88405a83c742",
"checksum": "md5:ad81cc36933268e1e23454eae68369fe",
"links": {
"self": "https://rodare.hzdr.de/api/files/dfab0390-cb07-441a-9f2a-88405a83c742/Komplexsynthese%20pyren%20allg.png"
}
},
{
"type": "mnova",
"key": "LK 189 H2Pyren 1H.mnova",
"size": 27638914,
"bucket": "dfab0390-cb07-441a-9f2a-88405a83c742",
"checksum": "md5:7d36066b9e8152fc66170741ed3b1375",
"links": {
"self": "https://rodare.hzdr.de/api/files/dfab0390-cb07-441a-9f2a-88405a83c742/LK%20189%20H2Pyren%201H.mnova"
}
},
{
"type": "mnova",
"key": "LK 216 Th(IV)Pyren.mnova",
"size": 25905189,
"bucket": "dfab0390-cb07-441a-9f2a-88405a83c742",
"checksum": "md5:691438eca1c83ad11821a5d7e80ec54b",
"links": {
"self": "https://rodare.hzdr.de/api/files/dfab0390-cb07-441a-9f2a-88405a83c742/LK%20216%20Th%28IV%29Pyren.mnova"
}
},
{
"type": "mnova",
"key": "LK 225 U(IV)Pyren2 - sauber.mnova",
"size": 45230368,
"bucket": "dfab0390-cb07-441a-9f2a-88405a83c742",
"checksum": "md5:b1dc182fd3d759fe57058893d01d592c",
"links": {
"self": "https://rodare.hzdr.de/api/files/dfab0390-cb07-441a-9f2a-88405a83c742/LK%20225%20U%28IV%29Pyren2%20-%20sauber.mnova"
}
},
{
"type": "opju",
"key": "LK 225 Upyren2.opju",
"size": 157953,
"bucket": "dfab0390-cb07-441a-9f2a-88405a83c742",
"checksum": "md5:13fef9e90881d94ddffabca6f8815d85",
"links": {
"self": "https://rodare.hzdr.de/api/files/dfab0390-cb07-441a-9f2a-88405a83c742/LK%20225%20Upyren2.opju"
}
},
{
"type": "opju",
"key": "LK 226 ThPyren2.opju",
"size": 154153,
"bucket": "dfab0390-cb07-441a-9f2a-88405a83c742",
"checksum": "md5:80cc1a1fdf7ebb9e949844c23aa5e3fa",
"links": {
"self": "https://rodare.hzdr.de/api/files/dfab0390-cb07-441a-9f2a-88405a83c742/LK%20226%20ThPyren2.opju"
}
},
{
"type": "mnova",
"key": "LK 230 Np(pyren)2.mnova",
"size": 37896710,
"bucket": "dfab0390-cb07-441a-9f2a-88405a83c742",
"checksum": "md5:aee511e5cdb98b892f8339904512bde2",
"links": {
"self": "https://rodare.hzdr.de/api/files/dfab0390-cb07-441a-9f2a-88405a83c742/LK%20230%20Np%28pyren%292.mnova"
}
},
{
"type": "mnova",
"key": "LK310 Pu(pyren)2_complete.mnova",
"size": 42068506,
"bucket": "dfab0390-cb07-441a-9f2a-88405a83c742",
"checksum": "md5:188fe13692716b359ca0c47754b7081c",
"links": {
"self": "https://rodare.hzdr.de/api/files/dfab0390-cb07-441a-9f2a-88405a83c742/LK310%20Pu%28pyren%292_complete.mnova"
}
},
{
"type": "cif",
"key": "Np(pyren)2.cif",
"size": 844956,
"bucket": "dfab0390-cb07-441a-9f2a-88405a83c742",
"checksum": "md5:3c6699bd7ff0ca896723fec8033781fa",
"links": {
"self": "https://rodare.hzdr.de/api/files/dfab0390-cb07-441a-9f2a-88405a83c742/Np%28pyren%292.cif"
}
},
{
"type": "opju",
"key": "NpPyren2_IR.opju",
"size": 298429,
"bucket": "dfab0390-cb07-441a-9f2a-88405a83c742",
"checksum": "md5:bccb19d8db3e56580908005e59880c2f",
"links": {
"self": "https://rodare.hzdr.de/api/files/dfab0390-cb07-441a-9f2a-88405a83c742/NpPyren2_IR.opju"
}
},
{
"type": "cif",
"key": "Pu(pyren)2.cif",
"size": 761013,
"bucket": "dfab0390-cb07-441a-9f2a-88405a83c742",
"checksum": "md5:c69bc8e3cec00d863698b26795ac811e",
"links": {
"self": "https://rodare.hzdr.de/api/files/dfab0390-cb07-441a-9f2a-88405a83c742/Pu%28pyren%292.cif"
}
},
{
"type": "cif",
"key": "pyrenH2_1.cif",
"size": 1451279,
"bucket": "dfab0390-cb07-441a-9f2a-88405a83c742",
"checksum": "md5:f52d780ad40210459c50af97a0af4356",
"links": {
"self": "https://rodare.hzdr.de/api/files/dfab0390-cb07-441a-9f2a-88405a83c742/pyrenH2_1.cif"
}
},
{
"type": "opju",
"key": "PyrenH2.opju",
"size": 227034,
"bucket": "dfab0390-cb07-441a-9f2a-88405a83c742",
"checksum": "md5:3b590175867ecddc44b02e14a6b0f793",
"links": {
"self": "https://rodare.hzdr.de/api/files/dfab0390-cb07-441a-9f2a-88405a83c742/PyrenH2.opju"
}
},
{
"type": "jpg",
"key": "Synthese pyren ligand.jpg",
"size": 8411,
"bucket": "dfab0390-cb07-441a-9f2a-88405a83c742",
"checksum": "md5:5b53193da8babba7aad88f029a9d82ef",
"links": {
"self": "https://rodare.hzdr.de/api/files/dfab0390-cb07-441a-9f2a-88405a83c742/Synthese%20pyren%20ligand.jpg"
}
},
{
"type": "cif",
"key": "Th(pyren)2.cif",
"size": 891401,
"bucket": "dfab0390-cb07-441a-9f2a-88405a83c742",
"checksum": "md5:bf907f96757684778b28c5eccb7dce6c",
"links": {
"self": "https://rodare.hzdr.de/api/files/dfab0390-cb07-441a-9f2a-88405a83c742/Th%28pyren%292.cif"
}
},
{
"type": "cif",
"key": "U(pyren)2.cif",
"size": 1434215,
"bucket": "dfab0390-cb07-441a-9f2a-88405a83c742",
"checksum": "md5:b606908336184c579f1320dc4cc7e3b7",
"links": {
"self": "https://rodare.hzdr.de/api/files/dfab0390-cb07-441a-9f2a-88405a83c742/U%28pyren%292.cif"
}
},
{
"type": "opju",
"key": "uv vis Daten An(IV)pyren2 Komplexe_100\u00b5M.opju",
"size": 783928,
"bucket": "dfab0390-cb07-441a-9f2a-88405a83c742",
"checksum": "md5:ab6f81277a0fca152ee4a89a3a1a10df",
"links": {
"self": "https://rodare.hzdr.de/api/files/dfab0390-cb07-441a-9f2a-88405a83c742/uv%20vis%20Daten%20An%28IV%29pyren2%20Komplexe_100%C2%B5M.opju"
}
}
],
"links": {
"badge": "https://rodare.hzdr.de/badge/doi/10.14278/rodare.1246.svg",
"doi": "https://doi.org/10.14278/rodare.1246",
"conceptbadge": "https://rodare.hzdr.de/badge/doi/10.14278/rodare.1245.svg",
"conceptdoi": "https://doi.org/10.14278/rodare.1245",
"thumb250": "https://rodare.hzdr.de/api/iiif/v2/dfab0390-cb07-441a-9f2a-88405a83c742:2c69d148-c8a2-4a51-aa6e-b59ab93e848b:Komplexsynthese%20pyren%20allg.png/full/250,/0/default.png",
"bucket": "https://rodare.hzdr.de/api/files/dfab0390-cb07-441a-9f2a-88405a83c742",
"html": "https://rodare.hzdr.de/record/1246",
"latest": "https://rodare.hzdr.de/api/records/1246",
"latest_html": "https://rodare.hzdr.de/record/1246"
}
}
| All versions | This version | |
|---|---|---|
| Views | 1,441 | 1,441 |
| Downloads | 1,215 | 1,215 |
| Data volume | 12.1 GB | 12.1 GB |
| Unique views | 636 | 636 |
| Unique downloads | 1,057 | 1,057 |