Dataset Open Access

Data publication: Insights into the Electronic Structure of a U(IV) Amido and U(V) Imido Complex

Köhler, Luisa; Patzschke, Michael; Bauters, Stephen; Vitova, Tonya; Butorin, Sergei M.; Kvashnina, Kristina O.; Schmidt, Moritz; Stumpf, Thorsten; März, Juliane

JSON Export

{
  "created": "2022-03-16T09:02:49.292180+00:00", 
  "doi": "10.14278/rodare.1482", 
  "revision": 3, 
  "files": [
    {
      "size": 571544, 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "key": "Auswertung U(IV) Komplex.opj", 
      "type": "opj", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/Auswertung%20U%28IV%29%20Komplex.opj"
      }, 
      "checksum": "md5:ea514aac412eaff868a559f8ab094176"
    }, 
    {
      "size": 158807, 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "key": "Auswertung U(V) Komplex.opju", 
      "type": "opju", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/Auswertung%20U%28V%29%20Komplex.opju"
      }, 
      "checksum": "md5:a2d5f38831ee6c2a60879e4d6f6f827c"
    }, 
    {
      "size": 238532, 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "key": "LK18d_neu.cif", 
      "type": "cif", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/LK18d_neu.cif"
      }, 
      "checksum": "md5:7637909cc76a3e6e33124289e2564230"
    }, 
    {
      "size": 3276032, 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "key": "LK39b.cif", 
      "type": "cif", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/LK39b.cif"
      }, 
      "checksum": "md5:ce8667a84ba8fbe207eed823c254558d"
    }, 
    {
      "size": 2141, 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "key": "Sample1_JM_U4.txt", 
      "type": "txt", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/Sample1_JM_U4.txt"
      }, 
      "checksum": "md5:701598cb78cd0e02cc62c7f0d50e5e13"
    }, 
    {
      "size": 5850, 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "key": "Sample2_JM_U5_smoothed.txt", 
      "type": "txt", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/Sample2_JM_U5_smoothed.txt"
      }, 
      "checksum": "md5:640869ab64a9dccc2d041e2223359a42"
    }, 
    {
      "size": 872, 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "key": "u_imid_an_linear.xyz", 
      "type": "xyz", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/u_imid_an_linear.xyz"
      }, 
      "checksum": "md5:76d197ec0613f646b0c025cc0dea506e"
    }, 
    {
      "size": 872, 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "key": "u_imid_dian_linear.xyz", 
      "type": "xyz", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/u_imid_dian_linear.xyz"
      }, 
      "checksum": "md5:01206c7eb909d8d15a19400ccccad130"
    }, 
    {
      "size": 872, 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "key": "u_imid_trian_linear.xyz", 
      "type": "xyz", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/u_imid_trian_linear.xyz"
      }, 
      "checksum": "md5:50d4723ba45bbe47255005cdeceb15af"
    }, 
    {
      "size": 5461, 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "key": "UO2_CL2.txt", 
      "type": "txt", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/UO2_CL2.txt"
      }, 
      "checksum": "md5:3a06bacab24a7863aa88f7546945e638"
    }, 
    {
      "size": 5493, 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "key": "UO2.txt", 
      "type": "txt", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/UO2.txt"
      }, 
      "checksum": "md5:d283f078bf32f2e3fb267fd940adc134"
    }, 
    {
      "size": 3289, 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "key": "UV_calc.pdf", 
      "type": "pdf", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/UV_calc.pdf"
      }, 
      "checksum": "md5:8153674dcd21690fc3ec54bbcdae9790"
    }, 
    {
      "size": 873, 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "key": "w_imid_an_linear.xyz", 
      "type": "xyz", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/w_imid_an_linear.xyz"
      }, 
      "checksum": "md5:6f145500b9fef04dc40aa77ff4c3573a"
    }, 
    {
      "size": 872, 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "key": "w_imid_dian_linear.xyz", 
      "type": "xyz", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/w_imid_dian_linear.xyz"
      }, 
      "checksum": "md5:c18c4a182571ff4c19ea2963ca23e759"
    }, 
    {
      "size": 872, 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "key": "w_imid_trian_linear.xyz", 
      "type": "xyz", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/w_imid_trian_linear.xyz"
      }, 
      "checksum": "md5:a912e574ef4a9d81615b1c81c9f87340"
    }
  ], 
  "stats": {
    "volume": 1222214645.0, 
    "unique_downloads": 764.0, 
    "version_unique_downloads": 764.0, 
    "unique_views": 497.0, 
    "downloads": 1992.0, 
    "version_unique_views": 497.0, 
    "version_views": 817.0, 
    "version_downloads": 1992.0, 
    "version_volume": 1222214645.0, 
    "views": 817.0
  }, 
  "metadata": {
    "doc_id": "1", 
    "access_right_category": "success", 
    "communities": [
      {
        "id": "rodare"
      }
    ], 
    "language": "eng", 
    "license": {
      "id": "CC-BY-4.0"
    }, 
    "title": "Data publication: Insights into the Electronic Structure of a U(IV) Amido and U(V) Imido Complex", 
    "creators": [
      {
        "affiliation": "HZDR", 
        "orcid": "0000-0003-3013-5590", 
        "name": "K\u00f6hler, Luisa"
      }, 
      {
        "affiliation": "HZDR", 
        "orcid": "0000-0003-3125-1278", 
        "name": "Patzschke, Michael"
      }, 
      {
        "affiliation": "The Rossendorf Beamline at ESRF at the European Synchrotron", 
        "orcid": "0000-0001-5484-8857", 
        "name": "Bauters, Stephen"
      }, 
      {
        "affiliation": "Karlsruhe Institute of Technology, Institute for Nuclear Waste Disposal (INE)", 
        "orcid": "0000-0002-3117-7701", 
        "name": "Vitova, Tonya"
      }, 
      {
        "affiliation": "Uppsala University, Molecular and Condensed Matter Physics", 
        "name": "Butorin, Sergei M."
      }, 
      {
        "affiliation": "The Rossendorf Beamline at ESRF at the European Synchrotron", 
        "orcid": "0000-0003-4447-4542", 
        "name": "Kvashnina, Kristina O."
      }, 
      {
        "affiliation": "HZDR", 
        "orcid": "0000-0002-8419-0811", 
        "name": "Schmidt, Moritz"
      }, 
      {
        "affiliation": "HDZR", 
        "name": "Stumpf, Thorsten"
      }, 
      {
        "affiliation": "HZDR", 
        "orcid": "0000-0003-4960-3745", 
        "name": "M\u00e4rz, Juliane"
      }
    ], 
    "publication_date": "2022-03-16", 
    "pub_id": "34386", 
    "keywords": [
      "uranium(V)", 
      "HERFD XANES", 
      "cabenes", 
      "inverse trans influence"
    ], 
    "description": "<p>This set includes single-crystal X-ray diffraction, IR, HERFD XANES and quantumchemical calculation data for the characterization of the synthesized U(IV) amido and U(V) imido complexes. Furthermore with this the inverse trans influence can be evaluated.</p>", 
    "access_right": "open", 
    "doi": "10.14278/rodare.1482", 
    "related_identifiers": [
      {
        "relation": "isSupplementTo", 
        "scheme": "doi", 
        "identifier": "10.1002/chem.202200119"
      }, 
      {
        "relation": "isIdenticalTo", 
        "scheme": "url", 
        "identifier": "https://www.hzdr.de/publications/Publ-34386"
      }, 
      {
        "relation": "isVersionOf", 
        "scheme": "doi", 
        "identifier": "10.14278/rodare.1481"
      }
    ], 
    "resource_type": {
      "type": "dataset", 
      "title": "Dataset"
    }, 
    "relations": {
      "version": [
        {
          "count": 1, 
          "is_last": true, 
          "last_child": {
            "pid_value": "1482", 
            "pid_type": "recid"
          }, 
          "index": 0, 
          "parent": {
            "pid_value": "1481", 
            "pid_type": "recid"
          }
        }
      ]
    }
  }, 
  "links": {
    "badge": "https://rodare.hzdr.de/badge/doi/10.14278/rodare.1482.svg", 
    "doi": "https://doi.org/10.14278/rodare.1482", 
    "conceptbadge": "https://rodare.hzdr.de/badge/doi/10.14278/rodare.1481.svg", 
    "conceptdoi": "https://doi.org/10.14278/rodare.1481", 
    "bucket": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
    "html": "https://rodare.hzdr.de/record/1482", 
    "latest": "https://rodare.hzdr.de/api/records/1482", 
    "latest_html": "https://rodare.hzdr.de/record/1482"
  }, 
  "updated": "2022-03-16T10:56:22.894220+00:00", 
  "owners": [
    285
  ], 
  "conceptdoi": "10.14278/rodare.1481", 
  "id": 1482, 
  "conceptrecid": "1481"
}
817
1,992
views
downloads
All versions This version
Views 817817
Downloads 1,9921,992
Data volume 1.2 GB1.2 GB
Unique views 497497
Unique downloads 764764
More info on how stats are collected.
Publication date:
March 16, 2022
DOI:
10.14278/rodare.1482

RODARE DOI Badge

DOI 

10.14278/rodare.1482

Markdown 

[![DOI](https://rodare.hzdr.de/badge/DOI/10.14278/rodare.1482.svg)](https://doi.org/10.14278/rodare.1482)

reStructedText 

.. image:: https://rodare.hzdr.de/badge/DOI/10.14278/rodare.1482.svg
   :target: https://doi.org/10.14278/rodare.1482

HTML 

<a href="https://doi.org/10.14278/rodare.1482"><img src="https://rodare.hzdr.de/badge/DOI/10.14278/rodare.1482.svg" alt="DOI"></a>

Image URL 

https://rodare.hzdr.de/badge/DOI/10.14278/rodare.1482.svg

Target URL 

https://doi.org/10.14278/rodare.1482

Keyword(s):
uranium(V) HERFD XANES cabenes inverse trans influence
Related identifiers:
Identical to:
https://www.hzdr.de/publications/Publ-34386
Supplement to:
10.1002/chem.202200119
Communities:
License (for files):
Creative Commons Attribution 4.0 International

Versions

Version 1 10.14278/rodare.1482 Mar 16, 2022
Cite all versions? You can cite all versions by using the DOI 10.14278/rodare.1481. This DOI represents all versions, and will always resolve to the latest one. Read more.

Share

Cite as

Export