March 16, 2022 Dataset Open Access

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

JSON Export

{
  "metadata": {
    "communities": [
      {
        "id": "rodare"
      }
    ], 
    "creators": [
      {
        "orcid": "0000-0003-3013-5590", 
        "name": "K\u00f6hler, Luisa", 
        "affiliation": "HZDR"
      }, 
      {
        "orcid": "0000-0003-3125-1278", 
        "name": "Patzschke, Michael", 
        "affiliation": "HZDR"
      }, 
      {
        "orcid": "0000-0001-5484-8857", 
        "name": "Bauters, Stephen", 
        "affiliation": "The Rossendorf Beamline at ESRF at the European Synchrotron"
      }, 
      {
        "orcid": "0000-0002-3117-7701", 
        "name": "Vitova, Tonya", 
        "affiliation": "Karlsruhe Institute of Technology, Institute for Nuclear Waste Disposal (INE)"
      }, 
      {
        "name": "Butorin, Sergei M.", 
        "affiliation": "Uppsala University, Molecular and Condensed Matter Physics"
      }, 
      {
        "orcid": "0000-0003-4447-4542", 
        "name": "Kvashnina, Kristina O.", 
        "affiliation": "The Rossendorf Beamline at ESRF at the European Synchrotron"
      }, 
      {
        "orcid": "0000-0002-8419-0811", 
        "name": "Schmidt, Moritz", 
        "affiliation": "HZDR"
      }, 
      {
        "name": "Stumpf, Thorsten", 
        "affiliation": "HDZR"
      }, 
      {
        "orcid": "0000-0003-4960-3745", 
        "name": "M\u00e4rz, Juliane", 
        "affiliation": "HZDR"
      }
    ], 
    "title": "Data publication: Insights into the Electronic Structure of a U(IV) Amido and U(V) Imido Complex", 
    "language": "eng", 
    "publication_date": "2022-03-16", 
    "doc_id": "1", 
    "doi": "10.14278/rodare.1482", 
    "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", 
    "resource_type": {
      "type": "dataset", 
      "title": "Dataset"
    }, 
    "pub_id": "34386", 
    "keywords": [
      "uranium(V)", 
      "HERFD XANES", 
      "cabenes", 
      "inverse trans influence"
    ], 
    "access_right_category": "success", 
    "related_identifiers": [
      {
        "relation": "isSupplementTo", 
        "identifier": "10.1002/chem.202200119", 
        "scheme": "doi"
      }, 
      {
        "relation": "isIdenticalTo", 
        "identifier": "https://www.hzdr.de/publications/Publ-34386", 
        "scheme": "url"
      }, 
      {
        "relation": "isVersionOf", 
        "identifier": "10.14278/rodare.1481", 
        "scheme": "doi"
      }
    ], 
    "license": {
      "id": "CC-BY-4.0"
    }, 
    "relations": {
      "version": [
        {
          "last_child": {
            "pid_value": "1482", 
            "pid_type": "recid"
          }, 
          "count": 1, 
          "is_last": true, 
          "parent": {
            "pid_value": "1481", 
            "pid_type": "recid"
          }, 
          "index": 0
        }
      ]
    }
  }, 
  "conceptdoi": "10.14278/rodare.1481", 
  "stats": {
    "volume": 903960174.0, 
    "unique_downloads": 126.0, 
    "version_unique_downloads": 126.0, 
    "unique_views": 130.0, 
    "downloads": 910.0, 
    "version_unique_views": 130.0, 
    "version_views": 419.0, 
    "version_downloads": 910.0, 
    "version_volume": 903960174.0, 
    "views": 419.0
  }, 
  "updated": "2022-03-16T10:56:22.894220+00:00", 
  "created": "2022-03-16T09:02:49.292180+00:00", 
  "revision": 3, 
  "files": [
    {
      "type": "opj", 
      "checksum": "md5:ea514aac412eaff868a559f8ab094176", 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/Auswertung%20U%28IV%29%20Komplex.opj"
      }, 
      "key": "Auswertung U(IV) Komplex.opj", 
      "size": 571544
    }, 
    {
      "type": "opju", 
      "checksum": "md5:a2d5f38831ee6c2a60879e4d6f6f827c", 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/Auswertung%20U%28V%29%20Komplex.opju"
      }, 
      "key": "Auswertung U(V) Komplex.opju", 
      "size": 158807
    }, 
    {
      "type": "cif", 
      "checksum": "md5:7637909cc76a3e6e33124289e2564230", 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/LK18d_neu.cif"
      }, 
      "key": "LK18d_neu.cif", 
      "size": 238532
    }, 
    {
      "type": "cif", 
      "checksum": "md5:ce8667a84ba8fbe207eed823c254558d", 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/LK39b.cif"
      }, 
      "key": "LK39b.cif", 
      "size": 3276032
    }, 
    {
      "type": "txt", 
      "checksum": "md5:701598cb78cd0e02cc62c7f0d50e5e13", 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/Sample1_JM_U4.txt"
      }, 
      "key": "Sample1_JM_U4.txt", 
      "size": 2141
    }, 
    {
      "type": "txt", 
      "checksum": "md5:640869ab64a9dccc2d041e2223359a42", 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/Sample2_JM_U5_smoothed.txt"
      }, 
      "key": "Sample2_JM_U5_smoothed.txt", 
      "size": 5850
    }, 
    {
      "type": "xyz", 
      "checksum": "md5:76d197ec0613f646b0c025cc0dea506e", 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/u_imid_an_linear.xyz"
      }, 
      "key": "u_imid_an_linear.xyz", 
      "size": 872
    }, 
    {
      "type": "xyz", 
      "checksum": "md5:01206c7eb909d8d15a19400ccccad130", 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/u_imid_dian_linear.xyz"
      }, 
      "key": "u_imid_dian_linear.xyz", 
      "size": 872
    }, 
    {
      "type": "xyz", 
      "checksum": "md5:50d4723ba45bbe47255005cdeceb15af", 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/u_imid_trian_linear.xyz"
      }, 
      "key": "u_imid_trian_linear.xyz", 
      "size": 872
    }, 
    {
      "type": "txt", 
      "checksum": "md5:3a06bacab24a7863aa88f7546945e638", 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/UO2_CL2.txt"
      }, 
      "key": "UO2_CL2.txt", 
      "size": 5461
    }, 
    {
      "type": "txt", 
      "checksum": "md5:d283f078bf32f2e3fb267fd940adc134", 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/UO2.txt"
      }, 
      "key": "UO2.txt", 
      "size": 5493
    }, 
    {
      "type": "pdf", 
      "checksum": "md5:8153674dcd21690fc3ec54bbcdae9790", 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/UV_calc.pdf"
      }, 
      "key": "UV_calc.pdf", 
      "size": 3289
    }, 
    {
      "type": "xyz", 
      "checksum": "md5:6f145500b9fef04dc40aa77ff4c3573a", 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/w_imid_an_linear.xyz"
      }, 
      "key": "w_imid_an_linear.xyz", 
      "size": 873
    }, 
    {
      "type": "xyz", 
      "checksum": "md5:c18c4a182571ff4c19ea2963ca23e759", 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/w_imid_dian_linear.xyz"
      }, 
      "key": "w_imid_dian_linear.xyz", 
      "size": 872
    }, 
    {
      "type": "xyz", 
      "checksum": "md5:a912e574ef4a9d81615b1c81c9f87340", 
      "bucket": "0059e4ac-0da6-4991-bd39-f8ac15abbe77", 
      "links": {
        "self": "https://rodare.hzdr.de/api/files/0059e4ac-0da6-4991-bd39-f8ac15abbe77/w_imid_trian_linear.xyz"
      }, 
      "key": "w_imid_trian_linear.xyz", 
      "size": 872
    }
  ], 
  "id": 1482, 
  "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"
  }, 
  "doi": "10.14278/rodare.1482", 
  "owners": [
    285
  ], 
  "conceptrecid": "1481"
}