cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc718wd
title: CCDC 209773: Experimental Crystal Structure Determination

description: Related Article: V.Balland, F.Banse, E.Anxolabehere-Mallart, M.Ghiladi, T.A.Mattioli, C.Philouze, G.Blondin, J.-J.Girerd|2003|Inorg.Chem.|42|2470|doi:10.1021/ic025905n
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc7198t
title: CCDC 209785: Experimental Crystal Structure Determination

description: Related Article: Jinling Wang, Ming Yu, Yun Yang, Shuming Zhang, Fangming Miao|2002|Chin.Sci.Bull.|47|890|doi:10.1360/02tb9199
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc7199v
title: CCDC 209786: Experimental Crystal Structure Determination

description: Related Article: Kuang-Hway Yih, Gene-Hsiang Lee, Yu Wang|2003|Inorg.Chem.Commun.|6|577|doi:10.1016/S1387-7003(03)00043-1
description: Related Article: Ying-Chih Lin, Kuang-Hway Yih, Gene-Hsiang Lee, Shou-Ling Huang, Yu Wang|2004|J.Chin.Chem.Soc.(Taipei)|51|279|doi:10.1002/jccs.200400044
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc719bw
title: CCDC 209787: Experimental Crystal Structure Determination

description: Related Article: Kuang-Hway Yih, Gene-Hsiang Lee, Yu Wang|2003|Inorg.Chem.Commun.|6|577|doi:10.1016/S1387-7003(03)00043-1
description: Related Article: Ying-Chih Lin, Kuang-Hway Yih, Gene-Hsiang Lee, Shou-Ling Huang, Yu Wang|2004|J.Chin.Chem.Soc.(Taipei)|51|279|doi:10.1002/jccs.200400044
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc719cx
title: CCDC 209788: Experimental Crystal Structure Determination

description: Related Article: Kuang-Hway Yih, Gene-Hsiang Lee, Yu Wang|2003|Inorg.Chem.Commun.|6|577|doi:10.1016/S1387-7003(03)00043-1
description: Related Article: Kuang-Hway Yih, Gene-Hsiang Lee, Yu Wang|2004|J.Chin.Chem.Soc.(Taipei)|51|31|doi:10.1002/jccs.200400006
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc719dy
title: CCDC 209789: Experimental Crystal Structure Determination

description: Related Article: S.Kawasaki, M.Koikawa, T.Tokii|2002|Mol.Cryst.Liq.Cryst.|376|365|doi:10.1080/10587250210782
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc6j20s
title: CCDC 194184: Experimental Crystal Structure Determination

description: Related Article: C.Bucher, J.-C.Moutet, J.Pecaut, G.Royal, E.Saint-Aman, F.Thomas, S.Torelli, M.Ungureanu|2003|Inorg.Chem.|42|2242|doi:10.1021/ic020632h
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc719fz
title: CCDC 209790: Experimental Crystal Structure Determination

description: Related Article: S.Kawasaki, M.Koikawa, T.Tokii|2002|Mol.Cryst.Liq.Cryst.|376|365|doi:10.1080/10587250210782
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc6j1xn
title: CCDC 194181: Experimental Crystal Structure Determination

description: Related Article: C.Bucher, J.-C.Moutet, J.Pecaut, G.Royal, E.Saint-Aman, F.Thomas, S.Torelli, M.Ungureanu|2003|Inorg.Chem.|42|2242|doi:10.1021/ic020632h
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.13697938
title: Parallel-beam 4D-STEM tilt series on the metal-organic framework UiO-66

description: This repository contains data from scanning nanobeam electron diffraction experiments acquired using the 4D Camera installed on the double-aberration-corrected TEAM 0.5 instrument at NCEM.

Each directory contains a tilt series of consecutive 4D-STEM scans acquired on a conglomerate of eight UiO-66 nanocrystals, alongside a sequence of simultaneously acquired HAADF images. A near-parallel probe was formed by using a custom 10 μm C2 aperture (Norcada) to access a range of narrow (<0.1 mrad) semiconvergence angles. Using a custom DigitalMicrograph script, 4D-STEM data were acquired in increments of 1 degree with the 4D Camera operating at 87000 frames per second. Each dataset is comprised of 512×512 probe positions and 576×576 detector pixels, resulting in 174 GB of raw data per scan. These raw data were counted and reduced to a sparse, linear-index-encoded electron event representation (EER) in HDF5 format on the NERSC supercomputer, Perlmutter, using the open-source software package stempy. These sparse HDF5 files can be interactively viewed using our open-source python-based software, DuSC Explorer.

Experimental parameters for UiO-66:




Accelerating voltage
300 kV


Semiconvergence angle
0.07 mrad


Scan dimensions
512×512


Real-space step size
6.45 nm


Estimated probe size (FWHM)
14.4 nm


Total illuminated area
22.1 μm^2


Estimated fluence per probe position
1 e- Å^(-2)


Total size of raw data
12180 GB


Total size of sparsified data
10.5 GB
DOI: 10.5281/zenodo.13697939
title: Parallel-beam 4D-STEM tilt series on the metal-organic framework UiO-66

description: This repository contains data from scanning nanobeam electron diffraction experiments acquired using the 4D Camera installed on the double-aberration-corrected TEAM 0.5 instrument at NCEM.

Each directory contains a tilt series of consecutive 4D-STEM scans acquired on a conglomerate of eight UiO-66 nanocrystals, alongside a sequence of simultaneously acquired HAADF images. A near-parallel probe was formed by using a custom 10 μm C2 aperture (Norcada) to access a range of narrow (<0.1 mrad) semiconvergence angles. Using a custom DigitalMicrograph script, 4D-STEM data were acquired in increments of 1 degree with the 4D Camera operating at 87000 frames per second. Each dataset is comprised of 512×512 probe positions and 576×576 detector pixels, resulting in 174 GB of raw data per scan. These raw data were counted and reduced to a sparse, linear-index-encoded electron event representation (EER) in HDF5 format on the NERSC supercomputer, Perlmutter, using the open-source software package stempy. These sparse HDF5 files can be interactively viewed using our open-source python-based software, DuSC Explorer.

Experimental parameters for UiO-66:




Accelerating voltage
300 kV


Semiconvergence angle
0.07 mrad


Scan dimensions
512×512


Real-space step size
6.45 nm


Estimated probe size (FWHM)
14.4 nm


Total illuminated area
22.1 μm^2


Estimated fluence per probe position
1 e- Å^(-2)


Total size of raw data
12180 GB


Total size of sparsified data
10.5 GB
DOI: 10.5517/cc6j1wm
title: CCDC 194180: Experimental Crystal Structure Determination

description: Related Article: C.Bucher, J.-C.Moutet, J.Pecaut, G.Royal, E.Saint-Aman, F.Thomas, S.Torelli, M.Ungureanu|2003|Inorg.Chem.|42|2242|doi:10.1021/ic020632h
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc6d72w
title: CCDC 190497: Experimental Crystal Structure Determination

description: Related Article: R.Ahmad, I.Dix, M.J.Hardie|2003|Inorg.Chem.|42|2182|doi:10.1021/ic026071b
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc6ry51
title: CCDC 201753: Experimental Crystal Structure Determination

description: Related Article: Junfeng Bai, A.V.Virovets, M.Scheer|2003|Science|300|781|doi:10.1126/science.1081119
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc71cvg
title: CCDC 209865: Experimental Crystal Structure Determination

description: Related Article: A.-S.Chauvin, Y.-M.Frapart, J.Vaissermann, B.Donnadieu, J.-P.Tuchagues, J.-C.Chottard, Yun Li|2003|Inorg.Chem.|42|1895|doi:10.1021/ic020401a
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.15468/dl.7hmb97
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 }
 ]
 },
 "TaxonKey is one of (Euonymus oresbius)"
 ]
}

 The dataset includes 4 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016045-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc71cwh
title: CCDC 209866: Experimental Crystal Structure Determination

description: Related Article: A.-S.Chauvin, Y.-M.Frapart, J.Vaissermann, B.Donnadieu, J.-P.Tuchagues, J.-C.Chottard, Yun Li|2003|Inorg.Chem.|42|1895|doi:10.1021/ic020401a
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.15468/dl.9buqks
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Solenogastres)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "Geometry POLYGON((100 80,110 80,110 90,100 90,100 80))"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016044-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc5d25s
title: CCDC 160554: Experimental Crystal Structure Determination

description: Related Article: S.Bradley, K.D.Camm, Xiaoming Liu, P.McGowan, R.Mumtaz, K.A.Oughton, T.J.Podesta, M.Thornton-Pett|2002|Inorg.Chem.|41|715|doi:10.1021/ic010821k
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc71cxj
title: CCDC 209867: Experimental Crystal Structure Determination

description: Related Article: A.-S.Chauvin, Y.-M.Frapart, J.Vaissermann, B.Donnadieu, J.-P.Tuchagues, J.-C.Chottard, Yun Li|2003|Inorg.Chem.|42|1895|doi:10.1021/ic020401a
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc5d26t
title: CCDC 160555: Experimental Crystal Structure Determination

description: Related Article: S.Bradley, K.D.Camm, Xiaoming Liu, P.McGowan, R.Mumtaz, K.A.Oughton, T.J.Podesta, M.Thornton-Pett|2002|Inorg.Chem.|41|715|doi:10.1021/ic010821k
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc5d27v
title: CCDC 160556: Experimental Crystal Structure Determination

description: Related Article: S.Bradley, K.D.Camm, Xiaoming Liu, P.McGowan, R.Mumtaz, K.A.Oughton, T.J.Podesta, M.Thornton-Pett|2002|Inorg.Chem.|41|715|doi:10.1021/ic010821k
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc71d3r
title: CCDC 209873: Experimental Crystal Structure Determination

description: Related Article: S.Bradley, K.D.Camm, Xiaoming Liu, P.McGowan, R.Mumtaz, K.A.Oughton, T.J.Podesta, M.Thornton-Pett|2002|Inorg.Chem.|41|715|doi:10.1021/ic010821k
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc71d4s
title: CCDC 209874: Experimental Crystal Structure Determination

description: Related Article: S.Bradley, K.D.Camm, Xiaoming Liu, P.McGowan, R.Mumtaz, K.A.Oughton, T.J.Podesta, M.Thornton-Pett|2002|Inorg.Chem.|41|715|doi:10.1021/ic010821k
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc71d5t
title: CCDC 209875: Experimental Crystal Structure Determination

description: Related Article: S.Bradley, K.D.Camm, Xiaoming Liu, P.McGowan, R.Mumtaz, K.A.Oughton, T.J.Podesta, M.Thornton-Pett|2002|Inorg.Chem.|41|715|doi:10.1021/ic010821k
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc71d6v
title: CCDC 209876: Experimental Crystal Structure Determination

description: Related Article: S.Bradley, K.D.Camm, Xiaoming Liu, P.McGowan, R.Mumtaz, K.A.Oughton, T.J.Podesta, M.Thornton-Pett|2002|Inorg.Chem.|41|715|doi:10.1021/ic010821k
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc6rb3c
title: CCDC 201162: Experimental Crystal Structure Determination

description: Related Article: M.Gibson, J.M.Goodman, L.J.Farrugia, R.C.Hartley|2003|Tetrahedron Lett.|44|2841|doi:10.1016/S0040-4039(03)00440-4
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc6pns9
title: CCDC 199571: Experimental Crystal Structure Determination

description: Related Article: X.Morise, P.Braunstein, R.Welter|2003|Comptes Rendus Chimie|6|91|doi:10.1016/S1631-0748(03)00009-2
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc6pntb
title: CCDC 199572: Experimental Crystal Structure Determination

description: Related Article: X.Morise, P.Braunstein, R.Welter|2003|Comptes Rendus Chimie|6|91|doi:10.1016/S1631-0748(03)00009-2
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc6bm8d
title: CCDC 188953: Experimental Crystal Structure Determination

description: Related Article: W.Schuh, P.Braunstein, R.Welter|2003|Comptes Rendus Chimie|6|59|doi:10.1016/S1631-0748(03)00012-2
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc6bm9f
title: CCDC 188954: Experimental Crystal Structure Determination

description: Related Article: W.Schuh, P.Braunstein, R.Welter|2003|Comptes Rendus Chimie|6|59|doi:10.1016/S1631-0748(03)00012-2
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc671ct
title: CCDC 185515: Experimental Crystal Structure Determination

description: Related Article: G.Kickelbick, M.Amirnasr, A.D.Khalaji, S.Dehghanpour|2003|Aust.J.Chem.|56|323|doi:10.1071/CH02113
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc6l0pg
title: CCDC 196065: Experimental Crystal Structure Determination

description: Related Article: E.Sliwinski, F.Prian, F.Denes, F.Chemla, J.-F.Normant|2003|Comptes Rendus Chimie|6|67|doi:10.1016/S1631-0748(03)00017-1
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc671dv
title: CCDC 185516: Experimental Crystal Structure Determination

description: Related Article: G.Kickelbick, M.Amirnasr, A.D.Khalaji, S.Dehghanpour|2003|Aust.J.Chem.|56|323|doi:10.1071/CH02113
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc671fw
title: CCDC 185517: Experimental Crystal Structure Determination

description: Related Article: G.Kickelbick, M.Amirnasr, A.D.Khalaji, S.Dehghanpour|2003|Aust.J.Chem.|56|323|doi:10.1071/CH02113
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.