cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15156/bio/sh1392793.10fu
title: SH1392793.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.3535/l1j-7z1-83p
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/sfg-v20-t02
title: Sus scrofa Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/lkl-y9k-cce
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/nj9-c0z-kk6
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/0pa-e4n-x2t
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/3ep-j0v-z3a
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.6084/m9.figshare.29930918
title: Karst-soil data

description: Soil data
DOI: 10.6084/m9.figshare.29930918.v1
title: Karst-soil data

description: Soil data
DOI: 10.3535/6wy-ptf-n0t
title: Porifera Grant, 1836

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/777-440-ylv
title: Monachus Fleming, 1822

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/arf-5pb-cac
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/m6q-vk6-g0b
title: Heteroscleromorpha Cárdenas, Pérez & Boury-Esnault, 2012

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/ela-6lj-aef
title: Equus (Equus) caballus Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/j4n-lwh-28a
title: Cycadales

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/kyj-zpn-hlv
title: Equus (Equus) caballus Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/rlf-27m-jg4
title: Isurus

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/7cf-ttc-khx
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/lt2-mnj-qmn
title: Spiticeras

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/7ha-mjt-npj
title: Plantae

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/8qx-g5h-vgr
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/z5m-893-kc3
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/91j-6p2-dfl
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/md7-81g-zne
title: Carcharhinidae

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/dmr-8yl-f65
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/qrh-3v1-lkc
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/sv2-fq1-emg
title: †Arcestes subdistinctus von Mojsisovics, 1875

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/j77-mq2-bx7
title: Cidaris Leske, 1778

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/xxw-cqh-0gy
title: Bos taurus Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/lwk-dkv-4fl
title: Animalia

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/x28-p21-y4w
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/0tk-shb-4fq
title: Cervus elaphus Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/jjc-nqr-qan
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/l7n-g46-cbj
title: Proarcestes

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/s7w-9cg-s20
title: Liobole

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/kke-ca2-zqm
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/r77-20q-lsj
title: Odontaspis

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/2hk-sqb-bkc
title: Bison C. H. Smith, 1827

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/7hd-kwy-y65
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/1p6-7pc-hgr
title: Cnidaria

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/7s8-de9-0wb
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/qbe-bxv-1tv
title: †Ptychophylloceras ptychoicum (Quenstedt, 1845)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/b0c-17s-maz
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/s9x-q91-rr3
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/8c0-rw0-xd1
title: Cetacea Brisson, 1762

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/sl7-kfa-j43
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/101-rgd-32p
title: Animalia

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/st2-c66-xds
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/vxw-6sd-ljw
title: Animalia

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.15468/dl.66k6jb
title: Occurrence Download

description: A dataset containing 20 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Hydroides minax",
 "Country is Israel",
 "HasCoordinate is true"
 ]
}

 The dataset includes 20 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0018957-250811113504898/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/11y-7tz-cmd
title: Lamnidae

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/q6h-a2k-gh3
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/swq-3se-vqr
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/yzr-fq4-ek9
title: Mammalia Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5281/zenodo.16755444
title: Shapefiles for the bioregionalization of Odonata, Anisoptera, and Zygoptera in the Neotropical region.

description: This dataset contains three shapefiles:

1) Odonata bioregions in the Neotropical region.

2) Anisoptera bioregions in the Neotropical region.

3) Zygoptera bioregions in the Neotropical region.
DOI: 10.5281/zenodo.16755445
title: Shapefiles for the bioregionalization of Odonata, Anisoptera, and Zygoptera in the Neotropical region.

description: This dataset contains three shapefiles:

1) Odonata bioregions in the Neotropical region.

2) Anisoptera bioregions in the Neotropical region.

3) Zygoptera bioregions in the Neotropical region.
DOI: 10.3535/bqd-7nq-4lc
title: Cucullaea Lamarck, 1801

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/lvk-2tt-jqy
title: Bos taurus Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/pqg-1ns-tsg
title: Elephantidae Gray, 1821

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.5517/cc83tnt
title: CCDC 242006: Experimental Crystal Structure Determination

description: Related Article: D.A.Clemente|2005|Inorg.Chim.Acta|358|1725|doi:10.1016/j.ica.2004.10.037
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/cc9748x
title: CCDC 274978: Experimental Crystal Structure Determination

description: Related Article: Y.Ooyama, K.Yoshida|2005|New J.Chem.|29|1204|doi:10.1039/b411591k
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.16368472
title: Supporting data for manuscript: "Active Δ-learning with universal potentials for global structure optimization"

description: Datasets and Python scripts supporting the findings presented in the manuscript "Active $\Delta$-learning with universal potentials for global structure optimization". 

Contained are scripts to reproduce the results using AGOX v. 3.10.2



rss_sript.py: Random Structure Search  AGOX script for $[\mathrm{Ag}_2\mathrm{S}]_X$ clusters. 

bh_script.py: Basin Hopping AGOX script for $[\mathrm{Ag}_2\mathrm{S}]_X$ clusters. 

gofee_script.py: GOFEE AGOX script for $[\mathrm{Ag}_2\mathrm{S}]_X$ clusters. 

rex_script.py: Replica Exchange X AGOX script for $[\mathrm{Ag}_2\mathrm{S}]_X$ clusters.

rss_surface_script.py: Random structure search AGOX script for $(\sqrt{7} \times \sqrt{7})$ Ag(111) sulfur reconstructed surface.

rex_surface_script.py: Replica Exchange X AGOX script for $(\sqrt{17} \times \sqrt{17})$ Ag(100) sulfur reconstructed surface.


And datasets: 



figure_2_ags_clusters/Ag<2*size>S<size>_<umlip>.xyz: Global minima configurations of Ag<2*size>S<size> clusters with different <umlip> for size = [4, 6, 8, 10, 12] and umlip = [chg, mace, mace_mpa].

figure_3_ags_clusters/ag16s8_<umlip>.xyz: Minima configurations for the $[\mathrm{Ag}_2\mathrm{S}]_8$ clusters.

figure_6_ag111_sq7xsq7/dft.xyz: DFT Global minimum configuration for the $(\sqrt{7} \times \sqrt{7})$ Ag(111) sulfur reconstructed surface.

figure_7_ag100_sq17xsq17/<mulip>.xyz: DFT, CHGNet, MACE-MP0 and MACE-MPA global minima configurations for the $(\sqrt{17} \times \sqrt{17})$ Ag(100) sulfur reconstructed surface.

figure_8_pretraining_data/training.xyz: Training data to pretrain $\Delta$-model for $(\sqrt{17} \times \sqrt{17})$ Ag(100) sulfur reconstructed surface. 

ag17x17.xyz: $(\sqrt{17} \times \sqrt{17})$ Ag(111) surface slab. 

ag7x7.xyz: $(\sqrt{7} \times \sqrt{7})$ Ag(100) surface slab. 

supplementary/supp_4/Ag<2*size>S<size>_<umlip>.xyz: Configurations of Ag<2*size>S<size> clusters with different <umlip> for size = [4, 6, 8, 10, 12] and umlip = [chg, mace_mp0, mace_mpa].
DOI: 10.5517/cc83tpv
title: CCDC 242007: Experimental Crystal Structure Determination

description: Related Article: D.A.Clemente|2005|Inorg.Chim.Acta|358|1725|doi:10.1016/j.ica.2004.10.037
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/cc8lf9k
title: CCDC 256038: Experimental Crystal Structure Determination

description: Related Article: M.Barquin, M.J.Gonzalez Garmendia, L.Larrinaga, E.Pinilla, M.R.Torres|2005|Z.Anorg.Allg.Chem.|631|2210|doi:10.1002/zaac.200570045
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/cc83wrz
title: CCDC 242071: Experimental Crystal Structure Determination

description: Related Article: D.A.Clemente|2005|Inorg.Chim.Acta|358|1725|doi:10.1016/j.ica.2004.10.037
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/cc83xlv
title: CCDC 242097: Experimental Crystal Structure Determination

description: Related Article: D.A.Clemente|2005|Inorg.Chim.Acta|358|1725|doi:10.1016/j.ica.2004.10.037
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/cc83wt1
title: CCDC 242073: Experimental Crystal Structure Determination

description: Related Article: D.A.Clemente|2005|Inorg.Chim.Acta|358|1725|doi:10.1016/j.ica.2004.10.037
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/cc83wv2
title: CCDC 242074: Experimental Crystal Structure Determination

description: Related Article: D.A.Clemente|2005|Inorg.Chim.Acta|358|1725|doi:10.1016/j.ica.2004.10.037
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/cc9h856
title: CCDC 282787: Experimental Crystal Structure Determination

description: Related Article: J.Glaser, S.Tragl, H.-J.Meyer|2005|Z.Krist.Cryst.Mater.|220|214|doi:10.1524/zkri.220.2.214.59128
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/cc83xmw
title: CCDC 242098: Experimental Crystal Structure Determination

description: Related Article: D.A.Clemente|2005|Inorg.Chim.Acta|358|1725|doi:10.1016/j.ica.2004.10.037
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/cc9m0qm
title: CCDC 286400: Experimental Crystal Structure Determination

description: Related Article: V.Metivaud, A.Lefevre, L.Ventola, P.Negrier, E.Moreno, T.Calvet, D.Mondieig, M.A.Cuevas-Diarte|2005|Chem.Mater.|17|3302|doi:10.1021/cm050130c
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/cc83tqw
title: CCDC 242008: Experimental Crystal Structure Determination

description: Related Article: D.A.Clemente|2005|Inorg.Chim.Acta|358|1725|doi:10.1016/j.ica.2004.10.037
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/cc8xdl4
title: CCDC 265626: Experimental Crystal Structure Determination

description: Related Article: Hui-Juan Yang, Hui-Zhong Kou, Zhong-Hai Ni, Ai-Li Cui Ru-Ji Wang|2005|Inorg.Chem.Commun.|8|846|doi:10.1016/j.inoche.2005.06.012
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/cc83ww3
title: CCDC 242075: Experimental Crystal Structure Determination

description: Related Article: D.A.Clemente|2005|Inorg.Chim.Acta|358|1725|doi:10.1016/j.ica.2004.10.037
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/cc83wz6
title: CCDC 242078: Experimental Crystal Structure Determination

description: Related Article: D.A.Clemente|2005|Inorg.Chim.Acta|358|1725|doi:10.1016/j.ica.2004.10.037
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/cc923zf
title: CCDC 270164: Experimental Crystal Structure Determination

description: Related Article: M.I.Khan, E.Yohannes, R.J.Doedens, V.O.Golub, C.J.O'Connor|2005|Inorg.Chem.Commun.|8|841|doi:10.1016/j.inoche.2005.06.009
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/cc83trx
title: CCDC 242009: Experimental Crystal Structure Determination

description: Related Article: D.A.Clemente|2005|Inorg.Chim.Acta|358|1725|doi:10.1016/j.ica.2004.10.037
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/cc83xnx
title: CCDC 242099: Experimental Crystal Structure Determination

description: Related Article: D.A.Clemente|2005|Inorg.Chim.Acta|358|1725|doi:10.1016/j.ica.2004.10.037
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/cc83tsy
title: CCDC 242010: Experimental Crystal Structure Determination

description: Related Article: D.A.Clemente|2005|Inorg.Chim.Acta|358|1725|doi:10.1016/j.ica.2004.10.037
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/cc83x08
title: CCDC 242079: Experimental Crystal Structure Determination

description: Related Article: D.A.Clemente|2005|Inorg.Chim.Acta|358|1725|doi:10.1016/j.ica.2004.10.037
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.