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Acta Crystallographica Section B, ISSN 2052-5206, 04/2016, Volume 72, Issue 2, pp. 171 - 179
The Cambridge Structural Database (CSD) contains a complete record of all published organic and metal–organic small‐molecule crystal structures. The database... 
CIF archive | Cambridge Structural Database | open data | crystal structure database | CAPABILITIES | MOLECULE | INFORMATION | KNOWLEDGE | CRYSTAL-STRUCTURES | CRYSTALLOGRAPHY | CHEMISTRY, MULTIDISCIPLINARY | CHEMICAL-STRUCTURE | DIFFRACTION | FILE | GEOMETRY | Structure | Databases | Crystals
Journal Article
Journal of Applied Crystallography, ISSN 1600-5767, 04/2010, Volume 43, Issue 2, pp. 362 - 366
WebCSD, a new web‐based application developed by the Cambridge Crystallographic Data Centre, offers fast searching of the Cambridge Structural Database using... 
database searching | WebCSD | computer programs | reduced cell | Cambridge Structural Database | similarity searching | substructure | CRYSTAL-STRUCTURES | CRYSTALLOGRAPHY | SELECTION | INFORMATION | Online searching | Internet/Web search services | Databases | Database searching | World Wide Web | Crystallography | Online data bases | Computer Programs
Journal Article
Journal of Applied Crystallography, ISSN 1600-5767, 08/2011, Volume 44, Issue 4, pp. 882 - 886
A collection of new software tools is presented for the analysis of geometrical, chemical and crystallographic data from the Cambridge Structural Database... 
Vista | computer programs | data analysis | Cambridge Structural Database | substructure | Data analysis | CRYSTAL-STRUCTURES | MOLECULAR-GEOMETRY | CRYSTALLOGRAPHY | INFORMATION | RETRIEVAL | COMPLEXES | Software | Databases | Data bases | Statistical analysis | Data processing | Mercury | Crystallography | Plotting | Three dimensional | Computer programs | Computer Programs
Journal Article
Journal of Applied Crystallography, ISSN 1600-5767, 08/2010, Volume 43, Issue 4, pp. 811 - 824
Journal Article
Acta Crystallographica, Section B - Structural Science, Crystal Engineering and Materials, ISSN 2052-5206, 2019, Volume 75, Issue 3, pp. 371 - 383
To obtain a better understanding of which coformers to combine for the successful formation of a cocrystal, techniques from data mining and network science are... 
cocrystal prediction | Cambridge Structural Database | cocrystallization | knowledge‐based approach | networks | data mining | Analysis | Databases | Cocrystallization | Data mining | Data bases
Journal Article
Acta Crystallographica Section B, ISSN 2052-5206, 12/2019, Volume 75, Issue 6, pp. 1096 - 1105
The Cambridge Structural Database (CSD) currently contains over 400 000 transition‐metal‐containing entries, however many entries still lack curated... 
oxidation states | bond‐valence sum method | Cambridge Structural Database | coordination chemistry | transition metals | Application programming interface | Automation | Valence | Metals | Atomic properties | Workflow | Oxidation | Surveying | Coordination compounds | Data bases | Programming languages
Journal Article
Journal of Applied Crystallography, ISSN 1600-5767, 10/2010, Volume 43, Issue 5‐2, pp. 1208 - 1223
The Cambridge Structural Database (CSD) is a vast and ever growing compendium of accurate three‐dimensional structures that has massive chemical diversity... 
crystallographic education | WebCSD | Cambridge Structural Database | ORGANIC-CHEMISTRY | SYMMETRY | PREFERENCES | INFORMATION | COMPLEXES | CRYSTAL-STRUCTURES | CRYSTALLOGRAPHY | Education | Teachers | Universities and colleges | Chemistry | Data bases | Databases | Searching | Materials handling | Modules | Internet | Crystallography | Handling | Teaching
Journal Article
JOURNAL OF CHEMICAL AND ENGINEERING DATA, ISSN 0021-9568, 12/2019, Volume 64, Issue 12, pp. 5985 - 5998
Over 14 000 porous, three-dimensional metal-organic framework structures are compiled and analyzed as a part of an update to the Computation-Ready,... 
ENGINEERING, CHEMICAL | NETS | THERMODYNAMICS | CAMBRIDGE STRUCTURAL DATABASE | GAS-STORAGE | LIGANDS | TILINGS | CHEMISTRY | CRYSTAL-STRUCTURES | CAPTURE | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Acta Crystallographica Section B: Structural Science, ISSN 0108-7681, 04/2013, Volume 69, Issue 2, pp. 184 - 194
  Five new compounds belonging to the phosphoric triamide family have been synthesized: two of them with the formula XC(O)NHP(O)Y [X = CF3 (1) and CClF2 (2), Y... 
crystal packing | hydrogen bonding | Cambridge Structural Database | Molecular chemistry | Hydrogen bonds | Chemical synthesis | Crystallography | Databases | Atomic properties | Chemical bonds | Distortion | Nuclear magnetic resonance | Bonding | Deposition
Journal Article
Chemistry – An Asian Journal, ISSN 1861-4728, 01/2017, Volume 12, Issue 2, pp. 208 - 211
Empirical searching conditions were adopted to identify suitable candidates from the Cambridge Structural Database (CSD) for crystalline sponge hosts for X‐ray... 
database search | crystallography | porous materials | structure elucidation | host–guest chemistry | CAMBRIDGE STRUCTURAL DATABASE | METAL-ORGANIC FRAMEWORKS | X-RAY-ANALYSIS | LIGAND | host-guest chemistry | GUESTS | CHEMISTRY, MULTIDISCIPLINARY | Online searching | Internet/Web search services | Databases | Database searching | Analysis
Journal Article
Acta Crystallographica Section B, ISSN 2052-5206, 04/2018, Volume 74, Issue 2, pp. 148 - 151
The harmonic oscillator model of aromaticity (HOMA) index, one of the most popular aromaticity indices for solid‐state benzene rings in the Cambridge... 
hydroxy groups | nitro groups | amino groups | formyl groups | HOMA | Cambridge Structural Database | benzene | aromaticity | RINGS | CRYSTALLOGRAPHY | CHEMISTRY, MULTIDISCIPLINARY | SUBSTITUENT | PI-ELECTRON DELOCALIZATION | INDEX | NITRO | Benzene | Databases | Histograms | Aromaticity | Price increases | Styrene | Hydrocarbons | Derivatives | Data bases | Harmonic oscillators
Journal Article
Acta Crystallographica Section C: Structural Chemistry, ISSN 2053-2296, 03/2017, Volume 73, Issue 3, pp. 287 - 297
The N-H...O hydrogen bond is the characteristic interaction in the crystal structures of N-benzyl-P-phenyl-N'-(p-tolyl)phosphonic diamide, C H N OP or (C H... 
crystal structure | positive/negative charge-assisted N - H...O hydrogen bonds | hydrogen bonding | Cambridge Structural Database | phosphorus compound | Phosphorus | Hydrogen bonds | Analysis | Data bases | Phosphorus compounds | Databases | Segments | Cations | Hydrogen bonding | Crystallography | Crystal structure
Journal Article
Journal of Applied Crystallography, ISSN 0021-8898, 10/2010, Volume 43, Issue Pt 5, pp. 1208 - 1223
The educational value of three-dimensional crystal structures in the Cambridge Structural Database (CSD) is discussed in the context of practical use cases and... 
Research Papers | WebCSD | Cambridge Structural Database | crystallographic education
Journal Article