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Science, ISSN 0036-8075, 08/2005, Volume 309, Issue 5739, pp. 1350 - 1354
Journal Article
Acta Crystallographica Section A, ISSN 2053-2733, 01/2015, Volume 71, Issue 1, pp. 59 - 75
This paper describes the mathematical basis for olex2.refine, the new refinement engine which is integrated within the Olex2 program. Precise and clear... 
restraints | Olex2 | refinement | constraints | least squares | small molecules | CIF | CHEMISTRY, MULTIDISCIPLINARY | CRYSTALLOGRAPHY | Constraints | Computation | Mathematical analysis | General overviews | Derivatives | Anatomy | Physical properties | Engines | Displacement
Journal Article
Journal of Applied Crystallography, ISSN 1600-5767, 04/2009, Volume 42, Issue 2, pp. 339 - 341
New software, OLEX2, has been developed for the determination, visualization and analysis of molecular crystal structures. The software has a portable... 
computer programs | metadata | graphical user interfaces | visualization and analysis | data harvesting | OLEX2 | Metadata | Data harvesting | Visualization and analysis | Computer programs | Graphical user interfaces | CRYSTALLOGRAPHY | Structure | Crystals | Software | Molecular biology | User interface | Crystallography | Crystal structure
Journal Article
CrystEngComm, 07/2016, Volume 18, Issue 28, pp. 5333 - 5337
Hydrogen bonding from a urea group to hydrogen bond acceptor anions can adopt either R super(1) sub(2)(6) or R super(2) sub(2)(8) motifs depending on the... 
Anions | Proximity | Hydrogen bonds | Chemical bonds | Ureas | Ligands | Hydrogen bonding | Polymorphism
Journal Article
Science, ISSN 0036-8075, 8/2005, Volume 309, Issue 5739, pp. 1350 - 1354
The primary adsorption sites for Ar and N within metal-organic framework-5, a cubic structure composed of units and phenylene links defining large pores 12 and... 
Molecules | Gases | Cubic crystals | Adsorption | Materials | Crystals | Weight loss | Atoms | Reports | Electron density | Zinc | STORAGE | HYDROGEN | DESIGN | COORDINATION POLYMER | METHANE | DIFFUSIVITY | MULTIDISCIPLINARY SCIENCES | NEUTRON-SCATTERING | X-RAY-DIFFRACTION | INCLUSION | MOLECULES | Absorption and adsorption | Ores | Analysis | Research | Chemical properties | Zeolites | Zinc oxides | Diffraction | Metals
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 07/2012, Volume 134, Issue 29, pp. 11940 - 11943
A 3D hybrid zinc formate framework, [NH4][Zn(HCOO)3], possessing an acs topology, shows a high degree of mechanical anisotropy and negative linear... 
PORE-SIZE | HIGH-PRESSURE | NANOINDENTATION | X-RAY | DIFFRACTION | MECHANICAL-PROPERTIES | ANISOTROPY | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Crystal Growth & Design, ISSN 1528-7483, 11/2016, Volume 16, Issue 11, pp. 6682 - 6682
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 06/2001, Volume 40, Issue 11, pp. 2168 - 2171
Direct borylation of C−H bonds in aromatic compounds can be achieved by using the efficient homogeneous catalyst precursor [RhCl(PiPr3)2(N2)] and pinacolborane... 
C−H activation | homogeneous catalysis | phosphanes | boron | rhodium | ALKENES | ACTIVATION | HYDROCARBONS | HYDROBORATIONS | X-RAY | CATECHOLBORANE | REACTIVITY | METAL BORYL COMPLEXES | CHEMISTRY, MULTIDISCIPLINARY | ALKANES
Journal Article
New Journal of Chemistry, ISSN 1144-0546, 2018, Volume 42, Issue 22, pp. 18028 - 18037
The spin crossover behaviour of [Fe(abpt)(2)(NCSe)(2)] (abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole) polymorph A has been examined using single crystal... 
SYSTEM | TEMPERATURE | LIGANDS | COMPLEXES | STATE | TRANSITIONS | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
CrystEngComm, 08/2014, Volume 16, Issue 36, pp. 8413 - 8420
A series of disubstituted urea, thiourea and dansyl amide calix[4]arene based anion receptors have been prepared and characterised by X-ray crystallography.... 
Binding | Anions | Receptors | Balancing | X-rays | Amides | Ureas | Hydrogen bonding
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 03/2012, Volume 51, Issue 6, pp. 3813 - 3826
A family of complexes (1a-3a and 1b-3b) was prepared, having the structure Ir(N∧C∧N)(N∧C)Cl. Here, N∧C∧N represents a terdentate, cyclometallating ligand... 
Journal Article
Dalton Transactions, ISSN 1477-9226, 08/2015, Volume 44, Issue 32, pp. 14341 - 14348
Reactions of the vinylidene complexes [M(&z.dbd; C&z.dbd; CH sub(2))(PP)Cp']PF sub(6) with NH sub(3) readily afford the acyclic amino carbene complexes... 
Vinylidene | Spectroscopy | Electronic structure | Computation | Carbenes | Crystallography
Journal Article