Crystallography Resources
What is Single Crystal X-ray diffraction...?
Crystallography Referee Access Structure
Forthcoming Crystallographic Meetings
SOP – Bruker Quest Diffractometer with sealed tube Mo source
Crystal growth-related papers and tutorials…
· Some thoughts about the single crystal growth of small molecules
· Growing crystals that will make your crystallographer happy
· Websites about crystallization
· Chemistry and crystal growth
· Crystal growth, evaluation and handling
· Crystal handling at low temperatures
· A simple method to perform liquid diffusion crystallization
· Crystallization of low-molecular-weight organic compounds for X-ray crystallography
· Solvents and X-ray crystallography
· Growth and characterization of small molecule organic crystals
· Crystals and crystal growing (book)
X-ray crystallography, crystal structure solution and refinement notes & tutorials…
· Crystallography teaching pamphlets IUCr
· Crystal structure refinement with SHELX
· Crystal structure refinement: a crystallographer's guide to SHELX
· Refinement of X-ray crystal structures
· New tricks of the trade for crystal structure refinement
· Solving & refining structures with WinGX
· Structure Solution and Refinement with Olex2
· Practical suggestions for better crystal structures
· Crystal structure determination: a critical view
Advanced single crystal analysis tutorials…
· Analysis of crystals twinned by non-merohedry (cell_now and twinabs are included)
· Treating non-merohedrally twinned crystal data
· Refinement of disorder with SHELXL
· Instruction for using PLATON squeeze for disorder
· Atomic form factors calculation
Powder diffraction, concept and tutorials…
· Ab initio structure determination via powder X-ray diffraction
· Principles and applications of powder diffraction (Book)
· Solving Crystal Structure from Powder Diffraction Data (Chapter)
· Powder structure determination through direct method
· Powder Diffraction Structure Determination and Refinement (Basic insight)
· IUCr newsletter: Structure determination from powder diffraction data
· Extinction symbols and corresponding space groups
Important software for crystallography and charge density computing…
· SHELX WinGX PLATON ORTEP Olex2 XSeed ShelXle XSHELL SAINT SADABS DirAx XPREP RLATT CELL_NOW TWINABS checkCIF enCIFer Mercury ConQuest Vista Structure Finder CellCheckCSD EXPO-2014 TOPAS TOPAS-Academic GSAS Reflex FullProf EXPO-2014 DASH TREOR DICVOL McMaille ChekCell PowderCell HKL5 Tools 2twin PIXEL Oscail NCImilano Crystal Explorer XD2016 MoPro AIMALL Chemcraft Avogadro VESTA Ghostscript GSview FinalCIF
Online Software...
· Lattice Pseudosymmetry Calculation
· Bravais Lattice Determination Interface
· Final CIF - Finalize CIF without hassle
· Crystal Toolkit (coordination environment)
· Anomalous Scattering Coefficients
Important websites and databases related to crystallography…
· Database of Educational Crystallographic Online Resources (DECOR)
· checkCIF
· CCDC
· Crystallography open database
· ICDD
· ICSD
· IUCr
· SHELX
· International tables for crystallography
· CrystaLinks - A crystallographer's miscellany
· Symmetry
· Absolute Structure Determination - Hooft
· Bilbao crystallographic server
· Crystal and structural chemistry, Utrecht University
· Council for scientific research - Crystallography
· Department of chemistry & biochemistry chemical crystallography laboratory - University of Oklahoma
· Finalize CIF files without hassle
· X-ray diffraction laboratory, TAMU
· Molecular and solid state physics (Crystallography, Spectroscopy and Solid-State Chemistry/Physics)
· Statistical descriptors in crystallography
· Crystallography for High-School Students
Video tutorials…
· LT SC-XRD simulated to RT powder pattern (Refinement for both thermal expansion and phase change)
· MIT Open Course-Ware: Introduction to Crystallography
· Single Crystal Diffractometer 3D Model
Advanced papers/notes/chapters...
· Computing Rcomplete and Tickle's conjecture
· Triplet and quartet relationships and the `positivity' postulate
. Location of Terminal Hydride Ligands in Transition Metal Hydrides
. The mean-square Friedel intensity difference in P1 with a centrosymmetric substructure
. Absolute structure and absolute configuration
. Reporting and evaluating absolute-structure and absolute-configuration determinations
. Topological Analysis using ToposPro
. Troublesome Crystal Structures: Prevention, Detection, and Resolution
. Distortions, deviations and alternative facts: reliability in crystallography
. Molecule-in-Cluster computations for Disorder
. A Beginner’s Guide to Radiation Damage
Crystal Picking & Mounting Tools & Oils...
. TAMU List by Joseph Reibenspies
. MiTeGen: Crystal Mounts and Loops
Microscopy...
. Birefringent Crystals in Polarized Light
General...
. JOES Judd Ofelt Software for Eu3+
. LUMPAC Judd Ofelt Software for all the lanthanides
Postdoctoral Fellowships...
. Miller Postdoctoral Fellowships
. CHASE Postdoctoral Fellowships
. Penn’s Provost’s Postdoctoral Fellowship [US citizens or permanent residents]
. CHOP Postdoctoral Fellowship [US citizens or permanent residents]
. PennPort Postdoctoral Fellowship [US citizens or permanent residents]
. Vagelos Institute Postdoctoral Fellowship
. NSF eFellow Postdoctoral Fellowship [US citizens or permanent residents]
. Agilent Postdoctoral Fellowships
. President's Postdoctoral Fellowship Program, UMN