Important Texts, Documents, and Links
Crystal growth related papers and tutorials…
- Some thoughts about the single crystal growth of small molecules.
- Growing crystals that will make your crystallographer happy.
- Crystal growing.
- Websites about crystallization.
- Chemistry and crystal growth.
- Crystal growth, evaluation and handling.
- Crystal handling at low temperatures.
- Growing single crystals.
- Advice for crystallization.
- Crystallization in gels.
- 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.
- Crystallization (book).
- Crystals and crystal growing (book).
- Growing single crystals of small molecules by thermal recrystallization, a viable option even for minute amounts of material?
X-ray crystallography, crystal structure solution and refinement tutorials…
- Crystallography teaching pamphlets IUCr.
- What is a crystallographer?
- The SHELX manual.
- 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.
- 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).
- Refinement of disorder with SHELXL.
- Instruction for using PLATON squeeze for disorder.
Powder diffraction, concept and tutorials…
- Ab initio structure determination via powder X-ray diffraction.
- Direct space methods of structure determination from powder diffraction: principles, guidelines and perspectives.
- Principles and applications of powder diffraction (Book).
- Solving Crystal Structure from Powder Diffraction Data (Chapter).
- Powder structure determination through direct method.
- Tutorial on magnetic structure determination and refinement using neutron powder diffraction and FULLPROF.
- Powder Diffraction Structure Determination and Refinement (Basic insight).
- IUCr newsletter: Structure determination from powder diffraction data.
Important software for crystallography, quantum chemistry and charge density computing…
- SHELX
- WinGX
- PLATON
- ORTEP
- Olex2
- Mercury
- ConQuest
- Vista
- Diamond
- Crystal Explorer
- EXPO2014
- TOPAS
- Gaussian
- Spartan
- GaussView
- Chemcraft
- Avogadro
- AIMALL
- XD2016
Important websites and databases related to crystallography…
- checkCIF
- CCDC
- Crystallography open database.
- ICDD
- ICSD
- IUCr
- SHELX
- International tables for crystallography.
- X-ray data booklet.
- CrystaLinks – A crystallographer’s miscellany.
- Symmetry
- Bilbao Crystallographic Server.
Important journals of MOF chemistry…