Chemistry 4000 – Chemical Crystallography
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Carine
Tutorial from Chem2810 Space
Group Information (link to a separate page)
Symmetry Tutorial in HyperChem Crystallographic Computing (link to separate page)
Comprehensive Lecture
Notes Note: CIF files must be downloaded and used with Mercury
1.3 Software;
PDB files require RasWin,
while ENT files can be read by HyperChem 5.1 (Warning: do NOT use Mercury to
visualize PDB files or MCIF files)
Lecture 1 (PP Slides) Lecture 2 (PP Slides) Lecture 3 (PP Slides) Lecture 4 (PP Slides) Lecture 5 (PP Slides)
Lecture 6/7 (Lecture 6 PP Slides) (Lecture 7 PP Slides) Lecture 8 (Lecture 8 PP Slides) Lecture 9 (Lecture 9 PP Slides)
Lecture 10/11 (Lecture 10 Slides) (Lecture 11 Slides) Lecture 12 (Lecture 12 Slides) Lecture 13 (Lecture 13 Slides)
Lecture 14 Powder Spreadsheet Germanium model (Lecture 14 PP Slides) Lecture 15 (Lecture15 PP Slides)
Lecture 16 (Lecture 16 PP Slides) Lecture 17 (Lecture 17 PP Slides) CCD-Diffractometer Lecture 18
(Lecture 18 PP Slides) Lecture 19 (Lecture 19 PP Slides) Lecture 20 (Lecture 20 PP Slides) Lecture 21
Lecture 21 PP Slides Lecture 22 Lecture 22 PP Slides Lecture 23 Lecture 24 Lecture 25 CIF File Guide
Lecture
28 incl article CIF file for Lecture 28
Lecture 32
CaATPase.pdb
CaATPase.ent
Kevin
Johnson - Pericyclic Reactions in SS
Steve
Robbins - Absolute Structure Determination
Problem Sets and Answers Note: CIF and Excel files must be downloaded, not opened!
PS #1 Answers to PS #1* PS #2 Answers to PS #2 PS #3 Answers to PS#3
PS #4 Excel file 1D_Fourier BRODAC.cif Answers to PS#4 PS #5 Data Link for PS #5 Answers to PS#5*
PS #6 Chivers.cif Lichtblau.cif Robles.cif Wan&Verkade.cif Answers to PS #6*
* Files marked with asterisk may be too large for easy downloading over a slow connection - best viewed from the Campus network
Testing Note: CIF files must be downloaded and used with
Mercury Software
Answers Test#1 Answers Test#2 Carine Files: Anatase unit cell Polyhedron model 41 axis m plane
Answers Test#3
Answers Test #4 test4.hkl
test4.p4p Answers Test#5
test5.hkl
test5.p4p
Laboratory SHELXTL Users Manual
Lab01 Symmetry Lab02 Lattices Lab03 SpaceGroups Lab04 Powder XRD
Lab05 Massa Worked Example Private Data Lab06 Crystal Reports Lab07 Protein
Lab08 Databases and Disorder Lab08.hkl Lab08.p4p