Understanding single-crystal X-ray crystallography:
Saved in:
| Main Author: | |
|---|---|
| Format: | Book |
| Language: | English |
| Published: |
Weinheim
Wiley-VCH
2010
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| Subjects: | |
| Online Access: | Inhaltstext Inhaltsverzeichnis |
| Physical Description: | XV, 807 S. Ill., graph. Darst. |
| ISBN: | 9783527327942 9783527326778 |
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Record in the Search Index
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CONTENTS FOREWORD XI PREFACE XIII ACKNOWLEDGEMENTS XVII 1 CRYSTAL
LATTICES 1 1.1 THE SOLID STATE 1 1.2 THE CRYSTAL LATTICE 5 1.2.1.
TWO-DIMENSIONAL LATTICES 5 1.2.2. THREE-DIRAENSIONAL LATTICES 7 1.3
VECTORS IN CRYSTALLOGRAPHY 10 1.3.1. GEOMETRIE VECTOR ADDITION AND
MULTIPLICATION 11 1.3.2. BASIS VECTORS AND COORDINATES 13 1.3.3.
ORTHONORMAL BASES 19 1.3.4. THE SCALAR PRODUCT IN AN ORTHONORMAL
COORDINATE SYSTEM . 22 1.3.5. THE VECTOR PRODUCT IN AN ORTHONORMAL
COORDINATE SYSTEM . 26 1.4 MATRICES IN CRYSTALLOGRAPHY 28 1.4.1. MATRIX
DEFINITIONS 28 1.4.2. MATRIX OPERATIONS 30 1.4.3. MATRIX TRANSFORMATIONS
32 1.4.4. THE DETERMINANT OF A MATRIX 36 1.4.5. THE INVERSE OF A MATRIX
41 1.4.6. THE RULES OF MATRIX ALGEBRA 44 1.4.7. THE EIGENVECTORS AND
EIGENVALUES OF A MATRIX 48 1.5 COORDINATE SYSTEMS IN CRYSTALLOGRAPHY 51
1.5.1. CHANGE OF BASIS 51 1.5.2. TRANSFORMATION FROM THE UNIT CELL BASIS
TO AN ORTHONORMAL BASIS 52 1.5.3. DETERMINING DISTANCES AND ANGLES IN
THE UNIT CELL 56 1.5.4. DETERMINING THE VOLUME OF THE UNIT CELL 59
1.5.5. IMPORTANT IDENTITIES 62 BIBLIOGRAFISCHE INFORMATIONEN
HTTP://D-NB.INFO/997573546 DIGITALISIERT DURCH V JUE CONTENTS 2 CRYSTAL
SYMMETRY 67 2. 1 SYMMETRY 67 2.2 SYMMETRY GROUP THEORY 70 2.2.1. SETS OF
SYMMETRY OPERATIONS 70 2.2.2. SYMMETRY GROUPS 75 2.3 POINT GROUPS 78
2.3.1. MOLECULAR POINT SYMMETRY 78 2.3.2. MATRIX REPRESENTATIONS OF
GROUPS 80 2.3.3. CHARACTER TABLES 83 2.3.4. LATTICE AND CRYSTAL POINT
SYMMETRY. THE HERMANN-MAUGUIN NOTATION 84 2.3.5. STEREOGRAPHIC
PROJECTIONS: CRYSTALLOGRAPHIC POINT SYMMETRY ELEMENTS 88 2.3.6. THE 32
CRYSTALLOGRAPHIC POINT GROUPS 94 2.3.7. THE SYMMETRY CLASSIFICATION OF
CRYSTAL SYSTEMS 107 2.4 SPACE GROUPS 119 2.4.1. TRANSLATIONAL SYMMETRY
119 2.4.2. CRYSTAL SPACE SYMMETRY 120 2.4.3. THE TRICLINIC SPACE GROUPS
126 2.4.4. THE MONOCLINIC SPACE GROUPS 128 2.4.5. THE ORTHORHOMBIC SPACE
GROUPS 162 2.4.6. THE TRIGONAL SPACE GROUPS 169 2.4.7. THE TETRAGONAL
SPACE GROUPS 175 2.4.8. THE HEXAGONAL SPACE GROUPS 180 2.4.9. THE CUBIC
SPACE GROUPS 184 2.4.10. GENERAL CONSIDERATIONS 189 3 CRYSTAL
DIFFRACTION: THEORY 195 3.1 ELECTROMAGNETIC RADIATION 195 3.1.1. THE
ELECTRIC FIELD 195 3.1.2. WAVES 196 3.1.3. PARTICLES 199 3.1.4.
INTERFERENCE 201 3.2 DIFFRACTION 204 3.2.1. THE RECIPROCAL LATTICE 209
3.2.2. X-RAY DIFFRACTION: THE DIFFRACTION EQUATION 225 3.2.3 CONTENTS IX
4.3.2. AREA DETECTORS 285 4.4 DETERMINING THE ORIENTATION MATRIX AND
UNIT CELL 289 4.5 REFMING THE ORIENTATION MATRIX AND UNIT CELL 296 4.6
DETERMINING THE BRAVAIS LATTICE 299 4.6.1. REDUCTION OF THE UNIT CELL
299 4.6.2. SEARCHING FOR HIGHER LATTICE SYMMETRY. 305 4.6.3. SYMMETRY OF
THE RECIPROCAL LATTICE 309 4.7 THE MEASUREMENT OF INTEGRATED INTENSITIES
313 4.7.1. REFIECTIONS 313 4.7.2. THE INTEGRATED INTENSITY. 315 4.7.3.
INTENSITIES FROM SERIAL DETECTORS 324 4.7.4. INTENSITIES FROM AREA
DETECTORS 326 4.7.5. LIMITS TO THE COLLECTION OF INTENSITY DATA 329 5
CRYSTAL DIFFRACTION: DATA 339 5.1 EXPERIMENTAL ERROR 339 5.1.1. RANDOM
ERROR 340 5.1.2. SYSTEMATIC ERROR 378 5.2 SCALING THE INTENSITY DATA 465
5.3 DETERMINING THE SPACE GROUP 471 5.3.1. SYSTEMATIC ABSENCES 472
5.3.2. INTENSITY STATISTICS 478 6 CRYSTAL STRUCTURE SOLUTION:
EXPERIMENTAL 497 6.1 THE PATTERSON FUNCTION 497 6.1.1. PATTERSON
SOLUTION: STRUCTURES WITHOUT HEAVY ATOMS 506 6.1.2. PATTERSON SOLUTION:
STRUCTURES WITH HEAVY ATOMS 515 6.1.3. PATTERSON SOLUTION: SEARCH
METHODS 527 6.2 OTHER EXPERIMENTAL METHODS 537 6.2.1. THE ISOMORPHOUS
REPLACEMENT METHOD 537 6.2.2. THE ANOMALOUS DISPERSION METHOD 545 6.3
COMPLETION OF THE STRUCTURAL SOLUTION: FOURIER METHODS 549 6.3.1.
ELECTRON DENSITY SYNTHESIS 550 6.3.2 INDEX 801 CONTENTS 8 CRYSTAL
STRUCTURE REFINEMENT 673 8.1 LINEAR LEAST SQUARES 673 8.1.1. WEIGHTED
LEAST SQUARES 678 8.1.2. ESTIMATION OF PARAMETER ERRORS 679 8.1.3.
CONSTRAINED LEAST SQUARES 688 8.1.4. RESTRAINED LEAST SQUARES 692 8.2
NON-LINEAR LEAST SQUARES: STRUCTURE REFINEMENT 693 8.2.1. WEIGHTS IN
REFINEMENT 698 8.2.2. ESTIMATION OF PARAMETER ERRORS IN REFINEMENT 703
8.2.3. REFINEMENT FIGURES OF MERIT 708 8.2.4. CONSTRAINED REFINEMENT 710
8.2.5. RESTRAINED REFINEMENT 722 8.2.6. THE REFINEMENT OF TWINNED
STRUCTURES 724 8.2.7. THE REFINEMENT OF CHIRAL STRUCTURES 726 8.3
MACROMOLECULAR REFINEMENT 729 8.3.1. HEAVY ATOM SOLUTIONS 729 8.3.2.
MOLECULAR REPLACEMENT SOLUTIONS 732 8.3.3. COMPLETION OF THE MODEL 734
8.3.4. REFINEMENT OF THE MODEL 737 APPENDIX A A GEOMETRIE DERIVATION OF
BRAGG'S LAW 747 B THE FOURIER TRANSFORM: ELECTRON DENSITY &: THE
STRUCTURE FACTOR 749 C DETERMINATION OF THE PHASE PARAMETER IN THE
AMPLITUDE REFIECTIVITY RATIO 753 D REFLECTION FROM A SINGLE PLANE 755 E
A DISCUSSION OF KINEMATICAL MODELS FOR EXTINCTION 763 F PROBABILITY
INTEGRALS: THE MODIFIED BESSEL FUNCTION 767 G MONTE CARLO OPTIMIZATION *
A SIMPLE EXAMPLE 773 H CONSTRAINED OPTIMIZATION 777 I TAYLOR SERIES 787
BIBLIOGRAPHY 789 |
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| spelling | Bennett, Dennis W. Verfasser aut Understanding single-crystal X-ray crystallography Dennis W. Bennett Weinheim Wiley-VCH 2010 XV, 807 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Crystal lattices X-ray crystallography Einkristall (DE-588)4013901-3 gnd rswk-swf Röntgenstrukturanalyse (DE-588)4137203-7 gnd rswk-swf Einkristall (DE-588)4013901-3 s Röntgenstrukturanalyse (DE-588)4137203-7 s DE-604 text/html http://deposit.dnb.de/cgi-bin/dokserv?id=3367578&prov=M&dok_var=1&dok_ext=htm Inhaltstext DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=018700487&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Bennett, Dennis W. Understanding single-crystal X-ray crystallography Crystal lattices X-ray crystallography Einkristall (DE-588)4013901-3 gnd Röntgenstrukturanalyse (DE-588)4137203-7 gnd |
| subject_GND | (DE-588)4013901-3 (DE-588)4137203-7 |
| title | Understanding single-crystal X-ray crystallography |
| title_auth | Understanding single-crystal X-ray crystallography |
| title_exact_search | Understanding single-crystal X-ray crystallography |
| title_full | Understanding single-crystal X-ray crystallography Dennis W. Bennett |
| title_fullStr | Understanding single-crystal X-ray crystallography Dennis W. Bennett |
| title_full_unstemmed | Understanding single-crystal X-ray crystallography Dennis W. Bennett |
| title_short | Understanding single-crystal X-ray crystallography |
| title_sort | understanding single crystal x ray crystallography |
| topic | Crystal lattices X-ray crystallography Einkristall (DE-588)4013901-3 gnd Röntgenstrukturanalyse (DE-588)4137203-7 gnd |
| topic_facet | Crystal lattices X-ray crystallography Einkristall Röntgenstrukturanalyse |
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