LEADER 05701nam 2200733 a 450 001 9911006689803321 005 20200520144314.0 010 $a1-5231-2125-4 010 $a0-19-921947-8 010 $a9786612349102 010 $a0-19-156994-1 010 $a1-282-34910-4 035 $a(CKB)2560000000298353 035 $a(EBL)693936 035 $a(OCoLC)480620155 035 $a(SSID)ssj0000293140 035 $a(PQKBManifestationID)11236764 035 $a(PQKBTitleCode)TC0000293140 035 $a(PQKBWorkID)10273219 035 $a(PQKB)11067897 035 $a(StDuBDS)EDZ0000072948 035 $a(MiAaPQ)EBC693936 035 $a(MiAaPQ)EBC7038585 035 $a(Au-PeEL)EBL7038585 035 $a(PPN)231956150 035 $a(OCoLC)781370522 035 $a(EXLCZ)992560000000298353 100 $a20090320d2009 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 00$aCrystal structure analysis $eprinciples and practice /$fAlexander J. Blake ... [et al.] ; edited by William Clegg 205 $a2nd ed. 210 $aOxford ;$aNew York $cOxford University Press$d2009 215 $a1 online resource (406 p.) 225 1 $aInternational Union of Crystallography book series ;$v13 300 $aDescription based upon print version of record. 311 08$a0-19-921946-X 311 08$a0-19-172251-0 320 $aIncludes bibliographical references and index. 327 $aContents; 1 Introduction to diffraction; 1.1 Introduction; 1.2 X-ray scattering from electrons; 1.3 X-ray scattering from atoms; 1.4 X-ray scattering from a unit cell; 1.5 The effects of the crystal lattice; 1.6 X-ray scattering from the crystal; 1.7 The structure-factor equation; 1.8 The electron-density equation; 1.9 A mathematical relationship; 1.10 Bragg's law; 1.11 Resolution; 1.12 The phase problem; 2 Introduction to symmetry and diffraction; 2.1 The relationship between a crystal structure and its diffraction pattern; 2.2 Translation symmetry in crystalline solids 327 $a2.3 Symmetry of individual molecules, with relevance to crystalline solids2.4 Symmetry in the solid state; 2.5 Diffraction and symmetry; 2.6 Further points; Exercises; 3 Crystal growth and evaluation; 3.1 Introduction; 3.2 Protect your crystals; 3.3 Crystal growth; 3.4 Survey of methods; 3.4.1 Solution methods; 3.4.2 Sublimation; 3.4.3 Fluid-phase growth; 3.4.4 Solid-state synthesis; 3.4.5 General comments; 3.5 Evaluation; 3.5.1 Microscopy; 3.5.2 X-ray photography; 3.5.3 Diffractometry; 3.6 Crystal mounting; 3.6.1 Standard procedures; 3.6.2 Air-sensitive crystals; 3.6.3 Crystal alignment 327 $a4 Space-group determination4.1 Introduction; 4.2 Prior knowledge and information other than from diffraction; 4.3 Metric symmetry and Laue symmetry; 4.4 Unit cell contents; 4.5 Systematic absences; 4.6 The statistical distribution of intensities; 4.7 Other points; 4.8 A brief conducted tour of some entries in International Tables for Crystallography, Volume A; Exercises; 5 Background theory for data collection; 5.1 Introduction; 5.2 A step-wise theoretical journey through an experiment; 5.3 The geometry of X-ray diffraction; 5.3.1 Real-space considerations: Bragg's law 327 $a5.3.2 Reciprocal-space considerations: the Ewald sphere5.4 Determining the unit cell: the indexing process; 5.4.1 Indexing: a conceptual view; 5.4.2 Indexing procedure; 5.5 Relating diffractometer angles to unit cell parameters: determination of the orientation matrix; 5.6 Data-collection procedures and strategies; 5.6.1 Criteria for selecting which data to collect; 5.6.2 How best to measure data: the need for reflection scans; 5.7 Extracting data intensities: data integration and reduction; 5.7.1 Background subtraction; 5.7.2 Data integration; 5.7.3 Crystal and geometric corrections to data 327 $aExercises6 Practical aspects of data collection; 6.1 Introduction; 6.2 Collecting data with area-detector diffractometers; 6.3 Experimental conditions; 6.3.1 Radiation; 6.3.2 Temperature; 6.3.3 Pressure; 6.3.4 Other conditions; 6.4 Types of area detector; 6.4.1 Multiwire proportional chamber (MWPC); 6.4.2 Phosphor coupled to a TV camera; 6.4.3 Image plate (IP); 6.4.4 Charge-coupled device (CCD); 6.5 Some characteristics of CCD area-detector systems; 6.5.1 Spatial distortion; 6.5.2 Non-uniform intensity response; 6.5.3 Bad pixels; 6.5.4 Dark current; 6.6 Crystal screening 327 $a6.6.1 Unit cell and orientation matrix determination 330 $aThis text focuses on the practical aspects of crystal structure analysis, and provides the necessary conceptual framework for understanding and applying the technique. By choosing an approach that does not put too much emphasis on the mathematics involved, the book gives practical advice on topics such as growing crystals, solving and refining structures, and understanding and using the results. The technique described is a core experimental method in modern structural chemistry,and plays an ever more important role in the careers of graduate students, postdoctoral and academic staff in chemis 410 0$aInternational Union of Crystallography texts on crystallography ;$v13. 606 $aX-ray crystallography 606 $aCrystals$xStructure 615 0$aX-ray crystallography. 615 0$aCrystals$xStructure. 676 $a548/.81 701 $aBlake$b Alexander J$01822938 701 $aClegg$b William$f1949-$01822939 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9911006689803321 996 $aCrystal structure analysis$94389392 997 $aUNINA