The content of this volume has been added to eMagRes (formerly Encyclopedia of Magnetic Resonance) - the ultimate online resource for NMR and MRI. The term "e;NMR Crystallography"e; has only recently come into common usage, and even now causes raised eyebrows within some parts of the diffraction community. The power of solid-state NMR to give crystallographic information has considerably increased since the CPMAS suite of techniques was introduced in 1976. In the first years of the 21st century, the ability of NMR to provide information to support and facilitate the analysis of single-crystal and powder diffraction patterns has become widely accepted. Indeed, NMR can now be used to refine diffraction results and, in favorable cases, to solve crystal structures with minimal (or even no) diffraction data. The increasing ability to relate chemical shifts (including the tensor components) to the crystallographic location of relevant atoms in the unit cell via computational methods has added significantly to the practice of NMR crystallography. Diffraction experts will increasingly welcome NMR as an allied technique in their structural analyses. Indeed, it may be that in the future crystal structures will be determined by simultaneously fitting diffraction patterns and NMR spectra. This Handbook is organised into six sections. The first contains an overview and some articles on fundamental NMR topics, followed by a section concentrating on chemical shifts, and one on coupling interactions. The fourth section contains articles describing how NMR results relate to fundamental crystallography concepts and to diffraction methods. The fifth section concerns specific aspects of structure, such as hydrogen bonding. Finally, four articles in the sixth section give applications of NMR crystallography to structural biology, organic & pharmaceutical chemistry, inorganic & materials chemistry, and geochemistry. About EMR Handbooks / eMagRes Handbooks The Encyclopedia of Magnetic Resonance (up to 2012) and eMagRes (from 2013 onward) publish a wide range of online articles on all aspects of magnetic resonance in physics, chemistry, biology and medicine. The existence of this large number of articles, written by experts in various fields, is enabling the publication of a series of EMR Handbooks / eMagRes Handbooks on specific areas of NMR and MRI. The chapters of each of these handbooks will comprise a carefully chosen selection of articles from eMagRes. In consultation with the eMagRes Editorial Board, the EMR Handbooks / eMagRes Handbooks are coherently planned in advance by specially-selected Editors, and new articles are written (together with updates of some already existing articles) to give appropriate complete coverage. The handbooks are intended to be of value and interest to research students, postdoctoral fellows and other researchers learning about the scientific area in question and undertaking relevant experiments, whether in academia or industry. Have the content of this Handbook and the complete content of eMagRes at your fingertips! Visit: wileyonlinelibrary.com/ref/eMagRes View other eMagRes publications here

The content of this volume has been added toeMagRes (formerly Encyclopedia of MagneticResonance) - the href="onlinelibrary.wiley.com/book/10.1002/9780470034590/homepage/rf_coils_virtual_issue.htm?cm=on-chem&cs=chem-analytic&cu=sitename-ln&cd=sitename-In-MRIgroup-VI"target="_blank">ultimate online resource for NMR and MRI.The term "NMR Crystallography" has only recently come intocommon usage, and even now causes raised eyebrows within some partsof the diffraction community. The power of solid-state NMR to givecrystallographic information has considerably increased since theCPMAS suite of techniques was introduced in 1976. In the firstyears of the 21st century, the ability of NMR to provideinformation to support and facilitate the analysis ofsingle-crystal and powder diffraction patterns has become widelyaccepted. Indeed, NMR can now be used to refine diffraction resultsand, in favorable cases, to solve crystal structures with minimal(or even no) diffraction data. The increasing ability to relatechemical shifts (including the tensor components) to thecrystallographic location of relevant atoms in the unit cell viacomputational methods has added significantly to the practice ofNMR crystallography. Diffraction experts will increasingly welcomeNMR as an allied technique in their structural analyses. Indeed, itmay be that in the future crystal structures will be determined bysimultaneously fitting diffraction patterns and NMR spectra.This Handbook is organised into six sections. The first containsan overview and some articles on fundamental NMR topics, followedby a section concentrating on chemical shifts, and one on couplinginteractions. The fourth section contains articles describing howNMR results relate to fundamental crystallography concepts and todiffraction methods. The fifth section concerns specific aspects ofstructure, such as hydrogen bonding. Finally, four articles in thesixth section give applications of NMR crystallography tostructural biology, organic & pharmaceutical chemistryinorganic & materials chemistry, and geochemistry.About EMR Handbooks / eMagResHandbooksThe Encyclopedia of Magnetic Resonance (up to 2012) andeMagRes (from 2013 onward) publish a wide range of onlinearticles on all aspects of magnetic resonance in physicschemistry, biology and medicine. The existence of this large numberof articles, written by experts in various fields, is enabling thepublication of a series of EMR Handbooks / eMagResHandbooks on specific areas of NMR and MRI. Thechapters of each of these handbooks will comprise a carefullychosen selection of articles from eMagRes. In consultationwith the eMagRes Editorial Board, the EMRHandbooks / eMagRes Handbooks are coherentlyplanned in advance by specially-selected Editors, and new articlesare written (together with updates of some already existingarticles) to give appropriate complete coverage. The handbooks areintended to be of value and interest to research studentspostdoctoral fellows and other researchers learning about thescientific area in question and undertaking relevant experimentswhether in academia or industry.Have the content of this Handbook and the complete content ofeMagRes at your fingertips!Visit: href="wileyonlinelibrary.com/ref/eMagRes">wileyonlinelibrary.com/ref/eMagResView other eMagRes publications href="onlinelibrary.wiley.com/book/10.1002/9780470034590/homepage/emagres_publications.htm"target="_blank">here

Contributors.Series Preface.Volume Preface.Part A: Introduction.1 Crystallography & NMR: an Overview (Robin K.Harris).2 Tensors in NMR (S. Chandra Shekar, AlexejJerschow).3 Computation of Magnetic Resonance Parameters for CrystallineSystems: Principles (Jonathan R. Yates, Chris J.Pickard).4 Experimental Characterization of Nuclear Spin InteractionTensors (Jeremy J. Titman).Part B: Chemical Shifts.5 Magnetic Shielding & Chemical Shifts: Basics (Julio C.Facelli, Anita M. Orendt).6 Symmetry Effects at the Local Level (Matthias BechmannAngelika Sebald).7 Chemical Shift Computations for Crystalline Molecular Systems:Practice (Robin K. Harris, Paul Hodgkinson, Chris J. PickardJonathan R. Yates, Vadim Zorin).8 Chemical Shifts & Solid-state Molecular-level Structure(Anita M. Orendt, Julio C. Facelli).9 Chemical Shift Anisotropy & Asymmetry: Relationships toCrystal Structure (James K. Harper).Part C: Coupling Interactions.10 Dipolar & Indirect Coupling: Basics (Roderick E.Wasylishen).11 Dipolar Recoupling: Heteronuclear (Christopher P.Jaroniec).12 Dipolar Recoupling: Homonuclear (Robert Tycko).13 Dipolar Coupling: Molecular-level Mobility (DetlefReichert, Kay Saalwächter).14 Spin Diffusion in Crystalline Solids (LyndonEmsley).15 Indirect Coupling & Connectivity (AnneLesage).16 Nuclear Quadrupole Coupling: An Introduction &Crystallographic Aspects (Sharon E. Ashbrook, StephenWimperis).Part D: Crystal Structure Determination using NMR.17 Fundamental Principles of NMR Crystallography (FrancisTaulelle).18 Interplay between NMR & Single-crystal X-ray Diffraction(Darren H. Brouwer).19 Combined Analysis of NMR & Powder Diffraction Data(Kenneth D.M. Harris, Mingcan Xu).20 Tensor Interplay (David L. Bryce).Part E: Properties of the Crystalline State.21 Intermolecular Interactions & Structural Motifs(Lindsay S. Cahill, Gillian R. Goward).22 Hydrogen Bonding in Crystalline Organic Solids (Steven P.Brown).23 Inorganic Non-stoichiometric Crystalline Systems & AtomicOrdering (Mark E. Smith).24 Rotational & Translational Dynamics (Christopher I.Ratcliffe).25 Intramolecular Motion in Crystalline Organic Solids (PaulHodgkinson).26 Structural Phase Transitions (Kenneth R. Jeffrey, Glenn H.Penner).Part F: Applications of NMR to Crystalline Solids.27 Structural Biology (David A. Middleton).28 Organic & Pharmaceutical Chemistry (Marek J.Potrzebowski).29 Inorganic & Materials Chemistry (Ray Dupree).30 Geochemistry (Brian L. Phillips).Index.