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The present volume continues the aim of Structure Reports to present critical accounts of all crystallographic structure determinations. Details of the arrange­ ment in the volumes, symbols used etc. are given in previous volumes (e. g. 41B or 42A, pages vi-viü). University of Guelph, G. FERGUSON Guelph, Ontario, Canada 1 May, 1993 STR UCTURE REPORTS for 1985 Volume52B Part2 STRUCTURE REPORTS for 1985 Valurne 52B (Part 2) ORGANIC SECTION General editor G. Ferguson Section editor G. Ferguson Published for the INTERNATIONAL UNION OF CRYSTALLOGRAPHY SPRINGER-SCIENCE+BUSINESS MEDIA, B. V. TABLE OF CONTENTS Introduction, VI Transition-metal Compounds (continued), 1103 Subject Index, 1902 Permuted Subject Index, 1993 Formula Index, 2053 Permuted Formula Index, 2078 Author Index, 2102 STRUCTURE REPORTS SECTIONID ORGANIC COMPOUNDS Edited by G. Ferguson with the assistance of C. H. Morgan D. F. Rendie S. J. Rettig S. N. Scrimgeour T. J. R. Weakley C. C. Wilson D. W. Young 2 ARRANGEMENT To find a particular organic or organometallic compound consult one of the indices (subject, permuted subject, formula or permuted formula) at the end of Part 2 of this volume. The general arrangement follows the classification used in the Cambridge Crystallographic Data Base and is: aliphatic or open chain compounds; open chains with N, S; benzene derivatives; c cyclic hydrocarbons; condensed ring systems; heterocyclic compounds; carbohydrates; amino acids; natural products; molecular complexes; organometallic compounds - B, Si, P, AJJ, Sb, groups lA, IIA, III, IV, VI; transition meta! complexes - . .

This volume contains most of the invited lectures of the 2nd Structural Chemistry Indaba on "Molecular Interactions," held at Skukuza, Kruger Park, South Africa, August 3- 8, 1997. While the 1995 conference concentrated more on the principles underlying molecular modeling, like the existence of a molecular shape, this conference centers on molecular interactions or, more generally, on molecules in environments. Unfortunately, it was impossible, for various reasons, to unite all invited lectures in this volume, but nevertheless this collection contains contributions ranging from the fundamental quantum mechanical theory to recent research on organometallic crystals. For a summary, I would like to refer the reader to the introductory chapter by S.O. Sommerer, based on his concluding remarks at the conference. WemerGans for the editors v CONTENTS Intermolecular Interactions ...S. O. Sommerer Intermolecular Bonding ...3 1. C. A. Boeyens Chemical Reactions in the Framework of Single Quantum Systems ...9 A. Amann The Molecule and Its Environment ...25 ...B. T. Sutcliffe Dynamic Aspects of Intermolecular Interactions ...49 ...1. F. Ogilvie Atomic Interactions and the Charge Density ...5 7 ...T. Koritsanszky 71 Cyclometallation of Alkylphosphines M. T. Benson and T. R. Cundari C-H-. *0 Hydrogen Bonds in Organometallic Crystals 83 D. Braga and F. Grepioni The Importance of Intra-and Intermolecular Weak Bonds in Transition Metal Coordination Compounds ...97 P. Comba Relationships between Experiment and Theory in the Study of Intermolecular Interactions ...111 ...