CRYSTMET—The NRCC Metals Crystallographic Data File

CRYSTMET: a database of the structures and powder patterns of metals and intermetallics.

CRYSTMET is a database of critically evaluated crystallographic data for metals (including alloys, intermetallics and minerals) and associated bibliographic, chemical and physical information. Also included are simulated powder diffraction patterns for all of the entries. The database currently contains almost 70,000 entries and covers the literature exhaustively from 1922 to the present. The d...

Electronic nature of zwitterionic alkali metal methanides, silanides and germanides – a combined experimental and computational approach† †Electronic supplementary information (ESI) available: Experimental procedures, compound characterization data and computational data are provided. CCDC 926164, 1000501, 1000506, 1000507 and 1013011. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6sc02390h Click here for additional data file. Click here for additional data file.

Redox-promoted associative assembly of metal–organic materials† †Electronic supplementary information (ESI) available: Experimental procedures, compound characterization data, and X-ray crystallographic data for compounds 3–7 and 9–11. CCDC 1405641–1405645, 1429643, 1405647 and 1405648. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc02214b Click here for additional data file. Click here for additional data file.

We develop an associative synthesis of metal–organic materials that combines solid-state metal oxidation and coordination-driven self-assembly into a one-step, waste-free transformation. The methodology hinges on the unique reactivity of ortho-quinones, which we introduce as versatile oxidants for mechanochemical synthesis. Our strategy opens a previously unexplored route to paramagnetic metal–...

Reactivity of the copper(iii)-hydroxide unit with phenols† †Electronic supplementary information (ESI) available: Includes experimental details, synthesis and preparation of [Bu4N][NO2ArO] and [Bu4N][LCuNO2ArO], kinetic plots, and spectroscopic data (PDF), as well as X-ray crystallographic data for [Bu4N][LCuIIOArNO2] (CIF). CCDC 1491843. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6sc03039d Click here for additional data file. Click here for additional data file. Click here for additional data file.

Department of Chemistry, Center for Metals 207 Pleasant St. SE, Minneapolis, MN 5545 Department of Chemistry, Yale University, N E-mail: [email protected] † Electronic supplementary information details, synthesis and preparation of [B kinetic plots, and spectroscopic data (P data for [Bu4N][LCu OAr2] (CIF). CCDC data in CIF or other electronic format see ‡ These authors made equal contributi...

Large ring-forming alkylations provide facile access to composite macrocycles† †Electronic supplementary information (ESI) available: Fig. S1–S4, list of macrocycles prepared, experimental procedures, and spectroscopic data. CCDC 1023942. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4sc03848g Click here for additional data file. Click here for additional data file.

Macrocyclic compounds have potential to enable drug discovery for protein targets with extended, solventexposed binding sites. Crystallographic structures of peptides bound at such sites show strong surface complementarity and frequent aromatic side-chain contacts. In an effort to capture these features in stabilized small molecules, we describe a method to convert linear peptides into constrai...