READ ME This text describes the data presented in the paper: Two-Dimensional Frameworks Based on Ag(I)–N Bond Formation: Single Crystal to Single Molecular Sheet Transformation ======================== Introductory information ======================== Files included in the data deposit: 1) ./00_ligand-L1/ - 01_single_crystal_xrd/ - final refinement/ (Folder containing processed X-ray diffraction data for ligand L1) - raw_xrd_data/ (Folder containing raw X-ray diffraction frames that were collected for ligand L1) - 02_nmr/ - raw_nmr_data/ - 1/ (Folder containing raw proton NMR data for ligand L1) - 3/ (Folder containing raw carbon-13 NMR data for ligand L1) - processed_nmr_data.mnova (MestreNova file containing processed proton and carbon-13 NMR data for ligand L1) - 03_ftir.csv (Raw FTIR data) 2) ./01_compound_1/ - 01_single_crystal_xrd/ - final_refinement/ (Folder containing processed X-ray diffraction data for compound 1) - raw_xrd_data/ (Folder containing raw X-ray diffraction frames that were collected for compound 1) - 02_ftir.csv (Raw FTIR data) - 03_esi-ms.pdf (Electronic copy of printouts from ESI-MS for compound 1) 3) ./02_compound_2/ - 01_single_crystal_xrd/ - final_refinement/ (Folder containing processed X-ray diffraction data for compound 2) - raw_xrd_data/ (Folder containing raw X-ray diffraction frames that were collected for compound 2) - 02_ftir.csv (Raw FTIR data) - 03_esi-ms.pdf (Electronic copy of printouts from ESI-MS for compound 3) 3) ./03_compound_3/ - 01_single_crystal_xrd/ - final_refinement/ (Folder containing processed X-ray diffraction data for compound 3) - raw_xrd_data/ (Folder containing raw X-ray diffraction frames that were collected for compound 3) - 02_afm (Folder containing - 03_powder_xrd (Folder containing raw powder XRD data) - 03_ftir.csv (Raw FTIR data) - 04_esi-ms.pdf (Electronic copy of printouts from ESI-MS for compound 3) Explain the relationship between multiple data sets, if required: N/A Key words used to describe the data: Silver, 2D, framework, molecular sheet, exfoliation ========================== Methodological information ========================== A brief method description of what the data is, how and why it was collected or created, and how it was processed: Single crystal X-ray difraction (single crystal xrd) data: Single crystal xrd data was used to determine the molecular structure of compounds 1, 2 and 3 and ligand L1. The compounds were prepared in crystalline form for the technique. Cell refinement, data collection, and data reduction were undertaken via the software CrysAlisPro. Intensities were corrected for absorption analytically using a multifaceted crystal model created by indexing the faces of the crystal for which data were collected. All structures were solved using XT and refined by XL using the Olex2 interface. Hydrogen atoms were positioned with idealized geometry, with the exception of those bound to heteroatoms which were located from peaks in the Fourier difference map. The thermal parameters of the hydrogen atoms were constrained using the riding model with U(H) set at 1.2Ueq for the parent atom. Fourier transform infrared (FTIR) data: The FTIR data collected was used to identify the presence of particular functional groups of compounds 1, 2 and 3 and ligand L1, particular attention was payed to the imine stretch observed in all four compounds. Nuclear magnetic resonance spectroscopy (NMR) data: NMR data collected for ligand L1 was used to support the structural determination of the compound. Both proton and carbon-13 NMR data was collected for the compound. Electrospray ionization mass spectrometry (ESI-MS) data: Atomic force microscopy (AFM) data: Instruments, hardware and software used: Single crystal X-ray difraction - data for compounds 1, 2, and 3 were collected at 150 K on an Xcalibur, Atlas, Gemini ultra diffractometer equipped with a sealed X-ray tube (λCu Kα = 1.541 84 Å) and an Oxford Cryosystems CryostreamPlus open-flow N2 cooling device. Crystal structure data for L1 were collected at 120 K on a Bruker D8 Venture diffractometer equipped with a Photonic CMOS detector, microfocus sealed X-ray tube (λMo Kα = 0.710 73 Å) and an Oxford Cryosystems CryostreamPlus open-flow N2 cooling device. Fourier transform infrared (FTIR) spectra - recorded in air on a Shimadzu IRAffinity-1S or Varian 800 Scimitar Series. Nuclear Magnetic Resonance (NMR) spectra -recorded on a Bruker AC300 spectrometer at 300 MHz in deuterated chloroform (purchased from Sigma-Aldrich) and referenced to residual non-deuterated solvent (δ 7.26). High-resolution electrospray ionization mass spectrometry (ESI-MS) spectra - recorded on a Waters Micromass LCT Premier TOF mass spectrometer. Microanalyses were carried out by the Elemental Analysis Service in the School of Human Sciences, London Metropolitan University. Powder X-ray diffraction (XRD) data - collected using a Panalytical X’pert MPD equipped with an X’Celerator detector. Samples were mounted onto an oblique-cut Si wafer as the substrate. Atomic force microscopy (AFM) images were acquired in air using a MultiMode 8 atomic force microscope with a NanoScope V controller (Bruker). The microscope was controlled by Nanoscope software, version 9.1. The AFM was operated in ScanAsyst in air mode as a peak force tapping mode at ultralow forces to minimize damage to crystal surfaces. An isolation table (TMC) was used to reduce vibrational noise. The probes used for AFM were silicon tips on silicon nitride cantilevers (ScanAsyst, Bruker) with a nominal tip radius of approximately 2 nm, resonant frequency 150 kHz, and spring constant k = 0.7 N m−1. Date(s) of data collection: N/A Geographic coverage of data: N/A Data validation (how was the data checked, proofed and cleaned): N/A Overview of secondary data, if used: N/A ========================= Data-specific information ========================= Definitions of names, labels, acronyms or specialist terminology uses for variables, records and their values: XRD or xrd - X-ray diffraction NMR or nmr - Nuclear magnetic resonance FTIR or ftir - Fourier transform infrared spectroscopy ESI-MS or esi-ms - Electrospray ionization mass spectrometry AFM or afm - Atomic force microscopy Organic compounds: ligand, L1 - (1E,1′E)-N,N′-((1r,4r)-Cyclohexane-1,4-diyl)bis(1-(pyridin-3-yl)methanimine) Metal-organic coordination polymers: compound 1 - {[Ag(L1)(MeCN)](OTf)}n compound 2 - {[Ag(L1)(PF2O2)]·H2O}n compound 3 - {[Ag2(L1)(Tos)2]}n Explanation of weighting and grossing variables: N/A Outline any missing data: N/A ======= Contact ======= Please contact andrew.houlton@ncl.ac.uk for further information