Published March 14, 2023 | Version v1
Dataset Open

Copper Carbazole Diphosphonate - 2

Description

CAU-37-act

The following submission contains the data collection and processing for the sample CAU-37-act in the framework of the publication: Synthesis and Structure Evolution in Metal Carbazole Diphosphonates Followed by Electron Diffraction. Felix Steinke, Laura Gemmrich Hernandéz, Stephen J. I. Shearan, Maxi Pohlmann, Marco Taddei, Ute Kolb, and Norbert Stock. Inorganic Chemistry 2023 62 (1), 35-42.

Precession Electron Diffraction (PED) was used to collect the dataset on the target crystal. The dataset was processed with PETS2 and eADT software. The table below summarizes the data collection parameters for the dataset.

 

General information:

 

 

Project

 

NanED (www.naned.eu)

ESR Project

 

ESR8

Project Label

 

CAU-37

Sample Label

 

CAU-37-act

Data set Label

 

CuDPC_Cry6

 

 

 

Instrumental:

 

 

Instrument

 

FEI TECNAI F30 STWIN

Radiation source

 

FEG

Accelerating voltage

 

300 kV

Wavelength

 

0.0197 Å

Probe Type

 

Nanodiffraction

Beam Diameter

 

200nm

Beam Convergence

 

Semi-parallel beam

Detector

 

US4000 - CCD camera GATAN (16-bit) (bottom mounted)

Number of pixels in the image

 

2048 x 2048

Pixel size

 

15 µm x 15 µm

Camera Length / Effective Camera Length

 

1500 mm / 1500 mm

Calibration constant (not corrected for Effective Camera length)

 

0.00074 Å-1/pixel

 Hardware Binning

 

Sample description:

 

 

Name

 

CAU-37-act

Chemical composition

 

[Cu2(H2O)2(L)]∙2H2O]

3,6-diphosphono-9H-carbazole (H4L)

Sample source

 

Synthesized

Sample preparation

 

Grinded in an Agatha mortar and suspended in 1ml of EtOH. 4 µL of the suspension were dropped with a pipette on the carbon side of a carbon-coated copper grid (300 mesh).

Experimental:

 

 

Data Type

 

Electron diffraction data - 3D ED

Data collection method

 

Precession

Temperature (K) used during data collection

 

293 K

Number of crystals contributing to the data set

 

1

Number of experimental frames

 

121

tilt range, tilt step, tilt per frame

 

-60° to +60°, 1°, 0°

Precession angle

 

Exposure time per frame

 

4 s

 

 

 

Software:

 

 

Software used for the data collection

 

Gatan Digital Micrograph software

Software used for processing

 

PETS2 and eADT

 

 

 

Authorship and bibliography

 

 

Author(s) of the data

 

Laura Gemmrich Hernández (ESR8)

Related data

 

 CAU-37-as & CAU-57

Publication(s)

 

 https://doi.org/10.1021/acs.inorgchem.2c02599

 

 

 

Files and data formats

 

 

Image folder

 

img: Folder containing images of the diffraction pattern from each frame.

Image format

 

tiff_16bit_unsigned

 

 

 

Files

Files (474.6 MB)

Name Size Download all
md5:841b88b6ba2ded8d4c4950de865b2756
474.6 MB Download

Additional details

Funding

European Commission
NanED - Electron Nanocrystallography 956099
European Commission
SIRCIW - Strengthening International Research Capacity in Wales 663830