Raw X-ray diffraction data for Thiourea at 130 K - Low temperature phase - non-modulated

Raw diffraction data for the crystal structure deposited at the CCDC with deposition number CCDC-2039156

The raw data are described in the README.txt file included in the ZIP archive.

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Content of README.txt file
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# SINGLE-CRYSTAL X-RAY DIFFRACTION DATA (RAW DATA) - STANDARD PHASE

## 1. GENERAL INFORMATION
Dataset Title: Raw X-ray diffraction data for Thiourea - Standard Phase
Author(s): Antonio L. Llamas-Saiz
Institution: University of Santiago de Compostela
Collection Date: 07-March-2019
Associated CCDC Identifier: CCDC-2039156

## 2. SAMPLE DESCRIPTION
Chemical Name: thiourea
Empirical Formula: CH4N2S
Crystal Habit: clear colourless prism
Crystal Dimensions: 0.107 x 0.052 x 0.031 mm

## 3. INSTRUMENTAL PARAMETERS
Diffractometer: Bruker D8 VENTURE PHOTON-III C14
X-ray Source: Mo-Kα (λ = 0.71073 Å)
Temperature: 130 K

## 4. DATA PROCESSING NOTES
Note on Structural State:
- At this specific temperature, the compound crystallizes in a standard (commensurate) phase.
- No satellite reflections or incommensurate modulation were observed in the diffraction patterns.
- Data integration and refinement were performed using standard 3D crystallographic methods.

## 5. DATASET CONTENTS
This repository includes the following files for structural reproduction in the "work" folder:

- 18MPC001T130K.hkl: Intensity data (standard reflections).
- 2_T130K_18MPC001_0m.p4p / .ls: Unit cell information and data reduction parameters.
- 18MPC001T130K.res / .ins: Final refinement instructions (SHELX).
- archive_18MPC001T130K.cif: Final Crystallographic Information File.
- mo_18MPC001_rampT160K_%%_%%%%.sfrm: Raw diffraction frames.

## 6. DATA PROCESSING
Data Reduction Software: SAINT V8.38A (Bruker AXS Inc., 2017)
Absorption Correction: SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
Structure Solution & Refinement: SHELXT 2018/2 (Sheldrick, 2015), SHELXL-2018/3 (Sheldrick, 2018)]
Refinement Model: Standard 3D structural model.

## 7. ADDITIONAL NOTES
This dataset represents the low-temperature / standard phase of the compound, provided for comparison with the modulated phases observed at intermediate temperatures.

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This README file is provided for the Zenodo dataset linked to the Cambridge Structural Database (CSD).