Crystal structure of MOF with Mercury Software using cif file - How to use MERCURY ccdc software2023

In this video, we will explore the crystal structure of a Metal-Organic Framework (MOF) using Mercury CCDC Software 2023. A MOF is a porous material made up of metal ions or clusters that are linked together by organic molecules. These structures have a wide range of applications in gas storage, catalysis, and drug delivery.
To begin, we will download the CIF file for the MOF we want to study. A CIF file is a standard format for crystallographic data and contains all the information needed to visualize and analyze the crystal structure. Once we have the CIF file, we will open it in Mercury CCDC software.
Mercury CCDC software is a powerful tool for visualizing and analyzing crystal structures. It has a user-friendly interface that allows us to manipulate and rotate the structure in 3D. We can also measure bond lengths, angles, and distances, and calculate the density and surface area of the structure.
In this video, we will show you how to use Mercury CCDC software to explore the crystal structure of a MOF. We will demonstrate how to navigate the software, adjust the settings, and analyze the structure. We will also show you how to use the different tools and functions available in the software to visualize and study the MOF.
By the end of this video, you will have a better understanding of how to use Mercury CCDC software to analyze crystal structures, particularly MOFs. You will be able to apply these skills to your own research and explore the fascinating world of crystallography.
So, if you want to learn more about the crystal structure of MOFs and how to use Mercury CCDC software, watch this video and join us on this exciting journey!

[@shijildamodharan2771]

Thanks 👍👍

[@user-ug5ln4vz1p]

Hello, This video is amazing. I am also proud of you because you told each and every things about software. Its amazing. I have one question, if i have new ligand which have not CIF file then what we can do for convert into CIF file.

[@smart_labs]

You need a molecular structure to convert into a .cif file. However that will not have proper bond lengths and angles. But you will have an 3-D orientation.

[@smart_labs]

Another way is to do a structure optimization by DFT studies (basic optimization) with software life avagardo

[@prashantborkar5187]

Hello sir, your video is very informative... Thank you 😊
I have question sir that ,can we see how the intermolecular hydrogen bonding occurs in two different molecules (different compound) in mercury software ?

[@smart_labs]

Yes , we can measure inter molecular hydrogen with mercury software only.. i will explain you in the next video

[@todaysneed9914]

Sir, how to overlay multiple structures? Overlay of two structures can be done in both mercury and olex. But how to do the same with more than two structures.

[@smart_labs]

You can do any no. of structures

[@todaysneed9914]

@@smart_labs are you sure? It's not possible to do with more than 2 structures. Pl explain if you did it.

[@user-jm4pr8ik9t]

Sir...how I can export high quality tiff image of crystal from Mercury?

[@hatembaabad7538]

How i can identify my family final formula of my structure

[@priyadharshinit3177]

Hello sir, Can i do with out JCPDS or CIF card number?

[@smart_labs]

Yes...its possible to do that

[@priyadharshinit3177]

@@smart_labs How sir?

[@sanaaessalmi9428]

Hello i have a question, how to use our data in mercury?