Crystallographic data deposition

  • How do I deposit a structure in CCDC?

    Step by Step Guide to Depositing Data in the CSD

    1. Step 1: Sign In.
      2. You are first prompted to register/sign in to your CCDC account.
    2. Step 2: Upload
    3. Step 3: Check Syntax
    4. Step 4: Validation
    5. Step 5: Add Publication
    6. Step 6: Enhance Data
    7. Step 7: Review
    8. Step 8: Submit

  • How do I get my CIF file from CCDC number?

    When searching for data using the free Access Structures service, a successful search displays a summary page with a “Download” button to download the structure data in CIF format.
    Read and accept the conditions of use to activate the download feature..

  • What is CIF in crystal structure?

    Crystal structure data is often stored in a CIF file.
    This is a text file that contains the asymmetric unit of the crystal, the symmetries of the space group, and a reference to the source where the data was first published.
    It is important to check the publication to see the conditions used during the experiment..

  • Step by Step Guide to Depositing Data in the CSD

    1. Step 1: Sign In.
      2. You are first prompted to register/sign in to your CCDC account.
    2. Step 2: Upload
    3. Step 3: Check Syntax
    4. Step 4: Validation
    5. Step 5: Add Publication
    6. Step 6: Enhance Data
    7. Step 7: Review
    8. Step 8: Submit
  • When searching for data using the free Access Structures service, a successful search displays a summary page with a “Download” button to download the structure data in CIF format.
    Read and accept the conditions of use to activate the download feature.
Data can be deposited with the Cambridge Crystallographic Data Centre (CCDC) data deposited and issuing a Deposition Number for each structure. Structures 

How can a data deposition system be automated?

This was possible with the introduction of the new data deposition Web site (Fig

2) that allowed both manual and automatic uploads of data to the COD and after development of automated data collection and deposition software that deposits available structures to the COD automatically

What are data depositions with the CCDC & FIZ Karlsruhe?

Data depositions with the CCDC and FIZ Karlsruhe are of two main types: Data for Publication in a Scientific Journal: if your structure (s) are being/have been submitted for publication in a journal

We encourage all researchers to deposit data with us prior to publication of a paper, and include deposition information in their manuscript

What is a crystallographic database?

A first dedicated crystallographic database, the CSD, was established by the CCDC in 1965 (Groom and Allen 2014) to collect structures of small organic molecules and embraced computer-assisted methods for information storage and retrieval (Allen et al

1979 )

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