From mmasif101 at gmail.com  Wed Dec  8 19:37:36 2021
From: mmasif101 at gmail.com (Dr. Malik Muhammad Asif Iqbal)
Date: Wed, 8 Dec 2021 22:37:36 +0500
Subject: [Cod-bugs] information please
Message-ID: <CAMnQ5_PfJpCQ5OV3QeKKcuLsqUdc6jQposziNT4nKuqP9ULZBA@mail.gmail.com>

Dear Sir,

Greetings.....!!!

Can you please help me in finding the crystallography of
the compounds mentioned in the following paper?

Geometric and Energetic Aspects of Aluminum Nitride Cages

   - Hai-Shun Wu
   <https://pubs.acs.org/action/doSearch?field1=Contrib&text1=Hai-Shun++Wu>
   ,
   - Fu-Qiang Zhang
   <https://pubs.acs.org/action/doSearch?field1=Contrib&text1=Fu-Qiang++Zhang>
   ,
   - Xiao-Hong Xu
   <https://pubs.acs.org/action/doSearch?field1=Contrib&text1=Xiao-Hong++Xu>
   ,
   - Cong-Jie Zhang
   <https://pubs.acs.org/action/doSearch?field1=Contrib&text1=Cong-Jie++Zhang>
   , and
   - Haijun Jiao
   <https://pubs.acs.org/action/doSearch?field1=Contrib&text1=Haijun++Jiao>

View Author Information
Cite this:
<https://pubs.acs.org/action/showCitFormats?doi=10.1021%2Fjp027300i&href=/doi/10.1021%2Fjp027300i>*J.
Phys. Chem. A* 2003, 107, 1, 204?209
Publication Date:December 5, 2002
<https://pubs.acs.org/doi/pdf/10.1021/jp027300i#>
https://doi.org/10.1021/jp027300i



Kind regards,

Malik Muhammad Asif Iqbal, Ph.D.
Assistant Professor (visiting faculty)
Department of Chemistry
University of Okara, Pakistan.
Email: mmasif101 at gmail.com
Mobile: 0092-300-795-3363

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From andrius.merkys at gmail.com  Thu Dec  9 09:51:39 2021
From: andrius.merkys at gmail.com (Andrius Merkys)
Date: Thu, 9 Dec 2021 09:51:39 +0200
Subject: [Cod-bugs] information please
In-Reply-To: <CAMnQ5_PfJpCQ5OV3QeKKcuLsqUdc6jQposziNT4nKuqP9ULZBA@mail.gmail.com>
References: <CAMnQ5_PfJpCQ5OV3QeKKcuLsqUdc6jQposziNT4nKuqP9ULZBA@mail.gmail.com>
Message-ID: <9b049fe4-02d7-e78c-0466-574edbd5bd32@gmail.com>

Hello,

On 2021-12-08 19:37, Dr. Malik Muhammad Asif Iqbal wrote:
> Can you please help me in finding the crystallography of
> the?compounds?mentioned in the following paper?

I assume by "crystallography" you mean the information usually found in
CIF files (unit cell parameters, symmetry information, atom
coordinates). Please correct me if I am wrong.

The paper you linked describes a theoretical computation. Thus its
results will not be available at the COD as the COD is an experimental
database. Theoretical structures are collected in the TCOD [1], but this
particular paper is most likely not represented there.

The supplementary material PDF seems to contain atom coordinates
(seemingly Cartesian), thus you may copy them from there. Alternatively,
I would advise contacting the authors of the paper.

[1] https://www.crystallography.net/tcod/

Hope this helps,
Andrius

-- 
Dr. Andrius Merkys
Vilnius University Institute of Biotechnology, Saul?tekio al. 7
LT-10257 Vilnius, Lithuania

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