[Cod-bugs] COD Data registration

Thu May 1 12:01:25 EEST 2025

Dear Dr. Sasaki,

than you for the thorough additional information about your depositions!

I have included XRDa links into the published structures that you 
mentioned below.

I also updated your on-hold depositions by adding the XRDa links that 
you have specified. These links should be automatically displayed on the 
COD Web site and in its databases as soon as you release the structure.

Please let us know if something needs to be fixed or does not work as 
expected.

Sincerely yours,
Saulius

On 2025-04-29 05:31, Toshiyuki Sasaki wrote:
>
> Dear Dr. Gražulis,
>
> I checked the data.
>
> Regarding the XRDa-00262, I will ask the person in charge of this 
> deposition to correct it as you mentioned(exchange CCDC and COD numbers).
>
> As for the order [1],
>
> We still have some of XRDa data for crystal structures deposited to COD.
>
> https://www.crystallography.net/cod/3000424.html
>
> XRD-00109         DOI: 10.51093/xrd-00109 
> <https://doi.org/10.51093/xrd-00109>
>
> https://www.crystallography.net/cod/3000438.html
>
> XRD-00125 DOI: 10.51093/xrd-00125 <https://doi.org/10.51093/xrd-00125>
>
> https://www.crystallography.net/cod/3000440.html
>
> https://www.crystallography.net/cod/3000441.html
>
> https://www.crystallography.net/cod/3000442.html
>
> XRD-00126          DOI: 10.51093/xrd-00126 
> <https://doi.org/10.51093/xrd-00126>
>
> https://www.crystallography.net/cod/3000471.html
>
> XRD-00262 DOI: 10.51093/xrd-00262 <https://doi.org/10.51093/xrd-00262>
>
>  (same with 3000472)
>
> The following structures are under submission.
>
> https://www.crystallography.net/cod/3000588.html
>
> XRD-00329 DOI: 10.51093/xrd-00329
>
> https://www.crystallography.net/cod/3000589.html
>
> XRD-00330           DOI: 10.51093/xrd-00330
>
> https://www.crystallography.net/cod/3000590.html
>
> https://www.crystallography.net/cod/3000591.html
>
> XRD-00331           DOI: 10.51093/xrd-00331
>
> Sincerely yours,
>
> Toshiyuki Sasaki
>
> **************************************************************
>
> 公益財団法人高輝度光科学研究センター
>
> (Japan Synchrotron Radiation Research Institute(JASRI))
>
> 回折・散乱推進室(Diffraction and Scattering Division)
>
> テニュアトラック研究員(Tenure-track researcher)
>
> 佐々木　俊之(Dr. Toshiyuki Sasaki)
>
> TEL: 050-3502-3649 (63430)
>
> 〒679-5198　兵庫県佐用郡佐用町光都1丁目1番1号
>
> (1-1-1, Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 Japan)
>
> **************************************************************
>
> *From:*Saulius Gražulis [mailto:grazulis at ibt.lt]
> *Sent:* Monday, April 28, 2025 8:55 PM
> *To:* Toshiyuki Sasaki <toshiyuki.sasaki at spring8.or.jp>
> *Subject:* Re: COD Data registration
>
> Dear Dr. Sasaki,
>
> I went through all previous e-mails that you have sent to me, and 
> added links to XRDa and missing R-factor data items to you entries in 
> the COD. May I ask you to have a look, time permitting, whether the 
> entries are in order [1].
>
> Also, I have noticed that one XRDa entry seems to point to a 
> non-existing COD record; CCDC also can not find the entry mentioned:
>
> From https://xrda.pdbj.org/entry/262 :
>
>     *XRDa entry DOI:*
>
>     	
>
>     10.51093/xrd-00262 <https://doi.org/10.51093/xrd-00262>
>
>     *Crystallography Open Database entry:*
>
>     	
>
>     3000472 <https://www.crystallography.net/cod/3000472.html>
>
>     *CCDC entry:*
>
>     	
>
>     2324553 <https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=2324553>
>
>     *Citation DOI:*
>
>     	
>
>     10.1021/acs.cgd.4c00856 <https://doi.org/10.1021/acs.cgd.4c00856>
>
>     *CCDC entry:*
>
>     	
>
>     3000471 <https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=3000471>
>
>     *Crystallography Open Database entry:*
>
>     	
>
>     2324549 <https://www.crystallography.net/cod/2324549.html>
>
> Could it be that in the second set of links the COD and the CCDC IDs 
> were exchanged?
>
> Sincerely yours,
> Saulius
>
> References:
>
> [1] Updated COD entries [2025-04-28T14:48+03:00]:
>
> https://www.crystallography.net/cod/3000559.html
>
> https://www.crystallography.net/cod/3000560.html
>
> https://www.crystallography.net/cod/3000561.html
>
> https://www.crystallography.net/cod/3000562.html
>
> https://www.crystallography.net/cod/3000470.html
>
> https://www.crystallography.net/cod/3000472.html
>
> https://www.crystallography.net/cod/3000474.html
>
> https://www.crystallography.net/cod/3000476.html
>
> https://www.crystallography.net/cod/3000450.html
>
> https://www.crystallography.net/cod/3000451.html
>
> On 2025-01-24 08:49, Toshiyuki Sasaki wrote:
>
>     Dear Dr. Saulius Gražulis,
>
>     The deposited CIF files (COD accession codes: 3000559–3000562)
>     were just released into publicly accessible repositories as
>     published data by adding publication information.
>
>     Published paper
>
>     Chem. Eur. J.  2025, 31, e202403427
>
>     DOI:     10.1002/chem.202403427
>
>     Link:
>     https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/chem.202403427
>
>     Here are DOI of XRDa (Xtal Raw Data Archive) and CCDC number:
>
>     3000559
>
>     XRDa
>
>     DOI:      10.51093/xrd-00269
>
>     Link: https://xrda.pdbj.org/entry/269
>
>     CCDC: 2376461
>
>     3000560
>
>     XRDa
>
>     DOI:      10.51093/xrd-00264
>
>     Link: https://xrda.pdbj.org/entry/264
>
>     CCDC: 2376462
>
>     3000561
>
>     XRDa
>
>     DOI: 10.51093/xrd-00265
>
>     Link: https://xrda.pdbj.org/entry/265
>
>     CCDC: 2376463
>
>     3000562
>
>     XRDa: Not registered
>
>     CCDC: 2376598
>
>     Sincerely yours,
>
>     Toshiyuki Sasaki
>
>     **************************************************************
>
>     公益財団法人高輝度光科学研究センター
>
>     (Japan Synchrotron Radiation Research Institute (JASRI))
>
>     回折・散乱推進室(Diffraction and Scattering Division)
>
>     テニュアトラック研究員(Tenure-track researcher)
>
>     佐々木　俊之(Dr. Toshiyuki Sasaki)
>
>     TEL: 050-3502-3649 (63430)
>
>     〒679-5198　兵庫県佐用郡佐用町光都1丁目1番1号
>
>     (1-1-1, Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 Japan)
>
>     **************************************************************
>
>
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> -- 
> Dr. Saulius Gražulis
> Vilnius University Institute of Biotechnology, Saulėtekio al. 7
> LT-10257 Vilnius, Lietuva (Lithuania)
> mobile: (+370-684)-49802, (+370-614)-36366
>
>
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-- 
Dr. Saulius Gražulis
Vilnius University Institute of Biotechnology, Saulėtekio al. 7
LT-10257 Vilnius, Lietuva (Lithuania)
mobile: (+370-684)-49802, (+370-614)-36366

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