Crystallographic raws data on RETRACTED: Ivanova, B. Crystallographic and Optical Spectroscopic Study of Metal–Organic 2D Polymeric Crystals of Silver(I)– and Zinc(II)–Squarates. Crystals 2024, 14, 905
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There are published, herein, crystallographic raws data on the entitled manusript (crystals-14-00905-v3.pdf), due to concerns by an anonymous reader regarding a reported crystal structure, therein, CCDC 2387639 (BI50.raw) (Table 2), due to its high R1-factor (R1=15.44). Despite the fact that the author has provided to the Editorial Office the completed datasets of measurable variables of the three crystals of structures listed in Table 2 together with PLATON ADDSYM test data on two crystallographic solutions by the author; thus, confirming the reliability of the data on together with the explanation that the high R1 factor could be a result from incompleted theta of 24.94, the paper has been retracked. The author provides to the interested readers the original raws of the discussed structures and the author's structural solution of the disputable structure of BI50.raw. There are uploaded files: BI83.raw (CCDC 771415) in C2/c BI42.raw (CCDC 2387641) in C2/c BI50.raw (CCDC 2387639) in Cc. In addition, there is novel structural solution of BI50.raw: B.Ivanova, CCDC 2409818: Experimental Crystal Structure Determination, 2024, [DOI: 10.5517/ccdc.csd.cc2lwm26], showing lower R1=13.56. BI50new1.cif, BI50new1.hkl, BI50new1.fcf, BI50new1.lst, and BI50new1.res correspond to structural solution of CCDC 2409818 (a second structural solution of BI50.raw). As in the case of CCDC 2387639 (the first structural solution of BI50.raw), the PLATON ADDSYM confirms the Cc space group type (consider BI50_in_Cc.pdf). Therefore, despite the fact that the R1 (13.56) is relatively high one, the reported structure is a reliable one. In addition, the retracked paper has reported a complete synthesis, theoretical and experimental cystallographic, vibrational and electronic absorption properties of three (3) novel crystals. Further, there has been carried out an in-depth theoretical analysis of the noncentrosymmetric properties of these crystals.



