2024 Large hirshfeld difference

Large hirshfeld difference

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August undefined, 2024

WebPLAT234_ALERT_4_B Large Hirshfeld Difference C01T --C022 0.28 Ang. PLAT234_ALERT_4_B Large Hirshfeld Difference C01U --C020 0.26 Ang. … WebThe three coordination complexes are almost identical; however, relevant differences in their environment are highlighted by Hirshfeld surface analysis. In particular, Mol 1 and Mol 3 are interacting with each other beside the interaction with PF 6 − and have a more similar environment with respect to Mol 2, which is in close contact with its ...

checkCIF/PLATON report

WebPLAT234_ALERT_4_C Large Hirshfeld Difference C66 --C67 . 0.19 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C69 --C70 . 0.19 Ang. … WebPLAT234_ALERT_4_C Large Hirshfeld Difference C25 -- C26 .. 0.16 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C38 -- C39 .. 0.23 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C41 -- C42 .. 0.17 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for N1 … pip install flask not working

checkCIF/PLATON report - Indian Academy of Sciences

WebPLAT234_ALERT_4_C Large Hirshfeld Difference C41 -- C46 .. 0.21 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C2B … WebPLAT234_ALERT_4_C Large Hirshfeld Difference N7 --C8 . 0.23 Ang. PLAT243_ALERT_4_C High ’Solvent’ Ueq as Compared to Neighbors of N7 Check PLAT243_ALERT_4_C High … WebPLAT234_ALERT_4_C Large Hirshfeld Difference Au2 --C1 . 0.16 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference Au7 --Cl2 . 0.17 Ang. PLAT332_ALERT_2_C Large Phenyl C-C Range C33 -C67 . ... PLAT260_ALERT_2_C Large Average Ueq of Residue Including Cl3 0.152 Check PLAT331_ALERT_2_C Small Aver Phenyl C-C Dist C5 --C42 . ... step up back up jump shot

checkCIF/PLATON report (basic structural check) - University of …

Hirshfeld charge analysis - TCM Group

WebPLAT234_ALERT_4_C Large Hirshfeld Difference C22 -- C23 .. 0.18 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C23 -- C24 .. 0.21 Ang. … Web; _vrf_PLAT230_P3121_anh_2 ; PROBLEM: Hirshfeld Test Diff for N7 --C12 . 8.0 s.u. RESPONSE: This alert results from slight disorder of ligand molecules and/or increased mosaicity of a crystal after solvent removal. ; _vrf_PLAT234_P3121_anh ; PROBLEM: Large Hirshfeld Difference N1P --C1P . pip install flask pythonWebAlert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 49 Perc. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C2 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 17 PLAT234_ALERT_4_C Large Hirshfeld Difference Os1 -- N1 .. 0.11 Ang. … pip install flatbuffers

"Web0.17 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference B23 -- B25 .. 0.15 Ang. PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C105 Alert level G FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from ... " - Large hirshfeld difference

Large hirshfeld difference

Hirshfeld surface analysis - CrystEngComm (RSC …

WebNoun: 1. Hirschfeld - United States artist noted for his line-drawn caricatures (1904-2003) WebPLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.11 PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 19.58 ... PLAT234_ALERT_4_C Large Hirshfeld Difference N9 -- C50 .. 0.18 Ang. Alert level G PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.12 ...

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Web0.16 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C9 -- C23 .. 0.17 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C10 -- C18 .. 0.16 Ang. … WebLars Hirschfeld (born 1978), Canadian football goalkeeper. Ludwik Hirszfeld (Ludwig Hirschfeld, 1884–1954), Polish physician and immunologist. Magnus Hirschfeld …

WebPLAT234_ALERT_4_C Large Hirshfeld Difference N1 --C7 . 0.17 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C7 --C8 . 0.20 Ang. PLAT241_ALERT_2_C High ’MainMol’ Ueq … WebApr 9, 2024 · The new compound based on mercury (II) (C 7 H 10 N) 2 ·(HgCl 2) 2 ·(Hg 2 Cl 6) 1 was described by numerous approach: X-ray diffraction (powder and single crystal), FT-IR, photoluminescence, UV–Vis, Hirshfeld surface analysis, thermal analysis, electric conductivity and finally a biological study was carried out through the antioxidant activity. …

http://cad4.cpac.washington.edu/structures/mayer/ahmad/AD02_4/checkCIF-PLATON%20report%20(publication%20check).htm http://ecrystals.chem.soton.ac.uk/792/1/97SRC241_checkcif.htm

WebThe suite of tools known as Hirshfeld surface analysis is the result of the combined efforts of a large number of collaborators. The original idea arose at the University of New England from discussions with Patrick Byrom, and early graphical development was undertaken by … In the last few years the analysis of molecular crystal structures using tools base… In 2008 we celebrated the 10th year of publication of CrystEngComm, and it was … The adsorption of gases on or in carbon nanotubes, 1a activated carbons, 1b zeoli…

http://muchong.com/html/201406/7528776.html step up basis on bondsWebDIFMX02_ALERT_1_C The maximum difference density is > 0.1*ZMAX*0.75 The relevant atom site should be identified. GOODF01_ALERT_2_C The least squares goodness of fit parameter lies ... PLAT234_ALERT_4_C Large Hirshfeld Difference Zr2 -- O3 .. 0.16 Ang. PLAT241_ALERT_2_C High ’MainMol’ Ueq as Compared to Neighbors of O3 Check ... pip install flask scriptWebPLAT234_ALERT_4_C Large Hirshfeld Difference N5 -- C11 .. 0.16 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference N6 -- C12 .. 0.16 Ang. … pip install flatbuffers 1.12 step up bathroom sceneWeb如题。求高手解析一个晶体结构。注：结构我已经大致解了一下，配体就是初解的配体。空间中有一个带负电的硝酸根定不下来，溶剂可能是甲醇和水分子（可能会有二氯甲烷）。要求：checkcif不能有A类和B类错误。由于小弟金币有限，只能拿出全部的304枚金币。 step up basis inherited homeWeb0.20 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C31 -- C32 .. 0.19 Ang. PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of C51 … step up basis on inherited real estateWebPLAT234_ALERT_4_C Large Hirshfeld Difference F9 -- C37 .. 0.22 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference F10 -- C38 .. 0.18 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C37 -- C38 .. 0.18 Ang. PLAT241_ALERT_2_C High ’MainMol’ Ueq as Compared to Neighbors of C12 Check … step up basis in build back better