2024 Large hirshfeld difference

Large hirshfeld difference

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August undefined, 2024

WebThe Hirshfeld surface analysis indicates that the most important contributions to the packing are from H H (33.5%), O H (34.1%) and C H (21.7%) contacts. Keywords: Schiff … WebAlert 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. …

checkCIF/PLATON report - King Abdullah University of Science …

http://muchong.com/html/201406/7528776.html WebPLAT234_ALERT_4_A Large Hirshfeld Difference N1 -- C8 .. 0.50 Ang. PLAT241_ALERT_2_A High ’MainMol’ Ueq as Compared to Neighbors of C7 Check PLAT242_ALERT_2_A Low … is jeff allen tim allen\u0027s brother

(IUCr) IUCr checkCIF procedure - International Union of …

WebLarge differences might indicate contamination of these parameters with other (unresolved) effects such as (substitutional) disorder, model or data errors and/or over … http://ecrystals.chem.soton.ac.uk/970/1/03src0132_checkcif.htm 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. PLAT234_ALERT_4_C Large Hirshfeld Difference C18 -- C53 .. 0.18 Ang. PLAT952_ALERT_1_C Reported and Calculated Lmax Values Differ by .. 2 Alert level G … kevin murphy anti gravity lotion 40ml

This week in history: Sex scientist Magnus Hirschfeld

Web0.20 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 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared … 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 … kevin murch phdWebThe 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 ... is jeff arcuri married

"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 . " - Large hirshfeld difference

Large hirshfeld difference

Supporting Information - American Chemical Society

WebTable S1 Representative 3d-4f complexes exhibiting large – Sm values. – Sm (J kg-1 K-1) H (T) Tmax (K) Ref. MnGd 23.5 7 2.7 1 Mn2Gd 24.8 5 2.4 This study Co3Dy 12.6 7 5 2 … 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. …

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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… WebPLAT234_ALERT_4_C Large Hirshfeld Difference C14 -- C15 .. 0.22 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C26 -- C27 .. 0.20 Ang. …

WebPLAT234_ALERT_4_B Large Hirshfeld Difference C131 -- C141 .. 0.28 Ang. PLAT234_ALERT_4_B Large Hirshfeld Difference C151 -- C161 .. 0.26 Ang. PLAT234_ALERT_4_B Large Hirshfeld Difference C162 -- C172 .. 0.26 Ang. PLAT234_ALERT_4_B Large Hirshfeld Difference C172 -- C182 .. 0.28 Ang. WebPLAT234_ALERT_4_C Large Hirshfeld Difference C8 -- C9 .. 0.10 Ang. 0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem. 47 5 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data ...

Web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。 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 . ...

WebPLAT234_ALERT_4_C Large Hirshfeld Difference N5 -- C11 .. 0.16 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference N6 -- C12 .. 0.16 Ang. …

WebPLAT234_ALERT_4_C Large Hirshfeld Difference C25 --C03J . 0.20 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C46 --C036 . 0.25 Ang. PLAT241_ALERT_2_C High ’MainMol’ Ueq as Compared to Neighbors of C037 Check PLAT241_ALERT_2_C High ’MainMol’ Ueq as Compared to Neighbors of C038 Check ... is jeevan shree maturity amount taxableWebPLAT234_ALERT_4_C Large Hirshfeld Difference C22 -- C23 .. 0.18 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C23 -- C24 .. 0.21 Ang. … is jeff bartos pro lifeWebPLAT234_ALERT_4_C Large Hirshfeld Difference C66 --C67 . 0.19 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C69 --C70 . 0.19 Ang. … is jeff a boy nameWebOct 17, 2024 · Hirshfeld charges ( Hirshfeld, 1977) are defined relative to the deformation density, this is the difference between the molecular and unrelaxed atomic charge … kevin murphy angels have wingsWebMay 11, 2024 · Large differences might indicate contamination of these parameters with other (unresolved) effects such as (substitutional) disorder, model or data errors and/or … kevin mundy sawtooth school for visual artWebLars Hirschfeld (born 1978), Canadian football goalkeeper. Ludwik Hirszfeld (Ludwig Hirschfeld, 1884–1954), Polish physician and immunologist. Magnus Hirschfeld … is jeff bauman marriedWeb0.17 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 ... kevin murnane research gate