Large hirshfeld difference
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Large hirshfeld difference
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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 C41 -- C46 .. 0.21 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C2B …
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 … WebLarge differences might indicate contamination of these parameters with other (unresolved) effects such as (substitutional) disorder, model or data errors and/or over …
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. … 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 ...
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WebPLAT234_ALERT_4_C Large Hirshfeld Difference N5 -- C11 .. 0.16 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference N6 -- C12 .. 0.16 Ang. … common core failedWebDIFMX02_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 ... common core factsWebPLAT234_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 … d\u0026d hunger of hadarWeb; _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 . d\u0026d iron bands of bilarroWebPLAT234_ALERT_4_C Large Hirshfeld Difference C14 -- C15 .. 0.22 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C26 -- C27 .. 0.20 Ang. … d\u0026d is gay but so am i so this tracksWebThis isosurface—the Hirshfeld surface—envelops the molecule, and defines the volume of space where the promolecule electron density exceeds that from all neighbouring molecules. It guarantees maximum proximity of neighbouring molecular volumes, but the volumes never overlap because of the nature of the weight function. common core first grade writing standardsWebThe 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… d\u0026d into the borderlands