Large hirshfeld difference

Author: urca

August undefined, 2024

http://ecrystals.chem.soton.ac.uk/970/1/03src0132_checkcif.htm WebPLAT234_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 …

checkCIF/PLATON report

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checkCIF/PLATON report (basic structural check)

WebPLAT234_ALERT_4_C Large Hirshfeld Difference C14 -- C15 .. 0.22 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C26 -- C27 .. 0.20 Ang. … 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 ... http://ecrystals.chem.soton.ac.uk/792/1/97SRC241_checkcif.htm product protection shopee

(IUCr) [1,2-Bis(diphenylphosphino)-1,2-dicarba- closo

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. … http://ecrystals.chem.soton.ac.uk/792/1/97SRC241_checkcif.htm product protection veryWebThe 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 ... relax the back wedge seat cushion

"WebPLAT234_ALERT_4_A Large Hirshfeld Difference C34A -- C35A .. 0.33 Ang. PLAT723_ALERT_1_A Torsion Calc -149.00, Rep 15.00 Dev... 164.00 Sigma O18T-S6T -O17T-F17T 1.555 1.555 1.555 2.676 ... PLAT230_ALERT_2_C Hirshfeld Test Diff for N8B -- C40B .. 5.57 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O2B ... " - Large hirshfeld difference

Large hirshfeld difference

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 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 ...

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WebPLAT234_ALERT_4_B Large Hirshfeld Difference C01T --C022 0.28 Ang. PLAT234_ALERT_4_B Large Hirshfeld Difference C01U --C020 0.26 Ang. … WebMay 11, 2024 · Large differences might indicate contamination of these parameters with other (unresolved) effects such as (substitutional) disorder, model or data errors and/or …

Web0.16 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C61 -- C62 .. 0.20 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C66 -- C67 .. 0.20 Ang. PLAT234_ALERT_4_C Large Hirshfeld... WebLars Hirschfeld (born 1978), Canadian football goalkeeper. Ludwik Hirszfeld (Ludwig Hirschfeld, 1884–1954), Polish physician and immunologist. Magnus Hirschfeld …

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. … WebOct 17, 2024 · Hirshfeld charges ( Hirshfeld, 1977) are defined relative to the deformation density, this is the difference between the molecular and unrelaxed atomic charge …

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 …

WebPLAT234_ALERT_4_C Large Hirshfeld Difference C22 -- C23 .. 0.18 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C23 -- C24 .. 0.21 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C24 -- C25 .. 0.19 Ang. PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1 … product protect black and deckerWebPLAT234_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 ... product prototype maker onlineWebLarge differences might indicate contamination of these parameters with other (unresolved) effects such as (substitutional) disorder, model or data errors and/or over … product prototype maker freehttp://ecrystals.chem.soton.ac.uk/970/1/03src0132_checkcif.htm product prototype meaningWebPLAT234_ALERT_4_C Large Hirshfeld Difference Se1 --O5_h 0.19 Ang. PLAT241_ALERT_2_C High ’MainMol’ Ueq as Compared to Neighbors of O4 Check Alert level G PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 2 Report PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension 2 Info product prototyping servicesWebTable 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 … relax the back walnut creekWeb; _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 . product protection insurance