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Acta Cryst. (2013). E69, m402-m403  [ doi:10.1107/S1600536813016449 ]

Bis{3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]sulfanyl}ethyl)amino]-1H-1,2,4-triazol-4-ium} hexachloridobismuthate(III) nitrate dihydrate

G. M. G. Hossain


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Alert level B PLAT417_ALERT_2_B Short Inter D-H..H-D H4N .. H22 .. 2.02 Ang. PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 14
Alert level C PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of N19 PLAT420_ALERT_2_C D-H Without Acceptor N8 - H8B ... ? Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 34 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 5.02 PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00100 Deg. PLAT233_ALERT_4_G Hirshfeld (M-X Solvent) Bi1 -- Cl2 .. 5.5 su PLAT233_ALERT_4_G Hirshfeld (M-X Solvent) Bi1 -- Cl6 .. 5.5 su PLAT794_ALERT_5_G Note: Tentative Bond Valency for Bi1 (III) 3.25 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 24 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 80
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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