[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1739-o1740
[ doi:10.1107/S1600536813029565 ]

N1-(Thio­phen-2-ylmeth­yl)-N3,N3-bis­[3-(thio­phen-2-yl­methyl­ammonio)­prop­yl]propane-1,3-di­ammonium hexa­fluorido­silicate methanol tris­olvate

S. A. Haque, D. N. Cooper, D. R. Powell, R. Venkatraman and M. A. Hossain


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT417_ALERT_2_B Short Inter D-H..H-D H3F .. H5F .. 1.99 Ang. PLAT417_ALERT_2_B Short Inter D-H..H-D H3F .. H5C2 .. 2.07 Ang. PLAT726_ALERT_2_B H...A Calc 2.46000, Rep 2.43000 Dev... 0.03 Ang. H1F -F4D 1.555 1.455 # 127
Alert level C PLAT431_ALERT_2_C Short Inter HL..A Contact F5E .. S8C' .. 3.16 Ang. PLAT431_ALERT_2_C Short Inter HL..A Contact F5E .. S8A' .. 3.16 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H5A2 .. F4E .. 2.63 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H3F .. F4E .. 2.61 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.339 Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 2 PLAT976_ALERT_2_C Negative Residual Density at 1.07A from O5F . -0.78 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 42 Note PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 33 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 3 Why ? PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 48 Note PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 51 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 4 C H4 O PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! Info PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 642 Note PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 1 Why ? PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 56
0 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 11 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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