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Acta Cryst. (2012). E68, o52  [ doi:10.1107/S1600536811051518 ]

2,5-Bis(1,3-dithiol-2-ylidene)-1,3-dithiolane-4-thione

K. Ueda, K. Suzuki, K. Kunimoto and K. Yoza

Online 10 December 2011


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Alert level C PLAT125_ALERT_4_C No '_symmetry_space_group_name_Hall' Given ..... ? PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0094 Ang PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 7 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 23 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 79 Perc.
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 27.48 From the CIF: _reflns_number_total 4975 Count of symmetry unique reflns 3159 Completeness (_total/calc) 157.49% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1816 Fraction of Friedel pairs measured 0.575 Are heavy atom types Z>Si present yes PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 18 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 38 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 19 Perc. PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 421
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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