[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m250-m251
[ doi:10.1107/S1600536813008751 ]

Pseudosymmetric fac-diaquatrichlorido[(dimethylphosphoryl)methanaminium-[kappa]O]manganese(II)

G. J. Reiss


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT111_ALERT_2_B ADDSYM Detects (Pseudo) Centre of Symmetry ..... 91 PerFi
Alert level G CHEMS02_ALERT_1_G Please check that you have entered the correct _publ_requested_category classification of your compound; FI or CI or EI for inorganic; FM or CM or EM for metal-organic; FO or CO or EO for organic. From the CIF: _publ_requested_category FI From the CIF: _chemical_formula_sum:C3 H15 Cl3 Mn1 N1 O3 P1 PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 6 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT033_ALERT_4_G Flack x Value Deviates .gt. 2*sigma from Zero .. 0.136 PLAT112_ALERT_2_G ADDSYM Detects Additional (Pseudo) Symm. Elem... m PLAT113_ALERT_2_G ADDSYM Suggests Possible Pseudo/New Space-group. P21/m PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Mn1 -- Cl3 .. 11.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Mn1 -- O2W .. 6.7 su PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 5 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 7
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 0 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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