[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1574-m1575
[ doi:10.1107/S1600536812048702 ]

[mu]-Carbonato-[kappa]4O,O':O',O''-bis{[2'-(di-tert-butylphosphanyl)biphenyl-2-yl-[kappa]2P,C1]palladium(II)} dichloromethane monosolvate

A. Muller and C. W. Holzapfel


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.1 Ratio PLAT411_ALERT_2_C Short Inter H...H Contact H5 .. H23 .. 2.13 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 7 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 7 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00200 Deg. PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Pd1 -- O1 .. 7.2 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Pd1 -- C41 .. 6.9 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Pd2 -- P2 .. 5.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Pd2 -- O3 .. 5.7 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Pd2 -- C41 .. 6.1 su PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 6 Perc. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 78 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 18
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 12 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 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 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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