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Acta Cryst. (2013). E69, m288-m289
[ doi:10.1107/S160053681301088X ]

cyclo-Tetrakis([mu]2-D-penicillaminato-[kappa]4N,S:O,S)tetrapalladium(II) 9.75-hydrate

A. Yokoi, N. Yoshinari and T. Konno


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT417_ALERT_2_B Short Inter D-H..H-D H21G .. H30G .. 2.04 Ang. PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 12
Alert level C PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ? PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms .. ? PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.23 PLAT417_ALERT_2_C Short Inter D-H..H-D H6 .. H28G .. 2.12 Ang. PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 46 A   3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 13 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 64 Perc. PLAT976_ALERT_2_C Negative Residual Density at 0.79A from O32 . -0.55 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 63 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 16 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Pd8 -- S7 .. 6.8 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Pd8 -- S8 .. 5.2 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Pd8 -- N8 .. 5.8 su PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 8 Perc. PLAT791_ALERT_4_G Note: The Model has Chirality at C2 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C7 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C12 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C17 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C22 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C27 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C32 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C37 (Verify) S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 67 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 33
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 19 ALERT level G = General information/check it is not something unexpected 3 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 4 ALERT type 3 Indicator that the structure quality may be low 11 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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