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Acta Cryst. (2011). E67, m919  [ doi:10.1107/S1600536811022185 ]

Di-[mu]-benzoato-[kappa]3O,O':O';[kappa]3O:O,O'-bis[(benzoato-[kappa]2O,O')(1,10-phenanthroline-[kappa]2N,N')cadmium]

H.-J. Li, Z.-Q. Gao and J.-Z. Gu

Online 18 June 2011


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Cd1 -- O1 .. 17.0 su PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for O4 PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C25
Alert level C PLAT148_ALERT_3_C su on the b - Axis is (Too) Large ........ 0.0110 Ang. PLAT213_ALERT_2_C Atom C17 has ADP max/min Ratio ..... 3.1 prola PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.7 Ratio PLAT234_ALERT_4_C Large Hirshfeld Difference C16 -- C17 .. 0.21 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O1 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O2 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O3 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C16 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C17 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C18 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Cd1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C13 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C14 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C21 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C24 PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C14 -C19 1.37 Ang. PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 9 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3
Alert level G PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 4 PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 10.25 PLAT194_ALERT_1_G Missing _cell_measurement_reflns_used datum .... ? PLAT195_ALERT_1_G Missing _cell_measurement_theta_max datum .... ? PLAT196_ALERT_1_G Missing _cell_measurement_theta_min datum .... ? PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cd1 -- O2 .. 6.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cd1 -- O3 .. 6.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cd1 -- O4 .. 7.0 su PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 24
0 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 19 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 22 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 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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