[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1526
[ doi:10.1107/S1600536812047733 ]

Di-[mu]-iodido-bis[(biphenyl-2-yl)(triphenylphosphane-[kappa]P)palladium(II)]

S. Brown and G. Crundwell


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.952 PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 21
Alert level C CELLV02_ALERT_1_C The supplied cell volume s.u. differs from that calculated from the cell parameter s.u.'s by > 2 Calculated cell volume su = 25.98 Cell volume su given = 22.00 PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.51 PLAT234_ALERT_4_C Large Hirshfeld Difference C3 -- C4 .. 0.18 Ang. PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C13 PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C13 -C18 1.37 Ang. PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0159 Ang PLAT731_ALERT_1_C Bond Calc 1.36(3), Rep 1.366(14) ...... 2 su-Ra C9 -C10 1.555 1.555 # 21 PLAT731_ALERT_1_C Bond Calc 1.38(3), Rep 1.385(13) ...... 2 su-Ra C11 -C12 1.555 1.555 # 25 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 10.019 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.181 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.87 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.56 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) I1 -- Pd1 .. 14.3 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) I1 -- Pd1_a .. 22.3 su PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 260
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 13 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 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 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster