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Acta Cryst. (2012). E68, m14-m15  [ doi:10.1107/S1600536811051841 ]

trans-Dichloridobis[dicyclohexyl(4-isopropylphenyl)phosphane-[kappa]P]platinum(II) acetone monosolvate

B. Vuba and A. Muller

Online 7 December 2011


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Alert level C THETM01_ALERT_3_C The value of sine(theta_max)/wavelength is less than 0.590 Calculated sin(theta_max)/wavelength = 0.5816 PLAT023_ALERT_3_C Resolution (too) Low [sin(theta)/Lambda < 0.6].. 63.73 Deg. PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.964 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.9 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.9 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pt1 -- P2 .. 5.4 su PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of C46 PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C3 - C4 ... 1.39 Ang. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C4 - C5 ... 1.37 Ang. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C24 - C25 ... 1.38 Ang. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C25 - C26 ... 1.39 Ang. PLAT410_ALERT_2_C Short Intra H...H Contact H3 .. H8A .. 1.99 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 10 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.582 249 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 21 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 19 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.03000 Deg. PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C8B PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C29B PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C8A PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C29A PLAT244_ALERT_4_G Low 'Solvent' Ueq as Compared to Neighbors of C45A PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 13 Perc. PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 75 Perc. PLAT432_ALERT_2_G Short Inter X...Y Contact C30A .. C30A .. 3.14 Ang. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 12 PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 218 PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed .. ! PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 78 Perc. PLAT931_ALERT_5_G Check Twin Law ( 1 0 0)[ ] Estimated BASF 0.24 PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ... 5
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 15 ALERT level C = Check. Ensure it is not caused by an omission or oversight 21 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 14 ALERT type 2 Indicator that the structure model may be wrong or deficient 11 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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