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Acta Cryst. (2012). E68, m6-m7  [ doi:10.1107/S1600536811051245 ]

Bis([mu]-ferrocenecarboxylato)bis[aquabis(ferrocenecarboxylato)methanolerbium(III)] methanol disolvate

J. Liu, Y. Li and D. Li

Online 3 December 2011


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checkCIF/PLATON results

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Alert level C PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings Differ ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.5 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C15 -- C16 .. 6.0 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C15 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 C21 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C22 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Fe3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O8 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0104 Ang PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 97
Alert level G PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Er1 -- O1_a .. 6.5 su PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 62 ER1 -C1 -C2 -C3 -23.00 3.00 2.656 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 65 ER1 -C1 -C2 -C6 147.60 1.90 2.656 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 68 ER1 -C1 -C2 -FE1 62.00 2.00 2.656 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 292 O5 -ER1 -C12 -C13 79.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 293 O1 -ER1 -C12 -C13 -178.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 294 O8 -ER1 -C12 -C13 6.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 295 O2 -ER1 -C12 -C13 -59.00 6.00 2.656 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 296 O7 -ER1 -C12 -C13 173.00 5.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 297 O3 -ER1 -C12 -C13 92.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 298 O4 -ER1 -C12 -C13 -93.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 299 O1 -ER1 -C12 -C13 -112.00 6.00 2.656 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 300 C1 -ER1 -C12 -C13 -85.00 6.00 2.656 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 303 ER1 -C12 -C13 -C14 96.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 306 ER1 -C12 -C13 -C17 -88.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 309 ER1 -C12 -C13 -FE3 -175.00 5.00 1.555 1.555 1.555 1.555 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 12 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 67 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 11 ALERT level C = Check. Ensure it is not caused by an omission or oversight 20 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 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 15 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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