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[Contents scheme]

Acta Cryst. (2012). E68, m1374
[ doi:10.1107/S1600536812040779 ]

[mu]-(2,2'-Bipyrimidine)-bis[dichloridopalladium(II)] dimethylformamide monosolvate

C. Young, A. Roodt and B. C. B. Bezuidenhoudt

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C CHEMW01_ALERT_1_C The ratio of given/expected molecular weight as calculated from the _chemical_formula_sum lies outside the range 0.99 <> 1.01 Calculated formula weight = 585.8686 Formula weight given = 578.8100 CHEMW01_ALERT_1_C The difference between the given and expected weight for compound is greater 1 mass unit. Check that all hydrogen atoms have been taken into account. PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ? PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of N22 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2
Alert level G FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C11 H13 Cl4 N5 O1 Pd2 Atom count from the _atom_site data: C11 H6 Cl4 N5 O1 Pd2 CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional? From the CIF: _cell_formula_units_Z 2 From the CIF: _chemical_formula_sum C11 H13 Cl4 N5 O Pd2 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 22.00 22.00 0.00 H 26.00 12.00 14.00 Cl 8.00 8.00 0.00 N 10.00 10.00 0.00 O 2.00 2.00 0.00 Pd 4.00 4.00 0.00 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 80 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 1 PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) . 1.24 Ratio PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ... 1
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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