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[Contents scheme]

Acta Cryst. (2012). E68, m1408-m1409
[ doi:10.1107/S1600536812043528 ]

Di-[mu]-carbonyl-bis[bis(triphenylphosphane)rhodium(0)](Rh-Rh) acetone disolvate

P. G. Gueorguieva, S. A. Laneman, G. G. Stanley, F. R. Fronczek and S. F. Watkins

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level B CHEMW03_ALERT_2_B WARNING: The ratio of given/expected molecular weight as calculated from the _atom_site* data lies outside the range 0.95 <> 1.05 From the CIF: _cell_formula_units_Z 4 From the CIF: _chemical_formula_weight 1427.16 TEST: Calculate formula weight from _atom_site_* atom mass num sum C 12.01 74.00 888.81 H 1.01 60.00 60.48 O 16.00 2.00 32.00 P 30.97 4.00 123.90 Rh 102.91 2.00 205.81 Calculated formula weight 1311.00
Alert level C PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ? PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ?
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:C80 H72 O4 P4 Rh2 Atom count from the _atom_site data: C74 H60 O2 P4 Rh2 CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G ALERT: Large difference may be due to a symmetry error - see SYMMG tests From the CIF: _cell_formula_units_Z 4 From the CIF: _chemical_formula_sum C80 H72 O4 P4 Rh2 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 320.00 296.00 24.00 H 288.00 240.00 48.00 O 16.00 8.00 8.00 P 16.00 16.00 0.00 Rh 8.00 8.00 0.00 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT044_ALERT_1_G Calculated and Reported Dx Differ .............. ? PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Rh1 -- C40 .. 9.1 su PLAT605_ALERT_4_G Structure Contains Solvent Accessible VOIDS of . 290 A   3 PLAT869_ALERT_4_G ALERTS Related to the use of SQUEEZE Suppressed ! PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 2 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 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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