[Open access]

Acta Cryst. (2013). E69, i67-i68
[ doi:10.1107/S1600536813025907 ]

Na3.88Mo15Se19: a novel ternary reduced molybdenum selenide containing Mo6 and Mo9 clusters

D. Salloum, P. Gougeon and P. Gall


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? Check PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms .. ? PLAT125_ALERT_4_C No '_symmetry_space_group_name_Hall' Given ..... ? Do ! PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.2 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1
Alert level G PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? Check PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ... 2 Units 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) Mo1 -- Se4_b .. 13.7 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Mo1 -- Se1_d .. 7.3 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Mo1 -- Se2_f .. 6.7 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Mo2 -- Se3 .. 10.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Mo2 -- Se2_e .. 5.7 su PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 39 % PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: MO1 -- MO2 .. 3.52 Ang. PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: MO1 -- MO1 .. 3.83 Ang. PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: MO1 -- NA2 .. 3.86 Ang. PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: MO2 -- MO1 .. 3.52 Ang. PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: NA2 -- NA2 .. 3.60 Ang. PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: NA2 -- NA2 .. 3.60 Ang. PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: NA2 -- MO1 .. 3.86 Ang. PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: NA2 -- MO1 .. 3.86 Ang. PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed .. ! Info PLAT931_ALERT_5_G Check Twin Law ( 0 1 0)[ ] Estimated BASF 0.42
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 22 ALERT level G = General information/check it is not something unexpected 13 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster