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Acta Cryst. (2005). E61, m1620-m1622  [ doi:10.1107/S1600536805023111 ]

Tetrakis(1,4-dimethylpyridinium) dodecamolybdosilicate

X.-J. Tan, S.-X. Sun, L.-D. Liu, J.-P. Ma and D.-X. Xing

Online 27 July 2005


Key indicators

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Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.94 PLAT301_ALERT_3_B Main Residue Disorder ......................... 35.00 Perc. PLAT342_ALERT_3_B Low Bond Precision on C-C bonds (x 1000) Ang ... 42
Alert level C REFLT03_ALERT_3_C Reflection count < 95% complete From the CIF: _diffrn_reflns_theta_max 25.00 From the CIF: _diffrn_reflns_theta_full 25.00 From the CIF: _reflns_number_total 4474 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 4762 Completeness (_total/calc) 93.95% PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low .... 0.94 PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT088_ALERT_3_C Poor Data / Parameter Ratio .................... 9.26 PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.03 PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 3.43 Ratio PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors for C4B PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N1A PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C3A PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N1B PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C3B PLAT432_ALERT_2_C Short Inter X...Y Contact O19 .. C1B .. 2.98 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact O22 .. C4A .. 2.93 Ang.
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 13 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion

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