[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1344-m1345
[ doi:10.1107/S1600536812042092 ]

Tetrakis(5,7-dimethylquinolin-8-olato-[kappa]2N,O)zirconium(IV) dimethylformamide disolvate

M. Steyn, H. G. Visser and A. Roodt


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT214_ALERT_2_C Atom N31 (Anion/Solvent) ADP max/min Ratio 4.1 prola PLAT214_ALERT_2_C Atom C32C (Anion/Solvent) ADP max/min Ratio 4.4 prola PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.2 Ratio PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of N201 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 11
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 28.00 From the CIF: _reflns_number_total 11142 Count of symmetry unique reflns 5780 Completeness (_total/calc) 192.77% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 5362 Fraction of Friedel pairs measured 0.928 Are heavy atom types Z>Si present yes PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 15 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 20 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT244_ALERT_4_G Low 'Solvent' Ueq as Compared to Neighbors of N32 PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 50 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 1 PLAT794_ALERT_5_G Note: Tentative Bond Valency for Zr01 (IV) 4.23 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 299 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 6 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 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 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 5 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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