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[Contents scheme]

Acta Cryst. (2013). E69, m231
[ doi:10.1107/S1600536813006831 ]

catena-Poly[[copper(I)-[mu]-2,6-bis[4-(pyridin-2-yl)thiazol-2-yl]pyridine] hexafluoridophosphate acetonitrile monosolvate] from single-crystal synchrotron data

L. Xiao, M. Bhadbhade and A. T. Baker


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B THETM01_ALERT_3_B The value of sine(theta_max)/wavelength is less than 0.575 Calculated sin(theta_max)/wavelength = 0.5685 PLAT023_ALERT_3_B Resolution (too) Low [sin(theta)/Lambda < 0.6].. 23.83 Deg.
Alert level C PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of P1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.568 11 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 6
Alert level G ABSMU01_ALERT_1_G Calculation of _exptl_absorpt_correction_mu not performed for this radiation type. PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 40 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 6 PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 89 F3' -P1 -F3 1.555 1.555 1.555 16.80 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 108 F4 -P1 -F4' 1.555 1.555 1.555 25.20 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 118 F5' -P1 -F5 1.555 1.555 1.555 22.40 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 121 F2' -P1 -F2 1.555 1.555 1.555 23.90 Deg. PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 86 Perc. PLAT984_ALERT_1_G The Cu-f'= 0.320 Deviates from the B&C-Value 0.328
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 11 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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