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Acta Cryst. (2010). E66, m1359  [ doi:10.1107/S1600536810038845 ]

Acetonitrilebis(2-methyl-1,10-phenanthroline)copper(II) tetrafluoridoborate

S. P. Watton

Online 2 October 2010


Key indicators

checkCIF/PLATON results

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Alert level A PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.94
Author Response: Several crystals were tried, all of which exhibited somewhat weak diffraction; this structure represents the best of the batch.

Alert level C REFLT03_ALERT_3_C Reflection count < 95% complete From the CIF: _diffrn_reflns_theta_max 34.67 From the CIF: _diffrn_reflns_theta_full 34.67 From the CIF: _reflns_number_total 5578 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 5960 Completeness (_total/calc) 93.59% PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 10 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of B1 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of B1B PLAT732_ALERT_1_C Angle Calc 121.6(3), Rep 121.56(14) ...... 2.14 su-Ra C6 -C5 -C4 1.555 1.555 1.555 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 370
Alert level G PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 6 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 50.00 Perc. PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... !
1 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 5 ALERT level G = General alerts; check 3 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 4 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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