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Acta Cryst. (2005). E61, m1545-m1547  [ doi:10.1107/S1600536805021756 ]


S. Otto and A. Roodt

Online 13 July 2005

Key indicators

checkCIF/PLATON results

No syntax errors found

Datablock: I

Alert level A PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.91
Author Response: ...Completeness of 99.9% was achieved up to 29.0\%.

Alert level B PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C5
Alert level C CELLV02_ALERT_1_C The supplied cell volume s.u. differs from that calculated from the cell parameter s.u.'s by > 2 Calculated cell volume su = 15.22 Cell volume su given = 13.00 REFLT03_ALERT_3_C Reflection count < 95% complete From the CIF: _diffrn_reflns_theta_max 31.83 From the CIF: _diffrn_reflns_theta_full 31.83 From the CIF: _reflns_number_total 5693 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 6274 Completeness (_total/calc) 90.74% PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C11 -C16 1.37 Ang.
1 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

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