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Acta Cryst. (2005). E61, o2610-o2612  [ doi:10.1107/S1600536805022476 ]


A. J. Robertson and D. J. Price

Online 20 July 2005

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level A PLAT761_ALERT_1_A CIF Contains no X-H Bonds ...................... ?
Author Response: All X-H bond lengths were constrained: These distances were fixed at 0.930 A for aryl-H bonds and 0.960 A for alkyl-H bonds. These constraints are discussed in the main text of the paper.
PLAT762_ALERT_1_A CIF Contains no X-Y-H or H-Y-H Angles ..........          ?
Author Response: As described above, the H atom position constraints fix these these angles. A deatiled accound of the constraints used appears in the main text.

Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.830 0.991 Tmin(prime) and Tmax expected: 0.971 0.991 RR(prime) = 0.855 Please check that your absorption correction is appropriate. PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.86 PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K
2 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 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 0 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 0 ALERT type 4 Improvement, methodology, query or suggestion

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