Acta Cryst. (2004). E60, m657-m658  [ doi:10.1107/S1600536804009237 ]

Bis[bis(2-pyridyl)methanediol-³N,N',O]copper(II) bis(adamantane-1-carboxylate)

M.-L. Tong, A.-J. Zhou and S. Hu

Online 24 April 2004

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.003 Å
• R factor = 0.043
• wR factor = 0.112
• Data-to-parameter ratio = 15.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.96       
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?

Alert level G
REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values
           From the CIF: _diffrn_reflns_theta_max           27.00
           From the CIF: _reflns_number_total               4078
           From the CIF: _diffrn_reflns_limit_ max hkl   29.   11.   19.
           From the CIF: _diffrn_reflns_limit_ min hkl  -26.  -14.  -19.
           TEST1: Expected hkl limits for theta max
           Calculated maximum hkl   31.   14.   19.
           Calculated minimum hkl  -31.  -14.  -19.

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   4 ALERT level C = Check and explain
   1 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
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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