Acta Cryst. (2004). E60, m1376-m1378  [ doi:10.1107/S1600536804021270 ]

Aquanitritobis(picolinato-²N,O)cobalt(III)

B.-Q. Chen, L. Han, Y. Xu, B.-L. Wu and M.-C. Hong

Online 11 September 2004

Key indicators

• Single-crystal X-ray study
• T = 130 K
• Mean (C-C) = 0.002 Å
• R factor = 0.030
• wR factor = 0.086
• Data-to-parameter ratio = 13.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Co1    -   N1      ..       5.08 su    
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          6     
            N2  -CO1 -N1  -C1    -58.10  1.70   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         11     
            N2  -CO1 -N1  -C5    125.30  1.70   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         16     
            N1  -CO1 -N2  -C7   -122.60  1.70   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         21     
            N1  -CO1 -N2  -C11    58.40  1.70   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         24     
            O4  -CO1 -O2  -C6     42.00  2.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         34     
            O7  -CO1 -N3  -O6    179.00100.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         39     
            O7  -CO1 -N3  -O5     -2.70  1.70   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         41     
            O2  -CO1 -O4  -C12   138.00  2.00   1.555   1.555   1.555   1.555   

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  11 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   9 ALERT type 4 Improvement, methodology, query or suggestion


checkCIF publication errors

Alert level A
PUBL003_ALERT_1_A  The contact author's name is missing,
            _publ_contact_author_name.

   1 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing

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