(IUCr) Crystallography Journals Online checkcif report

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Acta Cryst. (2003). E59, m942-m943 [ doi:10.1107/S1600536803020373 ]

Tris(-1,6-diaminohexane)diterephthalatotetrasilver(I) dihydrate

H.-L. Zhu, Z.-G. Wang, Y.-S. Lin, Y. Zou, L.-L. Tang and S.-C. Shao

Online 24 September 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R factor = 0.037
wR factor = 0.093
Data-to-parameter ratio = 15.6

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.97       

Alert level B
PLAT242_ALERT_2_B Check Low    U(eq) as Compared to Neighbors ....        C14     

Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT213_ALERT_2_C Atom N2      has ADP max/min Ratio .............       3.50 prolat
PLAT220_ALERT_2_C Large Non-Solvent    N     Ueq(max)/Ueq(min) ...       3.01 Ratio 
PLAT250_ALERT_2_C Large U3/U1 ratio for average U(i,j) tensor ....       2.31       
PLAT420_ALERT_2_C D-H Without Acceptor       N2     -   H2A    ...          ?       
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          9     
            N3  -AG1 -N1  -C9    -49.00  3.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         11     
            N1  -AG1 -N3  -C15  -131.00  3.00   1.555   1.555   1.555   1.555   
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2       
PLAT804_ALERT_4_C ARU-Pack Problem in PLATON Analysis ............          !

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 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
   5 ALERT type 4 Improvement, methodology, query or suggestion