Acta Cryst. (2005). E61, m1890-m1893  [ doi:10.1107/S1600536805026887 ]

catena-Poly[[[tetraaquanickel(II)]--glycine-²O:O'] dinitrate]

M. Fleck and L. Bohatý

Online 31 August 2005

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.002 Å
• R factor = 0.030
• wR factor = 0.082
• Data-to-parameter ratio = 20.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct...          2       
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N2     
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.50       
PLAT354_ALERT_3_C Short   O-H Bond (0.82A)   O2W    -   H1W2   ...       0.70 Ang.  
PLAT354_ALERT_3_C Short   O-H Bond (0.82A)   O4W    -   H1W4   ...       0.71 Ang.  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          8       

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

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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
   2 ALERT type 4 Improvement, methodology, query or suggestion


checkCIF publication errors

Alert level A
PUBL022_ALERT_1_A There is a mismatched ~ on line 322
              'C~2~H~5~N~~2~.Li(NO~3~)'      5.59  5.90  8.66  92.1 92.79 97.1 'P\=1'     (a)
              If you require a ~ then it should be escaped
              with a \, i.e. \~
              Otherwise there must be a matching closing ~, e.g. C~2~H~4~
PUBL022_ALERT_1_A There is a mismatched ~ on line 323
              'C~2~H~5~N~~2~.Na(NO~3~)'     14.32  5.26  9.11  90 119.07 90    'Cc'
              If you require a ~ then it should be escaped
              with a \, i.e. \~
              Otherwise there must be a matching closing ~, e.g. C~2~H~4~
PUBL022_ALERT_1_A There is a mismatched ~ on line 325
              'C~2~H~5~N~~2~.Ag(NO~3~)'     5.45 19.49  5.54  90 100.20 90    'P2~1~'   (c)
              If you require a ~ then it should be escaped
              with a \, i.e. \~
              Otherwise there must be a matching closing ~, e.g. C~2~H~4~
PUBL022_ALERT_1_A There is a mismatched ~ on line 326
               'C~2~H~5~N~~2~.Ca(NO~3~)~2~.2H~2~O' 6.87 11.27 13.25  90 90 90
              If you require a ~ then it should be escaped
              with a \, i.e. \~
              Otherwise there must be a matching closing ~, e.g. C~2~H~4~
PUBL022_ALERT_1_A There is a mismatched ~ on line 328
               'C~2~H~5~N~~2~.Mg(NO~3~)~2~.4H~2~O' 9.23  6.78 19.05
              If you require a ~ then it should be escaped
              with a \, i.e. \~
              Otherwise there must be a matching closing ~, e.g. C~2~H~4~
PUBL022_ALERT_1_A There is a mismatched ~ on line 330
               'C~2~H~5~N~~2~.Ni(NO~3~)~2~.4H~2~O' 9.20  6.77 18.97
              If you require a ~ then it should be escaped
              with a \, i.e. \~
              Otherwise there must be a matching closing ~, e.g. C~2~H~4~
PUBL022_ALERT_1_A There is a mismatched ~ on line 332
               'C~2~H~5~N~~2~.Co(NO~3~)~2~.4H~2~O' 9.24  6.72 19.04
              If you require a ~ then it should be escaped
              with a \, i.e. \~
              Otherwise there must be a matching closing ~, e.g. C~2~H~4~
PUBL022_ALERT_1_A There is a mismatched ~ on line 334
               'C~2~H~4~N~~2~.Cu(NO~3~).H~2~O'     9.28  5.18 13.97
              If you require a ~ then it should be escaped
              with a \, i.e. \~
              Otherwise there must be a matching closing ~, e.g. C~2~H~4~

   8 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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