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Acta Cryst. (2012). E68, o47-o48  [ doi:10.1107/S1600536811051683 ]

Tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate

J. Fábry, M. Fridrichová, M. Dusek, K. Fejfarová and R. Krupková

Online 7 December 2011


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Alert level B PLAT111_ALERT_2_B ADDSYM Detects (Pseudo) Centre of Symmetry ..... 81 PerFi
Alert level C PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings Differ ? PLAT161_ALERT_4_C Missing or Zero su (esd) on x-coordinate for ... P1 PLAT162_ALERT_4_C Missing or Zero su (esd) on y-coordinate for ... P1 PLAT163_ALERT_4_C Missing or Zero su (esd) on z-coordinate for ... P1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for P1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for P2 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.4 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.2 PLAT751_ALERT_4_C Bond Calc 1.54764, Rep 1.548(2) ...... Senseless su P1 -O11 1.555 1.555 # 1 PLAT751_ALERT_4_C Bond Calc 1.47520, Rep 1.4752(17) ...... Senseless su P1 -O12 1.555 1.555 # 2 PLAT751_ALERT_4_C Bond Calc 1.48502, Rep 1.4850(17) ...... Senseless su P1 -O13 1.555 1.555 # 3 PLAT751_ALERT_4_C Bond Calc 1.56018, Rep 1.5603(14) ...... Senseless su P1 -F1 1.555 1.555 # 4 PLAT752_ALERT_4_C Angle Calc 113.87, Rep 113.89(10) ...... Senseless su O11 -P1 -O12 1.555 1.555 1.555 # 1 PLAT752_ALERT_4_C Angle Calc 111.22, Rep 111.21(11) ...... Senseless su O11 -P1 -O13 1.555 1.555 1.555 # 2 PLAT752_ALERT_4_C Angle Calc 98.53, Rep 98.53(9) ...... Senseless su O11 -P1 -F1 1.555 1.555 1.555 # 3 PLAT752_ALERT_4_C Angle Calc 116.89, Rep 116.89(9) ...... Senseless su O12 -P1 -O13 1.555 1.555 1.555 # 4 PLAT752_ALERT_4_C Angle Calc 108.33, Rep 108.33(9) ...... Senseless su O12 -P1 -F1 1.555 1.555 1.555 # 5 PLAT752_ALERT_4_C Angle Calc 105.99, Rep 105.98(9) ...... Senseless su O13 -P1 -F1 1.555 1.555 1.555 # 6 PLAT752_ALERT_4_C Angle Calc 110.00, Rep 110(2) ...... Senseless su P1 -O11 -H1O11 1.555 1.555 1.555 # 7 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 330 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 77 Perc.
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 29.27 From the CIF: _reflns_number_total 4769 Count of symmetry unique reflns 2883 Completeness (_total/calc) 165.42% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1886 Fraction of Friedel pairs measured 0.654 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00300 Deg. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 25 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 22
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 22 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 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 3 ALERT type 3 Indicator that the structure quality may be low 17 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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