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Acta Cryst. (2005). E61, m1512-m1513  [ doi:10.1107/S160053680502129X ]

Chloro[[eta]5-1-(dimethylaminoethyl)indenyl](triphenylphosphine)nickel(II) diethyl ether hemisolvate

A. Castonguay, A. L. Beauchamp, J. Vachon and D. Zargarian

Online 9 July 2005


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Alert level A THETM01_ALERT_3_A The value of sine(theta_max)/wavelength is less than 0.550 Calculated sin(theta_max)/wavelength = 0.5323
Author Response: Only very weak intensities were noted at high angles so the data were not collected above theta = 55.16 deg.
PLAT023_ALERT_3_A Resolution (too) Low [sin(th)/Lambda < 0.6].....      55.16 Deg.  
Author Response: Only very weak intensities were noted at high angles so the data were not collected above theta = 55.16 deg.
PLAT027_ALERT_3_A _diffrn_reflns_theta_full (too) Low ............      55.16 Deg.  
Author Response: Only very weak intensities were noted at high angles so the data were not collected above theta = 55.16 deg.

Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.98 PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.96 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.28 Ratio PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.66 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.57 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C61 - C62 .. 6.25 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 7
3 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 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

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