Acta Cryst. (2004). E60, m1284-m1285  [ doi:10.1107/S1600536804019919 ]

-Diphenylphosphido--hydrido-bis[carbonyl(⁵-cyclopentadienyl)iron(II)]

A. Decken, C. D. Craig and F. Bottomley

Online 21 August 2004

Key indicators

• Single-crystal X-ray study
• T = 198 K
• Mean (C-C) = 0.002 Å
• R factor = 0.017
• wR factor = 0.045
• Data-to-parameter ratio = 14.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT213_ALERT_2_C Atom C14A    has ADP max/min Ratio .............       3.70 prolat
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        Fe1     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      15.00 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           27.50
           From the CIF: _reflns_number_total               4609
           Count of symmetry unique reflns         2674
           Completeness (_total/calc)            172.36%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      1935
           Fraction of Friedel pairs measured     0.724
           Are heavy atom types Z>Si present          yes

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

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

Copyright © International Union of Crystallography
IUCr Webmaster