Acta Cryst. (2008). E64, m1382  [ doi:10.1107/S1600536808032364 ]

[Bis(diphenylphosphino)methane-²P,P'][bis(diphenylphosphinomethyl)diethoxysilane-²P,P']bis(dinitrogen)molybdenum(0) benzene 0.7-solvate

K. Klatt, C. Näther and F. Tuczek

Online 11 October 2008

Key indicators

• Single-crystal X-ray study
• T = 220 K
• Mean (C-C) = 0.008 Å
• Disorder in main residue
• R factor = 0.060
• wR factor = 0.144
• Data-to-parameter ratio = 16.5

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT220_ALERT_2_A Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       5.19 Ratio

PLAT241_ALERT_2_A Check High      Ueq as Compared to Neighbors for        C5'     

Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.96      
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.88 Ratio

Alert level C
            Value of measurement temperature given =   220.000
            Value of melting point given =     0.000
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    --  N1      ..       6.25 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    --  N3      ..       5.28 su   
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         O2     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C3     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C5     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       3.00 Perc.
PLAT413_ALERT_2_C Short Inter XH3 .. XHn     H75    ..  H6E     ..       2.13 Ang. 
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      82.00 A   3 
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT779_ALERT_4_C Suspect or Irrelevant (Bond) Angle in CIF ......      38.70 Deg. 
              C5'  -O2   -C5      1.555   1.555   1.555                        

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         20      
PLAT302_ALERT_4_G Anion/Solvent Disorder .........................      70.00 Perc.

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   9 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster