REFCODE: RABDUP

Authors/Journal
  Authors:           R.Minkwitz, R.Brochler, H.Preut
  Journal:           Z.Naturforsch.,B:Chem.Sci. , 51, 599, 1996
Chemical
  Formula:           2(C4 H12 N1 1+),2(Cl1 1-),C2 H3 N1,H2 O1
  Name:              bis(Tetramethylammonium chloride) acetonitrile clathrate monohydrate
  Synonym:           
  Source:            
  Melting Point:     
  Colour:            colorless
  Extra Information: 
Crystal
  Spacegroup:        Pnma (# 62)
  Cell Parameters:
    a:               16.229
    b:               6.713
    c:               15.112
    alpha:           90.0
    beta:            90.0
    gamma:           90.0
    volume:          1646.381
  Reduced Cell Parameters:
    a:               6.713
    b:               15.112
    c:               16.229
    alpha:           90.0
    beta:            90.0
    gamma:           90.0
    volume:          1646.381
  Other Parameters:
    Molecular Vol:   411.59525
    Residues:        4
    Z:               4.0
    Z':              0.5
  Additional Information:
    From:            
    Habit:           
    Polymorph:       
    Notes:           
Experimental
  R-Factor (%):      4.65
  Temperature:       171
  Density (CCDC):    1.123
  Density (author):  1.123
  Intensity Meas:    3
  Disorder:          
  Extra Information: 
  CCDC Notes: