#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005012.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2005012
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    'C52'
_journal_page_first     1554
_journal_page_last     1556
_publ_section_title
;
1,3-Dicyclohexyl-2,4-bis(cyclohexylimino)-1,3-diazetidine: Dimer of
Dicyclohexylcarbodiimide
;
_chemical_formula_sum     'C26 H44 N4'
_chemical_formula_weight     412.65
_symmetry_cell_setting    'monoclinic'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
_symmetry_space_group_name_H-M    'P21/c'
_cell_length_a     10.1660(10)
_cell_length_b     12.2060(10)
_cell_length_c     20.873(2)
_cell_angle_alpha     90.00
_cell_angle_beta     102.200(10)
_cell_angle_gamma     90.00
_cell_volume     2531.6(4)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     1.083
_cell_measurement_temperature     223(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
N1 1  .27951(10)  .19663(9)  .23047(5)  .0281(2)
N2 1  .23014(10)  .04595(9)  .26220(5)  .0275(2)
C3 1  .34158(12)  .11906(10)  .27872(6)  .0269(3)
C4 1  .16792(12)  .12412(10)  .21402(6)  .0273(3)
N5 1  .44586(10)  .11237(9)  .32302(5)  .0305(3)
N6 1  .06243(10)  .13226(9)  .17059(5)  .0309(3)
C11 1  .34254(12)  .24940(10)  .18091(6)  .0279(3)
H11 1  .42895(12)  .28185(10)  .20385(6)  .033
C12 1  .25304(14)  .34185(11)  .14762(6)  .0320(3)
H12A 1  .23922(14)  .39537(11)  .18057(6)  .038
H12B 1  .16500(14)  .31228(11)  .12636(6)  .038
C13 1  .3170(2)  .39825(12)  .09669(7)  .0393(3)
H13A 1  .4009(2)  .43379(12)  .11865(7)  .047
H13B 1  .2561(2)  .45512(12)  .07439(7)  .047
C14 1  .3468(2)  .31686(14)  .04623(7)  .0471(4)
H14A 1  .2620(2)  .28703(14)  .02105(7)  .057
H14B 1  .3923(2)  .35478(14)  .01567(7)  .057
C15 1  .4350(2)  .22364(13)  .07906(8)  .0430(4)
H15A 1  .5238(2)  .25242(13)  .09976(8)  .052
H15B 1  .4472(2)  .17006(13)  .04583(8)  .052
C16 1  .37280(14)  .16704(11)  .13074(7)  .0352(3)
H16A 1  .43495(14)  .11111(11)  .15324(7)  .042
H16B 1  .28929(14)  .13039(11)  .10931(7)  .042
C21 1  .16449(12)  -.00404(10)  .31171(6)  .0273(3)
H21 1  .07887(12)  -.03724(10)  .28835(6)  .033
C22 1  .25152(13)  -.09506(11)  .34811(6)  .0318(3)
H22A 1  .33794(13)  -.06474(11)  .37105(6)  .038
H22B 1  .26935(13) -0.14988(11)  .31671(6)  .038
C23 1  .1809(2) -0.14924(12)  .39742(7)  .0406(3)
H23A 1  .0981(2) -0.18470(12)  .37408(7)  .049
H23B 1  .2395(2) -0.20581(12)  .42169(7)  .049
C24 1  .1470(2)  -.06549(15)  .44508(7)  .0529(4)
H24A 1  .2305(2)  -.03581(15)  .47162(7)  .064
H24B 1  .0975(2) -0.10146(15)  .47471(7)  .064
C25 1  .0628(2)  .02768(14)  .40973(8)  .0504(4)
H25A 1  .0486(2)  .08274(14)  .44177(8)  .061
H25B 1  -.0255(2)  -.00053(14)  .38773(8)  .061
C26 1  .13089(15)  .08125(12)  .35924(7)  .0375(3)
H26A 1  .21369(15)  .11778(12)  .38170(7)  .045
H26B 1  .07100(15)  .13686(12)  .33480(7)  .045
C31 1  .53801(12)  .20613(10)  .33556(6)  .0282(3)
H31 1  .49145(12)  .27211(10)  .31436(6)  .034
C32 1  .57522(14)  .22415(12)  .40960(6)  .0350(3)
H32A 1  .49367(14)  .24064(12)  .42578(6)  .042
H32B 1  .61466(14)  .15684(12)  .43105(6)  .042
C33 1  .6749(2)  .31771(14)  .42726(7)  .0494(4)
H33A 1  .6327(2)  .38632(14)  .40910(7)  .059
H33B 1  .6998(2)  .32533(14)  .47504(7)  .059
C34 1  .8001(2)  .2971(2)  .40069(9)  .0570(5)
H34A 1  .8472(2)  .2327(2)  .42227(9)  .068
H34B 1  .8606(2)  .3602(2)  .41057(9)  .068
C35 1  .7651(2)  .27850(14)  .32681(8)  .0475(4)
H35A 1  .8472(2)  .26073(14)  .31142(8)  .057
H35B 1  .7274(2)  .34597(14)  .30489(8)  .057
C36 1  .66373(13)  .18567(12)  .30864(7)  .0370(3)
H36A 1  .63867(13)  .17898(12)  .26082(7)  .044
H36B 1  .70528(13)  .11652(12)  .32626(7)  .044
C41 1  -.03189(12)  .04019(11)  .15737(6)  .0294(3)
H41 1  .01471(12)  -.02794(11)  .17522(6)  .035
C42 1 -0.15321(13)  .05882(12)  .18831(7)  .0363(3)
H42A 1 -0.19412(13)  .12979(12)  .17398(7)  .044
H42B 1 -0.12344(13)  .06080(12)  .23612(7)  .044
C43 1 -0.2580(2)  -.03158(15)  .16925(9)  .0498(4)
H43A 1 -0.3366(2)  -.01533(15)  .18784(9)  .060
H43B 1 -0.2201(2) -0.10155(15)  .18744(9)  .060
C44 1 -0.3015(2)  -.0411(2)  .09482(9)  .0590(5)
H44A 1 -0.3647(2) -0.1023(2)  .08378(9)  .071
H44B 1 -0.3480(2)  .0261(2)  .07713(9)  .071
C45 1 -0.1815(2)  -.05974(14)  .06364(8)  .0518(4)
H45A 1 -0.2117(2)  -.06105(14)  .01584(8)  .062
H45B 1 -0.1408(2) -0.13096(14)  .07758(8)  .062
C46 1  -.07674(14)  .03011(12)  .08300(6)  .0358(3)
H46A 1 -0.11461(14)  .10015(12)  .06489(6)  .043
H46B 1  .00162(14)  .01388(12)  .06418(6)  .043