#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2012725.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_2012725
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  m313
_journal_page_last  m315
_publ_section_title
;
Enantiomeric bis(\m-N,N'-hexamethylenedisalicylaldiminato)dicopper(II)
complexes
;
loop_
_publ_author_name
  "Fri\<s\<ci\'c, Tomislav"
  'Lough, Alan J.'
  'Ferguson, George'
  'Kaitner, Branko'
_chemical_formula_moiety  'C40 H44 Cu2 N4 O4'
_chemical_formula_sum  'C40 H44 Cu2 N4 O4'
_chemical_formula_iupac  '[Cu2 (C20 H22 N2 O2)2]'
_chemical_formula_weight  771.81
_symmetry_cell_setting  tetragonal
_symmetry_space_group_name_H-M  'P 43'
_symmetry_space_group_name_Hall  'P 4cw'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-y, x, z+3/4'
  '-x, -y, z+1/2'
  'y, -x, z+1/4'
_cell_length_a  13.3288(2)
_cell_length_b  13.3288(2)
_cell_length_c  20.5834(7)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  3656.78(15)
_cell_formula_units_Z  4
_cell_measurement_temperature  150.0(10)
_exptl_crystal_density_diffrn  1.402
_diffrn_ambient_temperature  150.0(10)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Cu1 0.19609(4) 0.33581(4) 0.49998(3) 0.03574(16) Uani d . 1 . . Cu
  Cu2 0.34869(4) -0.17673(4) 0.35611(3) 0.03360(16) Uani d . 1 . . Cu
  O1 0.1703(2) 0.2884(2) 0.58532(18) 0.0410(9) Uani d . 1 . . O
  O2 0.2022(2) 0.4367(2) 0.43572(19) 0.0471(10) Uani d . 1 . . O
  O3 0.2201(2) -0.1761(2) 0.31595(17) 0.0388(9) Uani d . 1 . . O
  O4 0.4817(2) -0.2143(2) 0.37788(17) 0.0383(9) Uani d . 1 . . O
  N1 0.3429(3) 0.3433(3) 0.5133(2) 0.0354(10) Uani d . 1 . . N
  N2 0.0692(3) 0.2809(3) 0.4675(2) 0.0334(9) Uani d D 1 A . N
  N3 0.4046(3) -0.0810(3) 0.2919(2) 0.0348(10) Uani d . 1 A . N
  N4 0.2922(3) -0.2400(3) 0.4335(2) 0.0408(11) Uani d D 1 A . N
  C21 0.0427(3) 0.4077(3) 0.3839(2) 0.0326(11) Uani d . 1 . . C
  C22 0.1346(3) 0.4608(3) 0.3919(3) 0.0361(12) Uani d . 1 . . C
  C23 0.1531(3) 0.5418(3) 0.3505(3) 0.0432(13) Uani d . 1 . . C
  C24 0.0854(4) 0.5711(4) 0.3044(3) 0.0502(14) Uani d . 1 . . C
  C25 -0.0068(4) 0.5208(4) 0.2977(3) 0.0503(14) Uani d . 1 . . C
  C26 -0.0261(4) 0.4408(4) 0.3367(3) 0.0425(14) Uani d . 1 . . C
  C27 0.0176(3) 0.3207(4) 0.4217(3) 0.0385(13) Uani d . 1 . . C
  C11 0.3371(4) 0.3014(3) 0.6283(3) 0.0376(13) Uani d . 1 . . C
  C12 0.2329(3) 0.2854(3) 0.6353(3) 0.0338(12) Uani d . 1 . . C
  C13 0.1940(4) 0.2659(4) 0.6974(3) 0.0437(13) Uani d . 1 . . C
  C14 0.2567(4) 0.2613(4) 0.7507(3) 0.0500(14) Uani d . 1 . . C
  C15 0.3579(4) 0.2741(4) 0.7449(3) 0.0560(15) Uani d . 1 . . C
  C16 0.3974(4) 0.2934(4) 0.6845(3) 0.0526(15) Uani d . 1 . . C
  C17 0.3846(4) 0.3274(3) 0.5682(3) 0.0401(14) Uani d . 1 . . C
  C41 0.4493(3) -0.3197(3) 0.4700(3) 0.0357(12) Uani d . 1 . . C
  C42 0.5127(3) -0.2735(3) 0.4247(2) 0.0310(11) Uani d . 1 . . C
  C43 0.6173(3) -0.2920(3) 0.4319(3) 0.0377(12) Uani d . 1 . . C
  C44 0.6533(3) -0.3532(3) 0.4796(3) 0.0389(13) Uani d . 1 . . C
  C45 0.5891(4) -0.4011(4) 0.5228(3) 0.0443(14) Uani d . 1 . . C
  C46 0.4881(4) -0.3835(4) 0.5177(3) 0.0435(14) Uani d . 1 . . C
  C47 0.3434(4) -0.2991(4) 0.4721(3) 0.0439(14) Uani d . 1 . . C
  C31 0.2630(3) -0.0914(3) 0.2165(3) 0.0350(12) Uani d . 1 . . C
  C32 0.1973(3) -0.1459(3) 0.2572(3) 0.0349(13) Uani d . 1 . . C
  C33 0.1007(3) -0.1666(3) 0.2323(3) 0.0365(12) Uani d . 1 . . C
  C34 0.0727(4) -0.1390(4) 0.1703(3) 0.0435(13) Uani d . 1 . . C
  C35 0.1394(4) -0.0881(4) 0.1299(3) 0.0444(14) Uani d . 1 . . C
  C36 0.2326(4) -0.0643(3) 0.1532(3) 0.0418(13) Uani d . 1 . . C
  C37 0.3620(3) -0.0590(3) 0.2375(3) 0.0368(13) Uani d . 1 . . C
  C1 0.4079(3) 0.3716(3) 0.4581(2) 0.0376(12) Uani d D 1 . . C
  C2 0.4011(4) 0.2955(3) 0.4034(2) 0.0414(13) Uani d D 1 . . C
  C3 0.4413(3) 0.1916(3) 0.4187(2) 0.0383(13) Uani d D 1 . . C
  C4 0.4391(3) 0.1239(3) 0.3593(2) 0.0396(12) Uani d D 1 . . C
  C5 0.4994(3) 0.0280(3) 0.3666(2) 0.0418(13) Uani d D 1 . . C
  C6 0.5032(3) -0.0352(3) 0.3053(2) 0.0378(12) Uani d D 1 A . C
  C61 0.0247(7) 0.1899(4) 0.4985(6) 0.0362(18) Uani d PD 0.747(6) A -1 C
  C62 0.0642(4) 0.0930(4) 0.4691(4) 0.047(2) Uani d PD 0.747(6) A -1 C
  C63 0.1749(4) 0.0737(4) 0.4809(4) 0.054(2) Uani d PD 0.747(6) A -1 C
  C64 0.2097(5) -0.0253(4) 0.4518(4) 0.052(2) Uani d PD 0.747(6) A -1 C
  C65 0.1737(5) -0.1179(4) 0.4881(4) 0.053(2) Uani d PD 0.747(6) A -1 C
  C66 0.1864(4) -0.2165(4) 0.4519(3) 0.0348(18) Uani d PD 0.747(6) A -1 C
  N72 0.0692(3) 0.2809(3) 0.4675(2) 0.0334(9) Uani d P 0.00 A -2 N
  C71 0.040(2) 0.1806(12) 0.491(3) 0.060 Uiso d PD 0.253(6) A -2 C
  C72 0.1225(17) 0.1066(8) 0.4754(13) 0.060 Uiso d PD 0.253(6) A -2 C
  C73 0.1144(15) 0.0076(8) 0.5086(9) 0.060 Uiso d PD 0.253(6) A -2 C
  C74 0.1749(19) -0.0746(9) 0.4762(13) 0.060 Uiso d PD 0.253(6) A -2 C
  C75 0.1505(13) -0.1784(9) 0.4970(10) 0.060 Uiso d PD 0.253(6) A -2 C
  C76 0.1853(10) -0.2594(12) 0.4509(14) 0.060 Uiso d PD 0.253(6) A -2 C
  N74 0.2922(3) -0.2400(3) 0.4335(2) 0.0408(11) Uani d P 0.00 A -2 N
  H23 0.2144 0.5775 0.3544 0.052 Uiso calc R 1 . . H
  H24 0.1007 0.6258 0.2766 0.060 Uiso calc R 1 A . H
  H25 -0.0547 0.5424 0.2666 0.060 Uiso calc R 1 . . H
  H26 -0.0879 0.4061 0.3320 0.051 Uiso calc R 1 A . H
  H27 -0.0444 0.2890 0.4116 0.046 Uiso calc R 1 A . H
  H13 0.1240 0.2559 0.7028 0.052 Uiso calc R 1 . . H
  H14 0.2287 0.2488 0.7924 0.060 Uiso calc R 1 A . H
  H15 0.4002 0.2698 0.7820 0.067 Uiso calc R 1 . . H
  H16 0.4679 0.3016 0.6804 0.063 Uiso calc R 1 A . H
  H17 0.4556 0.3336 0.5694 0.048 Uiso calc R 1 A . H
  H43 0.6631 -0.2610 0.4028 0.045 Uiso calc R 1 . . H
  H44 0.7236 -0.3633 0.4834 0.047 Uiso calc R 1 A . H
  H45 0.6146 -0.4450 0.5551 0.053 Uiso calc R 1 . . H
  H46 0.4435 -0.4154 0.5471 0.052 Uiso calc R 1 A . H
  H47 0.3064 -0.3321 0.5053 0.053 Uiso calc R 1 A . H
  H33 0.0536 -0.2006 0.2591 0.044 Uiso calc R 1 . . H
  H34 0.0073 -0.1547 0.1551 0.052 Uiso calc R 1 A . H
  H35 0.1205 -0.0703 0.0870 0.053 Uiso calc R 1 . . H
  H36 0.2780 -0.0287 0.1260 0.050 Uiso calc R 1 A . H
  H37 0.3988 -0.0178 0.2083 0.044 Uiso calc R 1 A . H
  H1A 0.4783 0.3763 0.4732 0.045 Uiso calc R 1 A . H
  H1B 0.3875 0.4384 0.4417 0.045 Uiso calc R 1 . . H
  H2A 0.3298 0.2890 0.3905 0.050 Uiso calc R 1 . . H
  H2B 0.4382 0.3221 0.3655 0.050 Uiso calc R 1 . . H
  H3A 0.4004 0.1611 0.4537 0.046 Uiso calc R 1 A . H
  H3B 0.5111 0.1973 0.4346 0.046 Uiso calc R 1 . . H
  H4A 0.3685 0.1060 0.3497 0.048 Uiso calc R 1 . . H
  H4B 0.4653 0.1618 0.3215 0.048 Uiso calc R 1 . . H
  H5A 0.4698 -0.0126 0.4021 0.050 Uiso calc R 1 A . H
  H5B 0.5688 0.0456 0.3795 0.050 Uiso calc R 1 . . H
  H6A 0.5233 0.0074 0.2681 0.045 Uiso calc R 1 . . H
  H6B 0.5542 -0.0887 0.3104 0.045 Uiso calc R 1 . . H
  H61A -0.0492 0.1920 0.4936 0.043 Uiso calc PR 0.747(6) A -1 H
  H61B 0.0401 0.1908 0.5456 0.043 Uiso calc PR 0.747(6) A -1 H
  H62A 0.0253 0.0362 0.4872 0.056 Uiso calc PR 0.747(6) A -1 H
  H62B 0.0521 0.0945 0.4217 0.056 Uiso calc PR 0.747(6) A -1 H
  H63A 0.1878 0.0731 0.5283 0.065 Uiso calc PR 0.747(6) A -1 H
  H63B 0.2144 0.1292 0.4617 0.065 Uiso calc PR 0.747(6) A -1 H
  H64A 0.1856 -0.0292 0.4063 0.062 Uiso calc PR 0.747(6) A -1 H
  H64B 0.2839 -0.0258 0.4507 0.062 Uiso calc PR 0.747(6) A -1 H
  H65A 0.2108 -0.1224 0.5297 0.064 Uiso calc PR 0.747(6) A -1 H
  H65B 0.1018 -0.1091 0.4986 0.064 Uiso calc PR 0.747(6) A -1 H
  H66A 0.1604 -0.2716 0.4795 0.042 Uiso calc PR 0.747(6) A -1 H
  H66B 0.1451 -0.2144 0.4120 0.042 Uiso calc PR 0.747(6) A -1 H
  H71A -0.0231 0.1593 0.4703 0.072 Uiso calc PR 0.253(6) A -2 H
  H71B 0.0295 0.1828 0.5388 0.072 Uiso calc PR 0.253(6) A -2 H
  H72A 0.1227 0.0952 0.4279 0.072 Uiso calc PR 0.253(6) A -2 H
  H72B 0.1877 0.1372 0.4871 0.072 Uiso calc PR 0.253(6) A -2 H
  H73A 0.0430 -0.0129 0.5097 0.072 Uiso calc PR 0.253(6) A -2 H
  H73B 0.1373 0.0150 0.5541 0.072 Uiso calc PR 0.253(6) A -2 H
  H74A 0.1648 -0.0698 0.4287 0.072 Uiso calc PR 0.253(6) A -2 H
  H74B 0.2469 -0.0622 0.4849 0.072 Uiso calc PR 0.253(6) A -2 H
  H75A 0.0769 -0.1840 0.5023 0.072 Uiso calc PR 0.253(6) A -2 H
  H75B 0.1814 -0.1905 0.5401 0.072 Uiso calc PR 0.253(6) A -2 H
  H76A 0.1789 -0.3260 0.4718 0.072 Uiso calc PR 0.253(6) A -2 H
  H76B 0.1433 -0.2590 0.4112 0.072 Uiso calc PR 0.253(6) A -2 H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Cu1 0.0316(3) 0.0402(3) 0.0354(4) 0.0011(3) -0.0025(3) 0.0014(3)
  Cu2 0.0306(3) 0.0403(3) 0.0299(4) -0.0006(3) 0.0009(3) 0.0012(3)
  O1 0.0400(18) 0.050(2) 0.033(2) 0.0018(16) -0.0033(16) 0.0049(17)
  O2 0.0348(18) 0.048(2) 0.058(3) -0.0052(16) -0.0046(19) 0.0154(19)
  O3 0.0333(17) 0.055(2) 0.028(3) -0.0017(15) 0.0022(16) 0.0041(17)
  O4 0.0345(17) 0.0455(19) 0.035(2) 0.0024(14) 0.0028(16) 0.0082(17)
  N1 0.036(2) 0.036(2) 0.035(3) 0.0049(17) 0.000(2) -0.004(2)
  N2 0.038(2) 0.035(2) 0.027(3) 0.0037(18) 0.0013(19) 0.0017(19)
  N3 0.037(2) 0.032(2) 0.035(3) -0.0064(17) -0.003(2) -0.005(2)
  N4 0.028(2) 0.061(3) 0.034(3) -0.0002(19) 0.0052(19) 0.001(2)
  C21 0.035(3) 0.040(3) 0.022(3) 0.003(2) 0.002(2) 0.002(2)
  C22 0.036(3) 0.038(3) 0.034(4) 0.005(2) 0.004(2) 0.003(2)
  C23 0.043(3) 0.042(3) 0.045(4) 0.004(2) 0.008(3) 0.013(3)
  C24 0.063(4) 0.047(3) 0.041(4) 0.012(3) 0.011(3) 0.009(3)
  C25 0.063(4) 0.056(3) 0.032(4) 0.013(3) -0.012(3) 0.000(3)
  C26 0.045(3) 0.047(3) 0.036(4) 0.001(2) -0.005(3) 0.000(3)
  C27 0.030(3) 0.042(3) 0.044(4) -0.002(2) -0.001(2) -0.006(3)
  C11 0.042(3) 0.034(3) 0.036(4) 0.006(2) -0.007(3) -0.003(2)
  C12 0.038(3) 0.029(2) 0.035(4) 0.001(2) -0.008(2) -0.001(2)
  C13 0.042(3) 0.044(3) 0.044(4) -0.001(2) 0.000(3) 0.006(3)
  C14 0.068(4) 0.050(3) 0.032(4) -0.011(3) -0.001(3) 0.001(3)
  C15 0.068(4) 0.069(4) 0.031(4) -0.015(3) -0.020(3) 0.011(3)
  C16 0.043(3) 0.068(4) 0.048(4) 0.004(3) -0.012(3) -0.008(3)
  C17 0.034(3) 0.039(3) 0.047(4) 0.004(2) 0.000(3) -0.006(3)
  C41 0.034(3) 0.041(3) 0.032(3) 0.000(2) 0.002(2) -0.001(2)
  C42 0.032(2) 0.034(3) 0.028(3) -0.003(2) 0.001(2) -0.003(2)
  C43 0.031(3) 0.044(3) 0.038(4) -0.006(2) 0.001(2) -0.001(3)
  C44 0.031(2) 0.042(3) 0.043(4) 0.004(2) -0.011(2) -0.009(3)
  C45 0.046(3) 0.039(3) 0.048(4) 0.006(2) -0.010(3) 0.002(3)
  C46 0.044(3) 0.047(3) 0.039(4) -0.002(2) 0.003(3) 0.007(3)
  C47 0.041(3) 0.052(3) 0.039(4) -0.008(2) 0.005(3) 0.005(3)
  C31 0.038(3) 0.032(2) 0.035(3) -0.002(2) 0.001(2) -0.001(2)
  C32 0.035(3) 0.031(2) 0.039(4) 0.006(2) -0.003(3) -0.002(2)
  C33 0.037(3) 0.037(3) 0.036(4) 0.003(2) 0.001(2) 0.002(2)
  C34 0.049(3) 0.045(3) 0.036(4) -0.002(2) -0.007(3) -0.001(3)
  C35 0.057(3) 0.051(3) 0.025(3) -0.008(3) -0.010(3) 0.005(3)
  C36 0.054(3) 0.036(3) 0.036(4) -0.005(2) 0.005(3) 0.001(3)
  C37 0.036(3) 0.032(2) 0.043(4) 0.000(2) 0.004(2) -0.004(2)
  C1 0.032(3) 0.038(3) 0.043(4) -0.008(2) 0.000(2) 0.003(2)
  C2 0.042(3) 0.042(3) 0.040(4) -0.002(2) 0.006(3) 0.001(3)
  C3 0.038(3) 0.042(3) 0.035(4) -0.004(2) -0.003(2) 0.005(3)
  C4 0.044(3) 0.044(3) 0.031(3) -0.007(2) 0.000(3) -0.003(3)
  C5 0.038(3) 0.041(3) 0.046(4) -0.006(2) -0.007(3) 0.000(3)
  C6 0.036(3) 0.037(3) 0.041(4) -0.006(2) 0.004(2) 0.000(3)
  C61 0.038(4) 0.033(3) 0.038(5) 0.001(3) -0.004(4) 0.004(4)
  C62 0.050(4) 0.035(4) 0.055(6) 0.001(3) -0.010(4) -0.002(4)
  C63 0.037(4) 0.043(4) 0.083(7) -0.011(3) 0.001(4) 0.000(4)
  C64 0.042(4) 0.043(4) 0.069(7) 0.000(3) 0.019(4) 0.007(4)
  C65 0.043(4) 0.036(4) 0.081(7) 0.009(4) 0.034(4) 0.005(5)
  C66 0.022(3) 0.049(4) 0.034(5) 0.007(3) 0.012(3) 0.013(4)
  N72 0.038(2) 0.035(2) 0.027(3) 0.0037(18) 0.0013(19) 0.0017(19)
  N74 0.028(2) 0.061(3) 0.034(3) -0.0002(19) 0.0052(19) 0.001(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Cu1 O2 . 1.887(4) yes
  Cu1 O1 . 1.898(4) yes
  Cu1 N2 . 1.961(4) yes
  Cu1 N1 . 1.979(4) yes
  Cu2 O4 . 1.896(3) yes
  Cu2 O3 . 1.903(3) yes
  Cu2 N4 . 1.954(4) yes
  Cu2 N3 . 1.983(4) yes
  O1 C12 . 1.325(6) no
  O2 C22 . 1.314(6) no
  O3 C32 . 1.311(6) no
  O4 C42 . 1.312(5) no
  N1 C17 . 1.278(6) no
  N1 C1 . 1.476(6) no
  N2 C27 . 1.281(6) no
  N2 C61 . 1.493(7) no
  N3 C37 . 1.288(6) no
  N3 C6 . 1.475(5) no
  N4 C47 . 1.310(6) no
  N4 C66 . 1.493(6) no
  C21 C26 . 1.406(6) no
  C21 C22 . 1.424(6) no
  C21 C27 . 1.437(7) no
  C22 C23 . 1.397(6) no
  C23 C24 . 1.366(7) no
  C23 H23 . 0.9500 no
  C24 C25 . 1.406(7) no
  C24 H24 . 0.9500 no
  C25 C26 . 1.360(7) no
  C25 H25 . 0.9500 no
  C26 H26 . 0.9500 no
  C27 H27 . 0.9500 no
  C11 C12 . 1.412(6) no
  C11 C16 . 1.414(7) no
  C11 C17 . 1.431(7) no
  C12 C13 . 1.404(7) no
  C13 C14 . 1.380(7) no
  C13 H13 . 0.9500 no
  C14 C15 . 1.365(7) no
  C14 H14 . 0.9500 no
  C15 C16 . 1.375(8) no
  C15 H15 . 0.9500 no
  C16 H16 . 0.9500 no
  C17 H17 . 0.9500 no
  C41 C46 . 1.398(6) no
  C41 C42 . 1.400(6) no
  C41 C47 . 1.439(6) no
  C42 C43 . 1.424(6) no
  C43 C44 . 1.363(7) no
  C43 H43 . 0.9500 no
  C44 C45 . 1.389(7) no
  C44 H44 . 0.9500 no
  C45 C46 . 1.370(6) no
  C45 H45 . 0.9500 no
  C46 H46 . 0.9500 no
  C47 H47 . 0.9500 no
  C31 C32 . 1.412(7) no
  C31 C36 . 1.413(7) no
  C31 C37 . 1.453(6) no
  C32 C33 . 1.413(6) no
  C33 C34 . 1.379(7) no
  C33 H33 . 0.9500 no
  C34 C35 . 1.394(7) no
  C34 H34 . 0.9500 no
  C35 C36 . 1.368(7) no
  C35 H35 . 0.9500 no
  C36 H36 . 0.9500 no
  C37 H37 . 0.9500 no
  C1 C2 . 1.519(3) no
  C1 H1A . 0.9900 no
  C1 H1B . 0.9900 no
  C2 C3 . 1.518(3) no
  C2 H2A . 0.9900 no
  C2 H2B . 0.9900 no
  C3 C4 . 1.521(3) no
  C3 H3A . 0.9900 no
  C3 H3B . 0.9900 no
  C4 C5 . 1.518(3) no
  C4 H4A . 0.9900 no
  C4 H4B . 0.9900 no
  C5 C6 . 1.519(3) no
  C5 H5A . 0.9900 no
  C5 H5B . 0.9900 no
  C6 H6A . 0.9900 no
  C6 H6B . 0.9900 no
  C61 C62 . 1.520(3) no
  C61 H61A . 0.9900 no
  C61 H61B . 0.9900 no
  C62 C63 . 1.517(3) no
  C62 H62A . 0.9900 no
  C62 H62B . 0.9900 no
  C63 C64 . 1.522(3) no
  C63 H63A . 0.9900 no
  C63 H63B . 0.9900 no
  C64 C65 . 1.521(3) no
  C64 H64A . 0.9900 no
  C64 H64B . 0.9900 no
  C65 C66 . 1.520(3) no
  C65 H65A . 0.9900 no
  C65 H65B . 0.9900 no
  C66 H66A . 0.9900 no
  C66 H66B . 0.9900 no
  C71 C72 . 1.509(10) no
  C71 H71A . 0.9900 no
  C71 H71B . 0.9900 no
  C72 C73 . 1.491(10) no
  C72 H72A . 0.9900 no
  C72 H72B . 0.9900 no
  C73 C74 . 1.515(10) no
  C73 H73A . 0.9900 no
  C73 H73B . 0.9900 no
  C74 C75 . 1.484(9) no
  C74 H74A . 0.9900 no
  C74 H74B . 0.9900 no
  C75 C76 . 1.511(9) no
  C75 H75A . 0.9900 no
  C75 H75B . 0.9900 no
  C76 H76A . 0.9900 no
  C76 H76B . 0.9900 no
_cod_database_code 2012725