data_2012724
_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 41'
_symmetry_space_group_name_Hall  'P 4w'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-y, x, z+1/4'
  '-x, -y, z+1/2'
  'y, -x, z+3/4'
_cell_length_a  13.2963(2)
_cell_length_b  13.2963(2)
_cell_length_c  20.6366(5)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  3648.38(12)
_cell_formula_units_Z  4
_cell_measurement_temperature  150.0(10)
_exptl_crystal_density_diffrn  1.405
_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 0.16386(4) 0.30277(4) 0.50000(3) 0.04489(14) Uani d . 1 . . Cu
  Cu2 0.67705(4) 0.15144(4) 0.35702(3) 0.04434(14) Uani d . 1 . . Cu
  O1 0.2104(2) 0.3276(2) 0.58530(16) 0.0562(8) Uani d . 1 . . O
  O2 0.0627(2) 0.2975(2) 0.43576(18) 0.0588(9) Uani d . 1 . . O
  O3 0.6758(2) 0.2798(2) 0.31628(16) 0.0541(8) Uani d . 1 . . O
  O4 0.7161(2) 0.0190(2) 0.37971(15) 0.0526(8) Uani d . 1 . . O
  N1 0.1553(3) 0.1561(3) 0.5128(2) 0.0502(9) Uani d . 1 . . N
  N2 0.2202(3) 0.4295(3) 0.46793(19) 0.0465(8) Uani d D 1 A . N
  N3 0.5825(2) 0.0945(3) 0.29262(19) 0.0484(9) Uani d . 1 A . N
  N4 0.7407(3) 0.2084(3) 0.4347(2) 0.0560(10) Uani d D 1 A . N
  C11 0.1983(3) 0.1618(3) 0.6278(2) 0.0524(12) Uani d . 1 . . C
  C12 0.2139(3) 0.2642(3) 0.6342(2) 0.0472(11) Uani d . 1 . . C
  C13 0.2344(3) 0.3028(4) 0.6971(3) 0.0570(12) Uani d . 1 . . C
  C14 0.2404(4) 0.2401(4) 0.7499(3) 0.0664(13) Uani d . 1 . . C
  C15 0.2262(4) 0.1396(4) 0.7435(3) 0.0754(16) Uani d . 1 . . C
  C16 0.2058(4) 0.1001(4) 0.6832(3) 0.0721(15) Uani d . 1 . . C
  C17 0.1727(3) 0.1129(3) 0.5675(3) 0.0522(12) Uani d . 1 . . C
  C21 0.0935(3) 0.4579(3) 0.3848(2) 0.0460(10) Uani d . 1 . . C
  C22 0.0398(3) 0.3653(3) 0.3925(2) 0.0475(10) Uani d . 1 . . C
  C23 -0.0409(3) 0.3479(3) 0.3500(3) 0.0577(12) Uani d . 1 . . C
  C24 -0.0695(4) 0.4160(4) 0.3053(3) 0.0634(13) Uani d . 1 . . C
  C25 -0.0188(4) 0.5074(4) 0.2991(3) 0.0705(14) Uani d . 1 . . C
  C26 0.0612(4) 0.5274(4) 0.3380(2) 0.0600(13) Uani d . 1 . . C
  C27 0.1806(3) 0.4822(3) 0.4219(2) 0.0513(11) Uani d . 1 . . C
  C31 0.5938(3) 0.2348(3) 0.2171(2) 0.0502(11) Uani d . 1 . . C
  C32 0.6464(3) 0.3013(3) 0.2572(2) 0.0479(11) Uani d . 1 . . C
  C33 0.6673(3) 0.3979(3) 0.2321(2) 0.0543(11) Uani d . 1 . . C
  C34 0.6403(4) 0.4252(4) 0.1702(3) 0.0639(13) Uani d . 1 . . C
  C35 0.5906(4) 0.3588(4) 0.1303(3) 0.0681(15) Uani d . 1 . . C
  C36 0.5677(4) 0.2646(4) 0.1541(2) 0.0596(13) Uani d . 1 . . C
  C37 0.5614(3) 0.1370(3) 0.2380(2) 0.0510(11) Uani d . 1 . . C
  C41 0.8196(3) 0.0527(3) 0.4713(2) 0.0489(11) Uani d . 1 . . C
  C42 0.7748(3) -0.0122(3) 0.4263(2) 0.0454(10) Uani d . 1 . . C
  C43 0.7928(3) -0.1166(3) 0.4337(3) 0.0531(11) Uani d . 1 . . C
  C44 0.8550(4) -0.1517(4) 0.4811(3) 0.0563(13) Uani d . 1 . . C
  C45 0.9020(4) -0.0878(4) 0.5239(3) 0.0642(14) Uani d . 1 . . C
  C46 0.8840(4) 0.0133(4) 0.5189(3) 0.0618(13) Uani d . 1 . . C
  C47 0.8000(4) 0.1587(4) 0.4729(2) 0.0583(12) Uani d . 1 . . C
  C1 0.1276(3) 0.0906(3) 0.4576(2) 0.0495(11) Uani d D 1 . . C
  C2 0.2046(3) 0.0959(4) 0.4038(2) 0.0617(13) Uani d D 1 . . C
  C3 0.3093(3) 0.0583(3) 0.4183(2) 0.0563(12) Uani d D 1 . . C
  C4 0.3767(3) 0.0605(3) 0.3592(2) 0.0625(13) Uani d D 1 . . C
  C5 0.4721(3) 0.0002(3) 0.3678(2) 0.0605(13) Uani d D 1 . . C
  C6 0.5357(3) -0.0044(3) 0.3071(2) 0.0540(11) Uani d D 1 A . C
  C61 0.3109(4) 0.4735(8) 0.4995(7) 0.0546(17) Uani d PD 0.714(6) A -1 C
  C62 0.4067(5) 0.4349(5) 0.4689(4) 0.072(2) Uani d PD 0.714(6) A -1 C
  C63 0.4265(5) 0.3248(4) 0.4815(5) 0.083(3) Uani d PD 0.714(6) A -1 C
  C64 0.5256(4) 0.2896(6) 0.4531(4) 0.081(3) Uani d PD 0.714(6) A -1 C
  C65 0.6183(4) 0.3293(6) 0.4872(4) 0.091(3) Uani d PD 0.714(6) A -1 C
  C66 0.7162(4) 0.3150(4) 0.4509(3) 0.0499(18) Uani d PD 0.714(6) A -1 C
  N72 0.2202(3) 0.4295(3) 0.46793(19) 0.0465(8) Uani d P 0.00 A -2 N
  C71 0.3190(12) 0.456(2) 0.496(2) 0.060 Uiso d PD 0.286(6) A -2 C
  C72 0.3939(7) 0.3745(14) 0.4812(10) 0.060 Uiso d PD 0.286(6) A -2 C
  C73 0.4943(7) 0.3867(11) 0.5132(7) 0.060 Uiso d PD 0.286(6) A -2 C
  C74 0.5758(8) 0.3251(14) 0.4809(9) 0.060 Uiso d PD 0.286(6) A -2 C
  C75 0.6795(8) 0.3482(10) 0.4989(7) 0.060 Uiso d PD 0.286(6) A -2 C
  C76 0.7587(10) 0.3165(9) 0.4497(10) 0.060 Uiso d PD 0.286(6) A -2 C
  N74 0.7407(3) 0.2084(3) 0.4347(2) 0.0560(10) Uani d P 0.00 A -2 N
  H13 0.2440 0.3731 0.7027 0.068 Uiso calc R 1 . . H
  H14 0.2547 0.2674 0.7914 0.080 Uiso calc R 1 A . H
  H15 0.2303 0.0968 0.7802 0.090 Uiso calc R 1 . . H
  H16 0.1967 0.0296 0.6788 0.086 Uiso calc R 1 A . H
  H17 0.1683 0.0416 0.5682 0.063 Uiso calc R 1 A . H
  H23 -0.0765 0.2862 0.3529 0.069 Uiso calc R 1 . . H
  H24 -0.1248 0.4015 0.2776 0.076 Uiso calc R 1 A . H
  H25 -0.0401 0.5554 0.2678 0.085 Uiso calc R 1 . . H
  H26 0.0958 0.5895 0.3335 0.072 Uiso calc R 1 A . H
  H27 0.2130 0.5438 0.4117 0.062 Uiso calc R 1 A . H
  H33 0.7010 0.4454 0.2587 0.065 Uiso calc R 1 . . H
  H34 0.6561 0.4906 0.1548 0.077 Uiso calc R 1 A . H
  H35 0.5725 0.3774 0.0874 0.082 Uiso calc R 1 . . H
  H36 0.5331 0.2184 0.1270 0.072 Uiso calc R 1 A . H
  H37 0.5204 0.0999 0.2088 0.061 Uiso calc R 1 A . H
  H43 0.7611 -0.1628 0.4052 0.064 Uiso calc R 1 . . H
  H44 0.8662 -0.2221 0.4846 0.068 Uiso calc R 1 A . H
  H45 0.9459 -0.1133 0.5562 0.077 Uiso calc R 1 . . H
  H46 0.9160 0.0579 0.5484 0.074 Uiso calc R 1 A . H
  H47 0.8340 0.1964 0.5052 0.070 Uiso calc R 1 A . H
  H51A 0.0612 0.1115 0.4406 0.059 Uiso calc R 1 A . H
  H51B 0.1218 0.0203 0.4729 0.059 Uiso calc R 1 . . H
  H52A 0.1783 0.0571 0.3665 0.074 Uiso calc R 1 . . H
  H52B 0.2099 0.1669 0.3898 0.074 Uiso calc R 1 . . H
  H53A 0.3052 -0.0115 0.4348 0.068 Uiso calc R 1 A . H
  H53B 0.3394 0.1005 0.4527 0.068 Uiso calc R 1 . . H
  H54A 0.3390 0.0336 0.3216 0.075 Uiso calc R 1 . . H
  H54B 0.3946 0.1311 0.3494 0.075 Uiso calc R 1 . . H
  H55A 0.4542 -0.0691 0.3810 0.073 Uiso calc R 1 A . H
  H55B 0.5123 0.0305 0.4031 0.073 Uiso calc R 1 . . H
  H56A 0.5892 -0.0555 0.3128 0.065 Uiso calc R 1 . . H
  H56B 0.4933 -0.0252 0.2700 0.065 Uiso calc R 1 . . H
  H61A 0.3106 0.4563 0.5462 0.066 Uiso calc PR 0.714(6) A -1 H
  H61B 0.3086 0.5477 0.4956 0.066 Uiso calc PR 0.714(6) A -1 H
  H62A 0.4032 0.4460 0.4215 0.086 Uiso calc PR 0.714(6) A -1 H
  H62B 0.4641 0.4746 0.4858 0.086 Uiso calc PR 0.714(6) A -1 H
  H63A 0.3712 0.2846 0.4625 0.099 Uiso calc PR 0.714(6) A -1 H
  H63B 0.4269 0.3128 0.5288 0.099 Uiso calc PR 0.714(6) A -1 H
  H64A 0.5273 0.2152 0.4543 0.098 Uiso calc PR 0.714(6) A -1 H
  H64B 0.5285 0.3104 0.4070 0.098 Uiso calc PR 0.714(6) A -1 H
  H65A 0.6089 0.4020 0.4954 0.109 Uiso calc PR 0.714(6) A -1 H
  H65B 0.6240 0.2955 0.5298 0.109 Uiso calc PR 0.714(6) A -1 H
  H66A 0.7132 0.3542 0.4102 0.060 Uiso calc PR 0.714(6) A -1 H
  H66B 0.7716 0.3430 0.4775 0.060 Uiso calc PR 0.714(6) A -1 H
  H71A 0.3126 0.4641 0.5433 0.072 Uiso calc PR 0.286(6) A -2 H
  H71B 0.3425 0.5204 0.4774 0.072 Uiso calc PR 0.286(6) A -2 H
  H72A 0.3649 0.3092 0.4946 0.072 Uiso calc PR 0.286(6) A -2 H
  H72B 0.4042 0.3719 0.4337 0.072 Uiso calc PR 0.286(6) A -2 H
  H73A 0.4887 0.3663 0.5591 0.072 Uiso calc PR 0.286(6) A -2 H
  H73B 0.5137 0.4586 0.5121 0.072 Uiso calc PR 0.286(6) A -2 H
  H74A 0.5632 0.2533 0.4907 0.072 Uiso calc PR 0.286(6) A -2 H
  H74B 0.5693 0.3335 0.4334 0.072 Uiso calc PR 0.286(6) A -2 H
  H75A 0.6945 0.3148 0.5407 0.072 Uiso calc PR 0.286(6) A -2 H
  H75B 0.6852 0.4217 0.5059 0.072 Uiso calc PR 0.286(6) A -2 H
  H76A 0.7528 0.3575 0.4098 0.072 Uiso calc PR 0.286(6) A -2 H
  H76B 0.8270 0.3258 0.4678 0.072 Uiso calc PR 0.286(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 0.0510(3) 0.0394(3) 0.0443(3) 0.0007(2) 0.0004(3) 0.0010(2)
  Cu2 0.0548(3) 0.0423(3) 0.0359(3) -0.0028(2) -0.0008(2) -0.0034(2)
  O1 0.069(2) 0.0516(18) 0.048(2) 0.0041(15) -0.0071(16) 0.0006(15)
  O2 0.066(2) 0.0464(17) 0.065(2) -0.0055(14) -0.0157(17) 0.0010(17)
  O3 0.073(2) 0.0482(17) 0.041(2) -0.0017(14) -0.0077(16) -0.0008(14)
  O4 0.0646(19) 0.0478(17) 0.045(2) -0.0018(13) -0.0066(15) -0.0011(14)
  N1 0.050(2) 0.046(2) 0.054(3) 0.0012(15) 0.0092(19) 0.0016(19)
  N2 0.050(2) 0.045(2) 0.044(2) -0.0010(15) -0.0005(17) -0.0051(17)
  N3 0.0429(19) 0.058(2) 0.044(3) -0.0050(16) 0.0035(17) -0.0020(18)
  N4 0.076(3) 0.045(2) 0.047(3) -0.0016(18) 0.002(2) -0.0057(18)
  C11 0.045(2) 0.060(3) 0.052(3) 0.005(2) 0.007(2) 0.009(2)
  C12 0.038(2) 0.055(3) 0.048(3) 0.0043(19) 0.004(2) 0.007(2)
  C13 0.053(3) 0.066(3) 0.052(3) -0.001(2) -0.005(2) 0.002(2)
  C14 0.064(3) 0.088(4) 0.047(3) -0.010(2) -0.003(3) 0.012(3)
  C15 0.079(4) 0.090(4) 0.057(4) -0.012(3) -0.010(3) 0.026(3)
  C16 0.087(4) 0.068(3) 0.060(4) 0.001(3) 0.003(3) 0.016(3)
  C17 0.051(3) 0.042(2) 0.064(4) 0.0043(19) 0.011(2) 0.008(2)
  C21 0.054(3) 0.050(2) 0.035(3) 0.0006(19) 0.0001(19) -0.006(2)
  C22 0.053(3) 0.048(2) 0.041(3) 0.002(2) 0.002(2) -0.008(2)
  C23 0.059(3) 0.052(3) 0.062(4) 0.006(2) -0.014(3) -0.011(2)
  C24 0.065(3) 0.076(4) 0.049(3) 0.009(3) -0.012(3) -0.015(3)
  C25 0.078(3) 0.086(4) 0.048(3) 0.019(3) 0.000(3) 0.014(3)
  C26 0.072(3) 0.059(3) 0.048(3) 0.005(2) -0.001(3) 0.007(2)
  C27 0.060(3) 0.046(2) 0.048(3) 0.002(2) 0.010(2) -0.002(2)
  C31 0.047(2) 0.057(3) 0.047(3) -0.002(2) 0.003(2) -0.002(2)
  C32 0.046(2) 0.055(3) 0.043(3) 0.0053(18) 0.007(2) 0.005(2)
  C33 0.065(3) 0.052(3) 0.046(3) 0.003(2) -0.012(2) 0.000(2)
  C34 0.065(3) 0.063(3) 0.064(4) -0.008(2) -0.001(3) 0.012(3)
  C35 0.080(4) 0.082(4) 0.042(3) -0.015(3) -0.011(3) 0.015(3)
  C36 0.062(3) 0.072(3) 0.045(3) -0.013(2) -0.009(2) -0.001(2)
  C37 0.047(2) 0.065(3) 0.041(3) -0.003(2) 0.000(2) -0.002(2)
  C41 0.057(3) 0.047(2) 0.043(3) -0.004(2) 0.009(2) -0.002(2)
  C42 0.046(2) 0.046(2) 0.044(3) 0.0010(18) 0.008(2) 0.003(2)
  C43 0.062(3) 0.044(2) 0.053(3) -0.004(2) 0.007(2) -0.001(2)
  C44 0.058(3) 0.051(3) 0.060(4) 0.004(2) 0.012(3) 0.010(2)
  C45 0.058(3) 0.079(4) 0.056(3) 0.011(3) 0.003(2) 0.015(3)
  C46 0.062(3) 0.066(3) 0.058(4) -0.007(2) -0.008(2) 0.002(2)
  C47 0.080(3) 0.057(3) 0.038(3) -0.008(2) -0.009(3) -0.009(2)
  C1 0.053(3) 0.042(2) 0.054(3) -0.0054(18) 0.003(2) -0.001(2)
  C2 0.066(3) 0.066(3) 0.053(3) -0.009(2) 0.001(3) -0.010(3)
  C3 0.071(3) 0.053(3) 0.046(3) -0.007(2) -0.001(2) -0.002(2)
  C4 0.065(3) 0.071(3) 0.051(3) -0.013(2) 0.009(3) -0.013(3)
  C5 0.069(3) 0.059(3) 0.054(3) -0.019(2) 0.002(3) 0.001(2)
  C6 0.062(3) 0.048(2) 0.052(3) -0.011(2) 0.008(2) -0.006(2)
  C61 0.056(4) 0.051(5) 0.057(5) -0.009(3) -0.006(4) 0.002(5)
  C62 0.052(4) 0.074(5) 0.089(6) -0.008(3) -0.005(4) 0.008(4)
  C63 0.063(5) 0.059(5) 0.126(8) -0.007(3) 0.012(5) -0.009(5)
  C64 0.063(5) 0.072(5) 0.109(8) 0.006(4) 0.002(5) -0.030(5)
  C65 0.035(4) 0.065(4) 0.172(10) 0.010(3) -0.031(5) -0.060(5)
  C66 0.056(4) 0.039(3) 0.055(5) 0.000(3) -0.015(4) -0.015(3)
  N72 0.050(2) 0.045(2) 0.044(2) -0.0010(15) -0.0005(17) -0.0051(17)
  N74 0.076(3) 0.045(2) 0.047(3) -0.0016(18) 0.002(2) -0.0057(18)
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 . 1.890(3) yes
  Cu1 O1 . 1.895(3) yes
  Cu1 N2 . 1.959(4) yes
  Cu1 N1 . 1.972(3) yes
  Cu2 O4 . 1.895(3) yes
  Cu2 O3 . 1.903(3) yes
  Cu2 N4 . 1.965(4) yes
  Cu2 N3 . 1.980(4) yes
  O1 C12 . 1.316(5) no
  O2 C22 . 1.305(5) no
  O3 C32 . 1.311(6) no
  O4 C42 . 1.306(5) no
  N1 C17 . 1.286(6) no
  N1 C1 . 1.480(6) no
  N2 C27 . 1.293(6) no
  N2 C61 . 1.491(8) no
  N3 C37 . 1.291(6) no
  N3 C6 . 1.485(5) no
  N4 C47 . 1.295(6) no
  N4 C66 . 1.492(7) no
  C11 C12 . 1.383(6) no
  C11 C16 . 1.411(7) no
  C11 C17 . 1.445(7) no
  C12 C13 . 1.422(7) no
  C13 C14 . 1.374(7) no
  C13 H13 . 0.9500 no
  C14 C15 . 1.356(8) no
  C14 H14 . 0.9500 no
  C15 C16 . 1.376(8) no
  C15 H15 . 0.9500 no
  C16 H16 . 0.9500 no
  C17 H17 . 0.9500 no
  C21 C26 . 1.404(6) no
  C21 C27 . 1.426(6) no
  C21 C22 . 1.432(6) no
  C22 C23 . 1.406(6) no
  C23 C24 . 1.347(7) no
  C23 H23 . 0.9500 no
  C24 C25 . 1.396(7) no
  C24 H24 . 0.9500 no
  C25 C26 . 1.359(7) no
  C25 H25 . 0.9500 no
  C26 H26 . 0.9500 no
  C27 H27 . 0.9500 no
  C31 C32 . 1.399(6) no
  C31 C36 . 1.402(7) no
  C31 C37 . 1.437(6) no
  C32 C33 . 1.412(6) no
  C33 C34 . 1.375(7) no
  C33 H33 . 0.9500 no
  C34 C35 . 1.376(7) no
  C34 H34 . 0.9500 no
  C35 C36 . 1.380(7) no
  C35 H35 . 0.9500 no
  C36 H36 . 0.9500 no
  C37 H37 . 0.9500 no
  C41 C42 . 1.402(6) no
  C41 C46 . 1.404(7) no
  C41 C47 . 1.433(6) no
  C42 C43 . 1.416(6) no
  C43 C44 . 1.363(7) no
  C43 H43 . 0.9500 no
  C44 C45 . 1.375(7) no
  C44 H44 . 0.9500 no
  C45 C46 . 1.370(7) no
  C45 H45 . 0.9500 no
  C46 H46 . 0.9500 no
  C47 H47 . 0.9500 no
  C1 C2 . 1.512(3) no
  C1 H51A . 0.9900 no
  C1 H51B . 0.9900 no
  C2 C3 . 1.509(3) no
  C2 H52A . 0.9900 no
  C2 H52B . 0.9900 no
  C3 C4 . 1.515(3) no
  C3 H53A . 0.9900 no
  C3 H53B . 0.9900 no
  C4 C5 . 1.511(3) no
  C4 H54A . 0.9900 no
  C4 H54B . 0.9900 no
  C5 C6 . 1.513(3) no
  C5 H55A . 0.9900 no
  C5 H55B . 0.9900 no
  C6 H56A . 0.9900 no
  C6 H56B . 0.9900 no
  C61 C62 . 1.512(3) no
  C61 H61A . 0.9900 no
  C61 H61B . 0.9900 no
  C62 C63 . 1.510(3) no
  C62 H62A . 0.9900 no
  C62 H62B . 0.9900 no
  C63 C64 . 1.516(3) no
  C63 H63A . 0.9900 no
  C63 H63B . 0.9900 no
  C64 C65 . 1.515(3) no
  C64 H64A . 0.9900 no
  C64 H64B . 0.9900 no
  C65 C66 . 1.513(3) no
  C65 H65A . 0.9900 no
  C65 H65B . 0.9900 no
  C66 H66A . 0.9900 no
  C66 H66B . 0.9900 no
  C71 C72 . 1.501(10) no
  C71 H71A . 0.9900 no
  C71 H71B . 0.9900 no
  C72 C73 . 1.498(9) no
  C72 H72A . 0.9900 no
  C72 H72B . 0.9900 no
  C73 C74 . 1.514(9) no
  C73 H73A . 0.9900 no
  C73 H73B . 0.9900 no
  C74 C75 . 1.461(9) no
  C74 H74A . 0.9900 no
  C74 H74B . 0.9900 no
  C75 C76 . 1.523(9) no
  C75 H75A . 0.9900 no
  C75 H75B . 0.9900 no
  C76 H76A . 0.9900 no
  C76 H76B . 0.9900 no