# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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data_auto

_audit_creation_date             2009-02-06T19:58:56-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'

#------------------ CHEMICAL INFORMATION ------------------------------------#

_chemical_formula_sum            'C72 H62 Cl12 N6'
_chemical_formula_moiety         'C68 H58 N6, 4(C H Cl3)'
_chemical_formula_weight         1436.68


#------------------ CRYSTAL DATA INFORMATION --------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2


#------------------ UNIT CELL INFORMATION -----------------------------------#

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.5091(15)
_cell_length_b                   13.741(2)
_cell_length_c                   15.4120(18)
_cell_angle_alpha                62.573(4)
_cell_angle_beta                 73.988(6)
_cell_angle_gamma                87.296(7)
_cell_volume                     1710.6(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    113(2)
_cell_measurement_reflns_used    4713
_cell_measurement_theta_min      3.0166
_cell_measurement_theta_max      27.4797

#------------------ CRYSTAL INFORMATION -------------------------------------#

_exptl_crystal_description       Block
_exptl_crystal_colour            Brown
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             740
_exptl_absorpt_coefficient_mu    0.533
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_absorpt_correction_T_min  0.7764
_exptl_absorpt_correction_T_max  0.9009

#------------------ DATA COLLECTION INFORMATION -----------------------------#

_diffrn_radiation_wavelength     0.7107
_diffrn_radiation_type           MoK\a
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            13405
_diffrn_reflns_av_R_equivalents  0.0152
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.02
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_full        25
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measured_fraction_theta_full 0.972
_reflns_number_total             7471
_reflns_number_gt                6326
_reflns_threshold_expression     >2sigma(I)

#------------------ COMPUTER PROGRAMS USED ----------------------------------#

_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'

#------------------ REFINEMENT INFORMATION ----------------------------------#

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0763P)²+1.1356P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    refall
_refine_ls_extinction_method     none
_refine_ls_number_reflns         7471
_refine_ls_number_parameters     530
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0515
_refine_ls_wR_factor_ref         0.1393
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         0.852
_refine_diff_density_min         -0.803

#------------------ ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS --------#

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
_atom_site_disorder_assembly
Cl4 Cl 0.10143(6) 0.37713(5) 0.27011(4) 0.03715(15) Uani 1 d . . .
Cl2 Cl 0.40607(7) 0.46577(6) 0.63332(6) 0.04550(17) Uani 1 d . . .
Cl3 Cl 0.10236(8) 0.38233(5) 0.73806(6) 0.04813(19) Uani 1 d . . .
Cl1 Cl 0.18929(10) 0.53811(6) 0.52379(6) 0.0558(2) Uani 1 d . . .
Cl6 Cl 0.30194(9) 0.36962(6) 0.38238(6) 0.0536(2) Uani 1 d . . .
Cl5 Cl 0.37965(9) 0.28767(7) 0.23487(6) 0.0599(2) Uani 1 d . . .
N2 N 0.88752(17) 0.16311(13) 0.28735(12) 0.0195(3) Uani 1 d . . .
N3 N 0.7653(2) 0.43015(14) 0.19336(13) 0.0273(4) Uani 1 d . . .
C21 C 0.4823(2) 0.19311(15) 0.57511(14) 0.0200(4) Uani 1 d . . .
C20 C 0.3677(2) 0.17268(15) 0.66149(14) 0.0198(4) Uani 1 d . . .
C23 C 0.0668(2) 0.10882(15) 0.80684(14) 0.0180(4) Uani 1 d . . .
C16 C 0.54681(19) 0.10651(15) 0.55998(14) 0.0177(4) Uani 1 d . . .
N1 N 0.95388(19) -0.11142(14) 0.44883(13) 0.0239(4) Uani 1 d . . .
C24 C -0.05164(19) 0.10912(14) 0.88385(14) 0.0172(4) Uani 1 d . . .
C27 C -0.2992(2) 0.08921(15) 1.04565(15) 0.0193(4) Uani 1 d . . .
C22 C 0.1863(2) 0.04692(15) 0.82559(14) 0.0181(4) Uani 1 d . . .
C31 C -0.4249(2) 0.22808(17) 0.91676(15) 0.0225(4) Uani 1 d . . .
C6 C 0.87609(19) 0.07209(15) 0.37586(14) 0.0185(4) Uani 1 d . . .
C28 C -0.1835(2) 0.02865(15) 1.07326(14) 0.0183(4) Uani 1 d . . .
C18 C 0.3783(2) -0.02164(15) 0.72104(14) 0.0179(4) Uani 1 d . . .
C26 C -0.2949(2) 0.16150(16) 0.94379(15) 0.0200(4) Uani 1 d . . .
C29 C -0.0366(2) 0.05310(16) 0.99123(15) 0.0219(4) Uani 1 d . . .
C4 C 1.1145(2) 0.02538(17) 0.29105(16) 0.0226(4) Uani 1 d . . .
C11 C 0.8010(2) 0.33630(16) 0.18929(15) 0.0211(4) Uani 1 d . . .
C25 C -0.1722(2) 0.16852(15) 0.86532(15) 0.0193(4) Uani 1 d . . .
C10 C 0.7918(2) 0.23762(15) 0.28863(14) 0.0190(4) Uani 1 d . . .
C9 C 0.6815(2) 0.22372(15) 0.37565(15) 0.0195(4) Uani 1 d . . .
C12 C 0.8401(2) 0.32925(18) 0.09840(16) 0.0280(4) Uani 1 d . . .
C8 C 0.6674(2) 0.12760(15) 0.46730(14) 0.0183(4) Uani 1 d . . .
C17 C 0.4927(2) -0.00102(15) 0.63446(14) 0.0187(4) Uani 1 d . . .
C7 C 0.7691(2) 0.05120(16) 0.46640(14) 0.0192(4) Uani 1 d . . .
C14 C 0.8001(3) 0.5186(2) 0.01270(18) 0.0355(5) Uani 1 d . . .
C19 C 0.31306(19) 0.06504(15) 0.73610(14) 0.0170(3) Uani 1 d . . .
C3 C 1.2132(2) -0.05164(18) 0.28904(16) 0.0248(4) Uani 1 d . . .
C32 C -0.3713(3) 0.3502(2) 0.8523(3) 0.0464(7) Uani 1 d . . .
C30 C 0.0598(2) 0.13657(17) 0.99836(17) 0.0252(4) Uani 1 d . . .
C33 C -0.4896(3) 0.1913(2) 0.8553(2) 0.0362(5) Uani 1 d . . .
C35 C 0.2232(3) 0.49689(18) 0.64160(18) 0.0315(5) Uani 1 d . . .
C5 C 0.9854(2) -0.00818(16) 0.37225(14) 0.0201(4) Uani 1 d . . .
C13 C 0.8389(3) 0.4220(2) 0.00936(18) 0.0343(5) Uani 1 d . . .
C1 C 1.0505(2) -0.18425(18) 0.44421(16) 0.0265(4) Uani 1 d . . .
C2 C 1.1806(2) -0.15862(18) 0.36653(16) 0.0252(4) Uani 1 d . . .
C34 C -0.5478(4) 0.2116(3) 1.0119(2) 0.0562(10) Uani 1 d . . .
C15 C 0.7659(3) 0.51880(19) 0.10570(18) 0.0340(5) Uani 1 d . . .
C36 C 0.2362(3) 0.30310(19) 0.32662(18) 0.0311(5) Uani 1 d . . .
H13 H 0.325(3) 0.235(2) 0.6716(18) 0.025(6) Uiso 1 d . . .
H17 H -0.385(3) 0.079(2) 1.0985(19) 0.026(6) Uiso 1 d . . .
H6 H 0.614(3) 0.277(2) 0.372(2) 0.035(7) Uiso 1 d . . .
H14 H 0.521(3) 0.270(2) 0.5240(18) 0.022(6) Uiso 1 d . . .
H4 H 1.131(3) 0.096(2) 0.2430(19) 0.025(6) Uiso 1 d . . .
H11 H 0.534(3) -0.063(2) 0.6231(19) 0.028(6) Uiso 1 d . . .
H30 H 0.211(3) 0.553(2) 0.6596(19) 0.027(6) Uiso 1 d . . .
H19 H 0.076(3) 0.103(2) 1.062(2) 0.025(6) Uiso 1 d . . .
H16 H -0.170(2) 0.2136(19) 0.7954(18) 0.019(5) Uiso 1 d . . .
H12 H 0.344(3) -0.093(2) 0.7676(19) 0.025(6) Uiso 1 d . . .
H5 H 0.770(3) -0.016(2) 0.5304(19) 0.024(6) Uiso 1 d . . .
H15 H 0.064(3) 0.155(2) 0.735(2) 0.028(6) Uiso 1 d . . .
H2 H 1.246(3) -0.214(2) 0.367(2) 0.035(7) Uiso 1 d . . .
H10 H 0.742(3) 0.589(2) 0.109(2) 0.036(7) Uiso 1 d . . .
H1 H 1.021(3) -0.257(2) 0.4998(19) 0.025(6) Uiso 1 d . . .
H18 H 0.008(3) 0.211(2) 0.980(2) 0.033(7) Uiso 1 d . . .
H23 H -0.456(3) 0.397(2) 0.830(2) 0.044(8) Uiso 1 d . . .
H3 H 1.308(3) -0.027(2) 0.231(2) 0.039(7) Uiso 1 d . . .
H20 H 0.162(3) 0.151(2) 0.950(2) 0.044(8) Uiso 1 d . . .
H9 H 0.804(3) 0.583(3) -0.049(2) 0.048(8) Uiso 1 d . . .
H8 H 0.859(3) 0.420(2) -0.051(2) 0.043(8) Uiso 1 d . . .
H24 H -0.576(3) 0.232(3) 0.837(2) 0.046(8) Uiso 1 d . . .
H7 H 0.871(3) 0.256(2) 0.099(2) 0.040(7) Uiso 1 d . . .
H31 H 0.195(3) 0.235(3) 0.373(2) 0.045(8) Uiso 1 d . . .
H25 H -0.422(4) 0.203(3) 0.793(3) 0.057(9) Uiso 1 d . . .
H22 H -0.291(4) 0.364(3) 0.788(2) 0.050(9) Uiso 1 d . . .
H27 H -0.628(4) 0.262(3) 0.988(3) 0.067(10) Uiso 1 d . . .
H26 H -0.521(4) 0.112(3) 0.898(3) 0.070(11) Uiso 1 d . . .
H28 H -0.513(4) 0.229(3) 1.055(3) 0.052(9) Uiso 1 d . . .
H21 H -0.340(4) 0.376(3) 0.897(3) 0.071(11) Uiso 1 d . . .
H29 H -0.589(5) 0.134(4) 1.057(3) 0.080(13) Uiso 1 d . . .



#------------------ MOLECULAR GEOMETRY --------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cl4 C36 1.764(2) . ?
Cl2 C35 1.755(3) . ?
Cl3 C35 1.755(2) . ?
Cl1 C35 1.755(3) . ?
Cl6 C36 1.743(3) . ?
Cl5 C36 1.758(2) . ?
N2 C6 1.340(2) . ?
N2 C10 1.341(2) . ?
N3 C15 1.338(3) . ?
N3 C11 1.343(3) . ?
C21 C20 1.387(3) . ?
C21 C16 1.398(3) . ?
C21 H14 0.99(2) . ?
C20 C19 1.399(3) . ?
C20 H13 0.99(2) . ?
C23 C24 1.394(3) . ?
C23 C22 1.400(2) . ?
C23 H15 0.99(3) . ?
C16 C17 1.396(3) . ?
C16 C8 1.478(3) . ?
N1 C1 1.339(3) . ?
N1 C5 1.341(3) . ?
C24 C25 1.393(2) . ?
C24 C29 1.516(3) . ?
C27 C28 1.389(2) . ?
C27 C26 1.409(3) . ?
C27 H17 0.94(3) . ?
C22 C28 1.413(3) 2_557 ?
C22 C19 1.487(2) . ?
C31 C33 1.525(3) . ?
C31 C32 1.526(3) . ?
C31 C34 1.530(3) . ?
C31 C26 1.538(2) . ?
C6 C7 1.393(3) . ?
C6 C5 1.489(3) . ?
C28 C22 1.413(3) 2_557 ?
C28 C29 1.530(3) . ?
C18 C17 1.387(3) . ?
C18 C19 1.401(2) . ?
C18 H12 0.91(3) . ?
C26 C25 1.399(3) . ?
C29 C29 1.527(4) 2_557 ?
C29 C30 1.562(3) . ?
C4 C3 1.387(3) . ?
C4 C5 1.400(3) . ?
C4 H4 0.89(3) . ?
C11 C12 1.394(3) . ?
C11 C10 1.488(3) . ?
C25 H16 0.96(2) . ?
C10 C9 1.393(3) . ?
C9 C8 1.397(3) . ?
C9 H6 0.94(3) . ?
C12 C13 1.380(3) . ?
C12 H7 1.03(3) . ?
C8 C7 1.396(3) . ?
C17 H11 0.99(3) . ?
C7 H5 1.00(2) . ?
C14 C15 1.381(4) . ?
C14 C13 1.381(4) . ?
C14 H9 0.95(3) . ?
C3 C2 1.380(3) . ?
C3 H3 1.02(3) . ?
C32 H23 1.04(3) . ?
C32 H22 1.01(3) . ?
C32 H21 1.01(4) . ?
C30 H19 0.93(3) . ?
C30 H18 1.06(3) . ?
C30 H20 1.01(3) . ?
C33 H24 1.00(3) . ?
C33 H25 0.94(4) . ?
C33 H26 0.99(4) . ?
C35 H30 0.92(3) . ?
C13 H8 0.91(3) . ?
C1 C2 1.387(3) . ?
C1 H1 0.96(3) . ?
C2 H2 0.96(3) . ?
C34 H27 1.03(4) . ?
C34 H28 0.95(3) . ?
C34 H29 0.99(4) . ?
C15 H10 1.00(3) . ?
C36 H31 0.90(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 N2 C10 117.06(16) . . ?
C15 N3 C11 117.32(19) . . ?
C20 C21 C16 120.92(17) . . ?
C20 C21 H14 120.1(14) . . ?
C16 C21 H14 119.0(14) . . ?
C21 C20 C19 121.14(17) . . ?
C21 C20 H13 119.8(14) . . ?
C19 C20 H13 119.1(14) . . ?
C24 C23 C22 123.48(17) . . ?
C24 C23 H15 117.3(15) . . ?
C22 C23 H15 119.2(15) . . ?
C17 C16 C21 118.05(17) . . ?
C17 C16 C8 120.69(17) . . ?
C21 C16 C8 121.25(17) . . ?
C1 N1 C5 117.20(17) . . ?
C25 C24 C23 123.48(17) . . ?
C25 C24 C29 119.16(16) . . ?
C23 C24 C29 116.89(16) . . ?
C28 C27 C26 123.31(17) . . ?
C28 C27 H17 117.1(15) . . ?
C26 C27 H17 119.5(15) . . ?
C23 C22 C28 119.89(16) . 2_557 ?
C23 C22 C19 117.50(16) . . ?
C28 C22 C19 122.61(16) 2_557 . ?
C33 C31 C32 108.7(2) . . ?
C33 C31 C34 107.6(2) . . ?
C32 C31 C34 109.2(2) . . ?
C33 C31 C26 109.63(17) . . ?
C32 C31 C26 109.52(17) . . ?
C34 C31 C26 112.10(17) . . ?
N2 C6 C7 123.32(17) . . ?
N2 C6 C5 115.75(16) . . ?
C7 C6 C5 120.92(17) . . ?
C27 C28 C22 124.57(17) . 2_557 ?
C27 C28 C29 118.44(16) . . ?
C22 C28 C29 116.66(15) 2_557 . ?
C17 C18 C19 120.90(17) . . ?
C17 C18 H12 119.0(15) . . ?
C19 C18 H12 120.0(15) . . ?
C25 C26 C27 118.98(16) . . ?
C25 C26 C31 119.37(17) . . ?
C27 C26 C31 121.58(16) . . ?
C24 C29 C29 109.0(2) . 2_557 ?
C24 C29 C28 113.05(15) . . ?
C29 C29 C28 110.2(2) 2_557 . ?
C24 C29 C30 106.25(16) . . ?
C29 C29 C30 111.5(2) 2_557 . ?
C28 C29 C30 106.75(16) . . ?
C3 C4 C5 118.68(19) . . ?
C3 C4 H4 122.6(16) . . ?
C5 C4 H4 118.7(16) . . ?
N3 C11 C12 122.72(19) . . ?
N3 C11 C10 116.16(17) . . ?
C12 C11 C10 121.09(18) . . ?
C24 C25 C26 122.62(17) . . ?
C24 C25 H16 117.3(14) . . ?
C26 C25 H16 120.0(14) . . ?
N2 C10 C9 123.49(17) . . ?
N2 C10 C11 116.78(16) . . ?
C9 C10 C11 119.62(16) . . ?
C10 C9 C8 119.41(17) . . ?
C10 C9 H6 120.1(16) . . ?
C8 C9 H6 120.4(16) . . ?
C13 C12 C11 118.5(2) . . ?
C13 C12 H7 121.9(16) . . ?
C11 C12 H7 119.6(16) . . ?
C7 C8 C9 117.04(17) . . ?
C7 C8 C16 121.70(17) . . ?
C9 C8 C16 121.23(16) . . ?
C18 C17 C16 121.12(17) . . ?
C18 C17 H11 119.9(15) . . ?
C16 C17 H11 118.9(15) . . ?
C6 C7 C8 119.65(17) . . ?
C6 C7 H5 119.3(14) . . ?
C8 C7 H5 120.9(14) . . ?
C15 C14 C13 118.3(2) . . ?
C15 C14 H9 121.9(19) . . ?
C13 C14 H9 119.7(19) . . ?
C20 C19 C18 117.87(16) . . ?
C20 C19 C22 119.33(16) . . ?
C18 C19 C22 122.77(16) . . ?
C2 C3 C4 119.02(19) . . ?
C2 C3 H3 122.1(16) . . ?
C4 C3 H3 118.9(16) . . ?
C31 C32 H23 111.2(17) . . ?
C31 C32 H22 111.3(19) . . ?
H23 C32 H22 107(2) . . ?
C31 C32 H21 108(2) . . ?
H23 C32 H21 106(3) . . ?
H22 C32 H21 113(3) . . ?
C29 C30 H19 108.5(15) . . ?
C29 C30 H18 108.6(15) . . ?
H19 C30 H18 116(2) . . ?
C29 C30 H20 110.7(17) . . ?
H19 C30 H20 103(2) . . ?
H18 C30 H20 110(2) . . ?
C31 C33 H24 112.2(18) . . ?
C31 C33 H25 113(2) . . ?
H24 C33 H25 106(3) . . ?
C31 C33 H26 107(2) . . ?
H24 C33 H26 109(3) . . ?
H25 C33 H26 109(3) . . ?
Cl2 C35 Cl1 110.00(13) . . ?
Cl2 C35 Cl3 110.28(13) . . ?
Cl1 C35 Cl3 110.51(14) . . ?
Cl2 C35 H30 106.7(16) . . ?
Cl1 C35 H30 111.0(16) . . ?
Cl3 C35 H30 108.2(16) . . ?
N1 C5 C4 122.76(17) . . ?
N1 C5 C6 117.25(16) . . ?
C4 C5 C6 120.00(17) . . ?
C12 C13 C14 119.3(2) . . ?
C12 C13 H8 121.2(19) . . ?
C14 C13 H8 119.4(19) . . ?
N1 C1 C2 124.0(2) . . ?
N1 C1 H1 113.7(15) . . ?
C2 C1 H1 122.3(15) . . ?
C3 C2 C1 118.31(18) . . ?
C3 C2 H2 121.1(16) . . ?
C1 C2 H2 120.6(16) . . ?
C31 C34 H27 108(2) . . ?
C31 C34 H28 111(2) . . ?
H27 C34 H28 110(3) . . ?
C31 C34 H29 114(2) . . ?
H27 C34 H29 111(3) . . ?
H28 C34 H29 103(3) . . ?
N3 C15 C14 123.8(2) . . ?
N3 C15 H10 116.4(16) . . ?
C14 C15 H10 119.7(16) . . ?
Cl6 C36 Cl5 111.12(13) . . ?
Cl6 C36 Cl4 110.22(13) . . ?
Cl5 C36 Cl4 109.97(13) . . ?
Cl6 C36 H31 111.1(19) . . ?
Cl5 C36 H31 106(2) . . ?
Cl4 C36 H31 108(2) . . ?

_database_code_depnum_ccdc_archive 'CCDC 956991'
