# 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 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 1571951'
_audit_update_record             
;
2018-03-23 deposited with the CCDC.
2018-04-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C66 H42 Ho N9 O6'
_chemical_formula_weight         1222.01

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 0.0000 0.0000 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ho Ho -0.2175 4.6783 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   33.823(2)
_cell_length_b                   13.7794(10)
_cell_length_c                   12.2450(9)
_cell_angle_alpha                90
_cell_angle_beta                 109.0973(9)
_cell_angle_gamma                90
_cell_volume                     5392.8(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9962
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      27.43

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_F_000             2464
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    1.532
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23201
_diffrn_reflns_av_unetI/netI     0.0262
_diffrn_reflns_av_R_equivalents  0.0278
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.226
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             6113
_reflns_number_gt                5684
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0364P)²+8.9624P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6113
_refine_ls_number_parameters     373
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0312
_refine_ls_R_factor_gt           0.0275
_refine_ls_wR_factor_ref         0.0716
_refine_ls_wR_factor_gt          0.0702
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_restrained_S_all      1.083
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ho1 Ho 0.5000 0.26568(2) 0.7500 0.02085(6) Uani 1 2 d S T P . .
C3 C 0.24336(14) 0.3625(3) -0.3821(3) 0.0606(10) Uani 1 1 d . . . . .
H3A H 0.2214 0.3659 -0.4517 0.073 Uiso 1 1 calc R U . . .
C2 C 0.28321(15) 0.3438(4) -0.3807(4) 0.0723(12) Uani 1 1 d . . . . .
H2A H 0.2889 0.3332 -0.4491 0.087 Uiso 1 1 calc R U . . .
C1 C 0.31463(15) 0.3409(4) -0.2761(4) 0.0821(15) Uani 1 1 d . . . . .
H1A H 0.3418 0.3299 -0.2759 0.098 Uiso 1 1 calc R U . . .
N1 N 0.30857(10) 0.3529(3) -0.1746(3) 0.0614(9) Uani 1 1 d . . . . .
C5 C 0.26942(10) 0.3691(2) -0.1762(3) 0.0401(7) Uani 1 1 d . . . . .
C6 C 0.26328(9) 0.3757(2) -0.0623(3) 0.0358(6) Uani 1 1 d . . . . .
C7 C 0.29555(9) 0.3525(2) 0.0386(3) 0.0383(7) Uani 1 1 d . . . . .
H7A H 0.3219 0.3369 0.0354 0.046 Uiso 1 1 calc R U . . .
C8 C 0.28840(9) 0.3527(2) 0.1438(3) 0.0351(6) Uani 1 1 d . . . . .
C9 C 0.24846(9) 0.3771(2) 0.1435(3) 0.0369(6) Uani 1 1 d . . . . .
H9A H 0.2423 0.3781 0.2121 0.044 Uiso 1 1 calc R U . . .
C10 C 0.21784(9) 0.4000(2) 0.0391(3) 0.0368(6) Uani 1 1 d . . . . .
C11 C 0.17442(9) 0.4273(3) 0.0344(3) 0.0448(8) Uani 1 1 d . . . . .
N3 N 0.16374(9) 0.4072(3) 0.1273(3) 0.0569(8) Uani 1 1 d . . . . .
C15 C 0.12429(13) 0.4311(4) 0.1213(4) 0.0746(14) Uani 1 1 d . . . . .
H15A H 0.1158 0.4168 0.1844 0.089 Uiso 1 1 calc R U . . .
C14 C 0.09644(13) 0.4747(4) 0.0281(5) 0.0889(18) Uani 1 1 d . . . . .
H14A H 0.0695 0.4891 0.0278 0.107 Uiso 1 1 calc R U . . .
C13 C 0.10828(13) 0.4968(4) -0.0638(5) 0.0890(17) Uani 1 1 d . . . . .
H13A H 0.0899 0.5283 -0.1275 0.107 Uiso 1 1 calc R U . . .
C16 C 0.38470(9) 0.2358(2) 0.3511(3) 0.0380(7) Uani 1 1 d . . . . .
H16A H 0.4042 0.1889 0.3493 0.046 Uiso 1 1 calc R U . . .
C17 C 0.35207(10) 0.2576(2) 0.2515(3) 0.0401(7) Uani 1 1 d . . . . .
H17A H 0.3499 0.2252 0.1832 0.048 Uiso 1 1 calc R U . . .
C18 C 0.32238(8) 0.3275(2) 0.2521(2) 0.0327(6) Uani 1 1 d . . . . .
C19 C 0.32567(9) 0.3732(2) 0.3562(3) 0.0368(6) Uani 1 1 d . . . . .
H19A H 0.3058 0.4188 0.3590 0.044 Uiso 1 1 calc R U . . .
C20 C 0.35836(9) 0.3511(2) 0.4553(2) 0.0335(6) Uani 1 1 d . . . . .
H20A H 0.3602 0.3821 0.5243 0.040 Uiso 1 1 calc R U . . .
C21 C 0.38838(8) 0.2838(2) 0.4537(2) 0.0293(6) Uani 1 1 d . . . . .
C22 C 0.42639(9) 0.2686(2) 0.5589(2) 0.0302(6) Uani 1 1 d . . . . .
C23 C 0.44593(10) 0.2839(2) 0.9326(3) 0.0346(6) Uani 1 1 d . . . . .
H23A H 0.4514 0.2176 0.9359 0.041 Uiso 1 1 calc R U . . .
C24 C 0.41784(10) 0.3179(2) 0.9825(3) 0.0441(8) Uani 1 1 d . . . . .
H24A H 0.4045 0.2756 1.0184 0.053 Uiso 1 1 calc R U . . .
C25 C 0.40980(12) 0.4154(3) 0.9785(4) 0.0547(10) Uani 1 1 d . . . . .
H25A H 0.3912 0.4406 1.0128 0.066 Uiso 1 1 calc R U . . .
C26 C 0.42967(11) 0.4760(2) 0.9228(3) 0.0509(9) Uani 1 1 d . . . . .
H26A H 0.4243 0.5423 0.9182 0.061 Uiso 1 1 calc R U . . .
C27 C 0.45773(8) 0.43651(18) 0.8739(2) 0.0264(5) Uani 1 1 d . . . . .
C28 C 0.47940(8) 0.49635(18) 0.8092(2) 0.0265(5) Uani 1 1 d . . . . .
C29 C 0.47845(9) 0.59662(18) 0.8099(2) 0.0291(6) Uani 1 1 d . . . . .
H29A H 0.4634 0.6290 0.8503 0.035 Uiso 1 1 calc R U . . .
C30 C 0.5000 0.6493(2) 0.7500 0.0262(7) Uani 1 2 d S T P . .
C31 C 0.5000 0.7573(2) 0.7500 0.0254(7) Uani 1 2 d S T P . .
C32 C 0.48705(9) 0.8091(2) 0.8302(3) 0.0333(6) Uani 1 1 d . . . . .
H32A H 0.4786 0.7759 0.8849 0.040 Uiso 1 1 calc R U . . .
C33 C 0.5000 0.0693(2) 0.7500 0.0246(7) Uani 1 2 d S T P . .
C34 C 0.5000 -0.0395(2) 0.7500 0.0254(7) Uani 1 2 d S T P . .
C35 C 0.51332(9) -0.09046(19) 0.6712(3) 0.0323(6) Uani 1 1 d . . . . .
H35A H 0.5226 -0.0568 0.6184 0.039 Uiso 1 1 calc R U . . .
C4 C 0.23624(11) 0.3764(3) -0.2786(3) 0.0476(8) Uani 1 1 d . . . . .
H4A H 0.2095 0.3905 -0.2775 0.057 Uiso 1 1 calc R U . . .
N2 N 0.22485(7) 0.40022(19) -0.0619(2) 0.0366(5) Uani 1 1 d . . . . .
C12 C 0.14780(12) 0.4724(4) -0.0624(4) 0.0683(12) Uani 1 1 d . . . . .
H12A H 0.1564 0.4859 -0.1255 0.082 Uiso 1 1 calc R U . . .
N4 N 0.46589(7) 0.34139(15) 0.87940(18) 0.0246(4) Uani 1 1 d . . . . .
N5 N 0.5000 0.4461(2) 0.7500 0.0247(6) Uani 1 2 d S T P . .
O1 O 0.45632(7) 0.21915(17) 0.55291(18) 0.0427(5) Uani 1 1 d . . . . .
O2 O 0.42812(7) 0.31095(19) 0.65151(19) 0.0518(6) Uani 1 1 d . . . . .
O3 O 0.47403(6) 0.11326(13) 0.78582(17) 0.0313(4) Uani 1 1 d . . . . .


_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
Ho1 O3 2.3721(18) 2_656 ?
Ho1 O3 2.3721(18) . ?
Ho1 O2 2.416(2) . ?
Ho1 O2 2.416(2) 2_656 ?
Ho1 O1 2.467(2) 2_656 ?
Ho1 O1 2.467(2) . ?
Ho1 N4 2.475(2) . ?
Ho1 N4 2.475(2) 2_656 ?
Ho1 N5 2.486(3) . ?
Ho1 C33 2.706(3) . ?
Ho1 C22 2.804(3) 2_656 ?
Ho1 C22 2.804(3) . ?
C3 C2 1.367(6) . ?
C3 C4 1.379(5) . ?
C3 H3A 0.9300 . ?
C2 C1 1.372(6) . ?
C2 H2A 0.9300 . ?
C1 N1 1.335(5) . ?
C1 H1A 0.9300 . ?
N1 C5 1.336(4) . ?
C5 C4 1.386(5) . ?
C5 C6 1.479(4) . ?
C6 N2 1.344(4) . ?
C6 C7 1.391(4) . ?
C7 C8 1.386(4) . ?
C7 H7A 0.9300 . ?
C8 C9 1.391(4) . ?
C8 C18 1.485(4) . ?
C9 C10 1.392(4) . ?
C9 H9A 0.9300 . ?
C10 N2 1.334(4) . ?
C10 C11 1.498(4) . ?
C11 N3 1.331(5) . ?
C11 C12 1.379(5) . ?
N3 C15 1.352(5) . ?
C15 C14 1.359(7) . ?
C15 H15A 0.9300 . ?
C14 C13 1.348(8) . ?
C14 H14A 0.9300 . ?
C13 C12 1.373(6) . ?
C13 H13A 0.9300 . ?
C16 C17 1.384(4) . ?
C16 C21 1.389(4) . ?
C16 H16A 0.9300 . ?
C17 C18 1.393(4) . ?
C17 H17A 0.9300 . ?
C18 C19 1.393(4) . ?
C19 C20 1.382(4) . ?
C19 H19A 0.9300 . ?
C20 C21 1.380(4) . ?
C20 H20A 0.9300 . ?
C21 C22 1.508(4) . ?
C22 O1 1.242(4) . ?
C22 O2 1.260(4) . ?
C23 N4 1.341(3) . ?
C23 C24 1.370(4) . ?
C23 H23A 0.9300 . ?
C24 C25 1.369(5) . ?
C24 H24A 0.9300 . ?
C25 C26 1.383(4) . ?
C25 H25A 0.9300 . ?
C26 C27 1.388(4) . ?
C26 H26A 0.9300 . ?
C27 N4 1.337(3) . ?
C27 C28 1.492(3) . ?
C28 N5 1.349(3) . ?
C28 C29 1.382(4) . ?
C29 C30 1.395(3) . ?
C29 H29A 0.9300 . ?
C30 C29 1.395(3) 2_656 ?
C30 C31 1.488(4) . ?
C31 C32 1.395(3) 2_656 ?
C31 C32 1.395(3) . ?
C32 C35 1.384(4) 2_666 ?
C32 H32A 0.9300 . ?
C33 O3 1.258(2) 2_656 ?
C33 O3 1.258(2) . ?
C33 C34 1.499(5) . ?
C34 C35 1.382(3) . ?
C34 C35 1.382(3) 2_656 ?
C35 C32 1.384(4) 2_646 ?
C35 H35A 0.9300 . ?
C4 H4A 0.9300 . ?
C12 H12A 0.9300 . ?
N5 C28 1.349(3) 2_656 ?

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
O3 Ho1 O3 55.40(9) 2_656 . ?
O3 Ho1 O2 120.62(8) 2_656 . ?
O3 Ho1 O2 87.01(8) . . ?
O3 Ho1 O2 87.01(8) 2_656 2_656 ?
O3 Ho1 O2 120.62(7) . 2_656 ?
O2 Ho1 O2 150.07(13) . 2_656 ?
O3 Ho1 O1 79.13(7) 2_656 2_656 ?
O3 Ho1 O1 74.24(7) . 2_656 ?
O2 Ho1 O1 137.58(8) . 2_656 ?
O2 Ho1 O1 52.84(7) 2_656 2_656 ?
O3 Ho1 O1 74.24(7) 2_656 . ?
O3 Ho1 O1 79.12(7) . . ?
O2 Ho1 O1 52.84(7) . . ?
O2 Ho1 O1 137.58(8) 2_656 . ?
O1 Ho1 O1 149.87(11) 2_656 . ?
O3 Ho1 N4 140.34(7) 2_656 . ?
O3 Ho1 N4 88.65(6) . . ?
O2 Ho1 N4 66.86(7) . . ?
O2 Ho1 N4 100.10(8) 2_656 . ?
O1 Ho1 N4 74.85(7) 2_656 . ?
O1 Ho1 N4 118.72(7) . . ?
O3 Ho1 N4 88.65(6) 2_656 2_656 ?
O3 Ho1 N4 140.34(7) . 2_656 ?
O2 Ho1 N4 100.10(8) . 2_656 ?
O2 Ho1 N4 66.86(7) 2_656 2_656 ?
O1 Ho1 N4 118.72(7) 2_656 2_656 ?
O1 Ho1 N4 74.85(7) . 2_656 ?
N4 Ho1 N4 130.14(9) . 2_656 ?
O3 Ho1 N5 152.30(4) 2_656 . ?
O3 Ho1 N5 152.30(4) . . ?
O2 Ho1 N5 75.04(6) . . ?
O2 Ho1 N5 75.04(6) 2_656 . ?
O1 Ho1 N5 105.07(6) 2_656 . ?
O1 Ho1 N5 105.07(6) . . ?
N4 Ho1 N5 65.07(5) . . ?
N4 Ho1 N5 65.07(5) 2_656 . ?
O3 Ho1 C33 27.70(4) 2_656 . ?
O3 Ho1 C33 27.70(4) . . ?
O2 Ho1 C33 104.96(6) . . ?
O2 Ho1 C33 104.96(6) 2_656 . ?
O1 Ho1 C33 74.93(6) 2_656 . ?
O1 Ho1 C33 74.93(6) . . ?
N4 Ho1 C33 114.93(5) . . ?
N4 Ho1 C33 114.93(5) 2_656 . ?
N5 Ho1 C33 180.0 . . ?
O3 Ho1 C22 83.43(7) 2_656 2_656 ?
O3 Ho1 C22 98.03(8) . 2_656 ?
O2 Ho1 C22 152.46(8) . 2_656 ?
O2 Ho1 C22 26.61(8) 2_656 2_656 ?
O1 Ho1 C22 26.28(8) 2_656 2_656 ?
O1 Ho1 C22 154.70(8) . 2_656 ?
N4 Ho1 C22 86.13(8) . 2_656 ?
N4 Ho1 C22 93.19(8) 2_656 2_656 ?
N5 Ho1 C22 89.18(6) . 2_656 ?
C33 Ho1 C22 90.82(6) . 2_656 ?
O3 Ho1 C22 98.03(8) 2_656 . ?
O3 Ho1 C22 83.42(7) . . ?
O2 Ho1 C22 26.61(8) . . ?
O2 Ho1 C22 152.46(8) 2_656 . ?
O1 Ho1 C22 154.70(8) 2_656 . ?
O1 Ho1 C22 26.28(8) . . ?
N4 Ho1 C22 93.19(8) . . ?
N4 Ho1 C22 86.13(8) 2_656 . ?
N5 Ho1 C22 89.19(6) . . ?
C33 Ho1 C22 90.81(6) . . ?
C22 Ho1 C22 178.37(11) 2_656 . ?
C2 C3 C4 118.9(4) . . ?
C2 C3 H3A 120.6 . . ?
C4 C3 H3A 120.6 . . ?
C3 C2 C1 118.5(4) . . ?
C3 C2 H2A 120.8 . . ?
C1 C2 H2A 120.8 . . ?
N1 C1 C2 123.9(4) . . ?
N1 C1 H1A 118.0 . . ?
C2 C1 H1A 118.0 . . ?
C1 N1 C5 117.4(3) . . ?
N1 C5 C4 122.0(3) . . ?
N1 C5 C6 116.1(3) . . ?
C4 C5 C6 121.8(3) . . ?
N2 C6 C7 122.2(3) . . ?
N2 C6 C5 116.9(3) . . ?
C7 C6 C5 120.8(3) . . ?
C8 C7 C6 120.0(3) . . ?
C8 C7 H7A 120.0 . . ?
C6 C7 H7A 120.0 . . ?
C7 C8 C9 117.5(3) . . ?
C7 C8 C18 120.7(3) . . ?
C9 C8 C18 121.8(3) . . ?
C8 C9 C10 119.2(3) . . ?
C8 C9 H9A 120.4 . . ?
C10 C9 H9A 120.4 . . ?
N2 C10 C9 123.2(3) . . ?
N2 C10 C11 115.6(3) . . ?
C9 C10 C11 121.2(3) . . ?
N3 C11 C12 123.0(3) . . ?
N3 C11 C10 116.8(3) . . ?
C12 C11 C10 120.2(3) . . ?
C11 N3 C15 116.3(4) . . ?
N3 C15 C14 123.6(5) . . ?
N3 C15 H15A 118.2 . . ?
C14 C15 H15A 118.2 . . ?
C13 C14 C15 119.2(4) . . ?
C13 C14 H14A 120.4 . . ?
C15 C14 H14A 120.4 . . ?
C14 C13 C12 119.2(5) . . ?
C14 C13 H13A 120.4 . . ?
C12 C13 H13A 120.4 . . ?
C17 C16 C21 120.2(3) . . ?
C17 C16 H16A 119.9 . . ?
C21 C16 H16A 119.9 . . ?
C16 C17 C18 120.9(3) . . ?
C16 C17 H17A 119.5 . . ?
C18 C17 H17A 119.5 . . ?
C17 C18 C19 118.4(3) . . ?
C17 C18 C8 120.4(3) . . ?
C19 C18 C8 121.2(3) . . ?
C20 C19 C18 120.4(3) . . ?
C20 C19 H19A 119.8 . . ?
C18 C19 H19A 119.8 . . ?
C21 C20 C19 121.0(3) . . ?
C21 C20 H20A 119.5 . . ?
C19 C20 H20A 119.5 . . ?
C20 C21 C16 119.0(3) . . ?
C20 C21 C22 120.4(3) . . ?
C16 C21 C22 120.4(3) . . ?
O1 C22 O2 120.6(3) . . ?
O1 C22 C21 120.6(3) . . ?
O2 C22 C21 118.7(3) . . ?
O1 C22 Ho1 61.53(15) . . ?
O2 C22 Ho1 59.23(15) . . ?
C21 C22 Ho1 172.35(19) . . ?
N4 C23 C24 123.2(3) . . ?
N4 C23 H23A 118.4 . . ?
C24 C23 H23A 118.4 . . ?
C25 C24 C23 118.6(3) . . ?
C25 C24 H24A 120.7 . . ?
C23 C24 H24A 120.7 . . ?
C24 C25 C26 119.2(3) . . ?
C24 C25 H25A 120.4 . . ?
C26 C25 H25A 120.4 . . ?
C25 C26 C27 119.2(3) . . ?
C25 C26 H26A 120.4 . . ?
C27 C26 H26A 120.4 . . ?
N4 C27 C26 121.4(2) . . ?
N4 C27 C28 116.1(2) . . ?
C26 C27 C28 122.5(2) . . ?
N5 C28 C29 122.3(2) . . ?
N5 C28 C27 115.6(2) . . ?
C29 C28 C27 122.2(2) . . ?
C28 C29 C30 120.0(2) . . ?
C28 C29 H29A 120.0 . . ?
C30 C29 H29A 120.0 . . ?
C29 C30 C29 117.3(3) . 2_656 ?
C29 C30 C31 121.37(16) . . ?
C29 C30 C31 121.36(16) 2_656 . ?
C32 C31 C32 118.5(3) 2_656 . ?
C32 C31 C30 120.77(16) 2_656 . ?
C32 C31 C30 120.77(16) . . ?
C35 C32 C31 120.5(3) 2_666 . ?
C35 C32 H32A 119.8 2_666 . ?
C31 C32 H32A 119.8 . . ?
O3 C33 O3 122.4(3) 2_656 . ?
O3 C33 C34 118.80(16) 2_656 . ?
O3 C33 C34 118.80(16) . . ?
O3 C33 Ho1 61.20(16) 2_656 . ?
O3 C33 Ho1 61.20(16) . . ?
C34 C33 Ho1 180.0 . . ?
C35 C34 C35 119.0(3) . 2_656 ?
C35 C34 C33 120.50(16) . . ?
C35 C34 C33 120.50(16) 2_656 . ?
C34 C35 C32 120.8(2) . 2_646 ?
C34 C35 H35A 119.6 . . ?
C32 C35 H35A 119.6 2_646 . ?
C3 C4 C5 119.2(3) . . ?
C3 C4 H4A 120.4 . . ?
C5 C4 H4A 120.4 . . ?
C10 N2 C6 117.9(2) . . ?
C13 C12 C11 118.7(4) . . ?
C13 C12 H12A 120.6 . . ?
C11 C12 H12A 120.6 . . ?
C27 N4 C23 118.4(2) . . ?
C27 N4 Ho1 120.87(16) . . ?
C23 N4 Ho1 118.46(17) . . ?
C28 N5 C28 118.2(3) . 2_656 ?
C28 N5 Ho1 120.89(15) . . ?
C28 N5 Ho1 120.89(15) 2_656 . ?
C22 O1 Ho1 92.20(17) . . ?
C22 O2 Ho1 94.15(17) . . ?
C33 O3 Ho1 91.10(17) . . ?

_refine_diff_density_max         0.788
_refine_diff_density_min         -0.799
_refine_diff_density_rms         0.080

