# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_ip455
_database_code_depnum_ccdc_archive 'CCDC 1057405'
_audit_update_record             
;
2015-04-01 deposited with the CCDC.
2016-06-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H43 Ho N2 O'
_chemical_formula_weight         612.59

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'
Ho Ho -0.2175 4.6783 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   12.872(3)
_cell_length_b                   14.491(3)
_cell_length_c                   15.056(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.37(3)
_cell_angle_gamma                90.00
_cell_volume                     2762.4(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    133(2)
_cell_measurement_reflns_used    44660
_cell_measurement_theta_min      1.91
_cell_measurement_theta_max      29.54

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1248
_exptl_absorpt_coefficient_mu    2.888
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_correction_T_min  0.1648
_exptl_absorpt_correction_T_max  0.1886
_exptl_crystal_size_rad          0.4400
_exptl_absorpt_process_details   
;
Interpolation using  Int.Tab. Vol. C (1992) p. 523,Tab. 6.3.3.3
for values of muR in the range 0-2.5, and Int.Tab. Vol.II (1959)
p.302; Table 5.3.6 B for muR in the range 2.6-10.0.
The interpolation procedure of C.W.Dwiggins Jr (Acta Cryst.(1975)
A31,146-148) is used with some modification.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      133(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            30635
_diffrn_reflns_av_R_equivalents  0.0647
_diffrn_reflns_av_sigmaI/netI    0.0387
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.92
_diffrn_reflns_theta_max         29.24
_reflns_number_total             7466
_reflns_number_gt                6365
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_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)+(0.0560P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7466
_refine_ls_number_parameters     307
_refine_ls_number_restraints     48
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0362
_refine_ls_wR_factor_ref         0.0881
_refine_ls_wR_factor_gt          0.0843
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.002
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ho Ho 0.895803(10) 0.341758(9) 0.180144(9) 0.02465(6) Uani 1 1 d . . .
C1 C 1.1009(2) 0.34761(19) 0.1486(2) 0.0215(5) Uani 1 1 d . . .
C2 C 1.2089(2) 0.34614(18) 0.13270(19) 0.0217(5) Uani 1 1 d . . .
C3 C 1.2958(3) 0.33778(19) 0.1157(2) 0.0231(5) Uani 1 1 d . . .
C4 C 1.3989(3) 0.3260(2) 0.0934(2) 0.0262(6) Uani 1 1 d . . .
H4 H 1.4550 0.3039 0.1438 0.031 Uiso 1 1 calc R . .
C5 C 1.4360(3) 0.3889(2) 0.0263(2) 0.0327(7) Uani 1 1 d . . .
H5A H 1.3871 0.4379 -0.0015 0.039 Uiso 1 1 calc R . .
H5B H 1.5116 0.4063 0.0372 0.039 Uiso 1 1 calc R . .
C6 C 1.4088(3) 0.2927(3) 0.0006(3) 0.0399(8) Uani 1 1 d . . .
H6A H 1.4674 0.2499 -0.0045 0.048 Uiso 1 1 calc R . .
H6B H 1.3428 0.2814 -0.0432 0.048 Uiso 1 1 calc R . .
C7 C 1.0374(3) 0.2685(2) 0.0057(2) 0.0318(7) Uani 1 1 d . . .
H7 H 1.1128 0.2761 -0.0010 0.038 Uiso 1 1 calc R . .
C8 C 0.9682(4) 0.3118(2) -0.0747(2) 0.0451(10) Uani 1 1 d . . .
H8A H 0.9895 0.3769 -0.0801 0.054 Uiso 1 1 calc R . .
H8B H 0.8940 0.3112 -0.0655 0.054 Uiso 1 1 calc R . .
C9 C 0.9758(4) 0.2606(3) -0.1622(2) 0.0488(11) Uani 1 1 d . . .
H9A H 0.9256 0.2883 -0.2127 0.059 Uiso 1 1 calc R . .
H9B H 1.0479 0.2677 -0.1755 0.059 Uiso 1 1 calc R . .
C10 C 0.9515(4) 0.1605(2) -0.1554(2) 0.0375(8) Uani 1 1 d . . .
H10A H 0.9612 0.1289 -0.2116 0.045 Uiso 1 1 calc R . .
H10B H 0.8768 0.1531 -0.1489 0.045 Uiso 1 1 calc R . .
C11 C 1.0216(5) 0.1165(3) -0.0764(3) 0.0575(14) Uani 1 1 d . . .
H11A H 1.0956 0.1174 -0.0862 0.069 Uiso 1 1 calc R . .
H11B H 1.0004 0.0513 -0.0712 0.069 Uiso 1 1 calc R . .
C12 C 1.0142(5) 0.1674(3) 0.0107(3) 0.0496(12) Uani 1 1 d . . .
H12A H 0.9422 0.1595 0.0242 0.059 Uiso 1 1 calc R . .
H12B H 1.0647 0.1396 0.0610 0.059 Uiso 1 1 calc R . .
C13 C 1.1504(3) 0.4270(2) 0.2921(2) 0.0258(6) Uani 1 1 d . . .
H13 H 1.2229 0.4040 0.2891 0.031 Uiso 1 1 calc R . .
C14 C 1.1464(4) 0.5305(3) 0.2742(3) 0.0434(9) Uani 1 1 d . . .
H14A H 1.0729 0.5526 0.2700 0.052 Uiso 1 1 calc R . .
H14B H 1.1684 0.5430 0.2157 0.052 Uiso 1 1 calc R . .
C15 C 1.2181(4) 0.5831(4) 0.3487(4) 0.0621(13) Uani 1 1 d . . .
H15A H 1.2924 0.5650 0.3495 0.075 Uiso 1 1 calc R . .
H15B H 1.2118 0.6501 0.3362 0.075 Uiso 1 1 calc R . .
C16 C 1.1897(4) 0.5636(4) 0.4398(3) 0.0592(13) Uani 1 1 d . . .
H16A H 1.1170 0.5856 0.4406 0.071 Uiso 1 1 calc R . .
H16B H 1.2385 0.5973 0.4871 0.071 Uiso 1 1 calc R . .
C17 C 1.1966(4) 0.4613(4) 0.4596(3) 0.0607(13) Uani 1 1 d . . .
H17A H 1.1743 0.4493 0.5182 0.073 Uiso 1 1 calc R . .
H17B H 1.2707 0.4406 0.4645 0.073 Uiso 1 1 calc R . .
C18 C 1.1266(4) 0.4068(3) 0.3856(2) 0.0451(9) Uani 1 1 d . . .
H18A H 1.1365 0.3401 0.3983 0.054 Uiso 1 1 calc R . .
H18B H 1.0517 0.4219 0.3863 0.054 Uiso 1 1 calc R . .
C19 C 0.7083(4) 0.3150(5) 0.0911(5) 0.080(2) Uani 1 1 d U . .
H19 H 0.6795 0.2709 0.0467 0.096 Uiso 1 1 calc R . .
C20 C 0.7030(3) 0.2893(4) 0.1809(5) 0.0675(15) Uani 1 1 d U . .
H20 H 0.6654 0.2333 0.1836 0.081 Uiso 1 1 calc R . .
C21 C 0.7387(4) 0.3254(5) 0.2649(4) 0.0668(17) Uani 1 1 d U . .
H21 H 0.7221 0.2866 0.3112 0.080 Uiso 1 1 calc R . .
C22 C 0.7904(4) 0.4003(5) 0.2984(3) 0.0660(15) Uani 1 1 d U . .
H22 H 0.8027 0.4004 0.3625 0.079 Uiso 1 1 calc R . .
C23 C 0.8295(4) 0.4752(4) 0.2660(4) 0.0665(15) Uani 1 1 d U . .
H23 H 0.8629 0.5149 0.3128 0.080 Uiso 1 1 calc R . .
C24 C 0.8338(4) 0.5092(3) 0.1837(5) 0.0631(14) Uani 1 1 d U . .
H24 H 0.8659 0.5684 0.1872 0.076 Uiso 1 1 calc R . .
C25 C 0.8039(4) 0.4806(4) 0.0952(4) 0.0667(16) Uani 1 1 d U . .
H25 H 0.8218 0.5237 0.0529 0.080 Uiso 1 1 calc R . .
C26 C 0.7521(4) 0.4007(6) 0.0536(3) 0.0745(19) Uani 1 1 d U . .
H26 H 0.7432 0.4013 -0.0104 0.089 Uiso 1 1 calc R . .
C27 C 0.8799(4) 0.1138(3) 0.2349(5) 0.0689(16) Uani 1 1 d . . .
H27A H 0.8586 0.0965 0.1705 0.083 Uiso 1 1 calc R . .
H27B H 0.8154 0.1278 0.2596 0.083 Uiso 1 1 calc R . .
C28 C 0.9384(3) 0.0378(3) 0.2856(3) 0.0456(9) Uani 1 1 d . . .
H28A H 0.9237 -0.0214 0.2529 0.055 Uiso 1 1 calc R . .
H28B H 0.9194 0.0317 0.3462 0.055 Uiso 1 1 calc R . .
C29 C 1.0519(4) 0.0645(3) 0.2927(5) 0.0693(16) Uani 1 1 d . . .
H29A H 1.0937 0.0433 0.3509 0.083 Uiso 1 1 calc R . .
H29B H 1.0820 0.0368 0.2429 0.083 Uiso 1 1 calc R . .
C30 C 1.0532(3) 0.1665(2) 0.2871(3) 0.0447(10) Uani 1 1 d . . .
H30A H 1.0704 0.1939 0.3482 0.054 Uiso 1 1 calc R . .
H30B H 1.1065 0.1872 0.2515 0.054 Uiso 1 1 calc R . .
N1 N 1.0220(2) 0.3148(2) 0.0882(2) 0.0320(6) Uani 1 1 d . . .
N2 N 1.0747(2) 0.37915(17) 0.22440(17) 0.0226(5) Uani 1 1 d . . .
O O 0.9491(2) 0.19370(16) 0.24337(19) 0.0369(6) 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
Ho N2 2.342(3) . ?
Ho N1 2.349(3) . ?
Ho O 2.397(2) . ?
Ho C26 2.552(5) . ?
Ho C23 2.557(4) . ?
Ho C25 2.557(4) . ?
Ho C24 2.558(4) . ?
Ho C22 2.569(4) . ?
Ho C19 2.570(5) . ?
Ho C21 2.588(4) . ?
Ho C20 2.598(4) . ?
Ho C1 2.767(3) . ?
C1 N1 1.324(4) . ?
C1 N2 1.329(4) . ?
C1 C2 1.453(4) . ?
C2 C3 1.197(4) . ?
C3 C4 1.437(4) . ?
C4 C5 1.502(4) . ?
C4 C6 1.506(5) . ?
C5 C6 1.473(5) . ?
C7 N1 1.457(4) . ?
C7 C12 1.500(5) . ?
C7 C8 1.504(6) . ?
C8 C9 1.530(5) . ?
C9 C10 1.491(5) . ?
C10 C11 1.500(6) . ?
C11 C12 1.522(5) . ?
C13 N2 1.453(4) . ?
C13 C18 1.521(5) . ?
C13 C14 1.523(5) . ?
C14 C15 1.523(6) . ?
C15 C16 1.508(7) . ?
C16 C17 1.512(8) . ?
C17 C18 1.522(6) . ?
C19 C20 1.417(10) . ?
C19 C26 1.514(11) . ?
C20 C21 1.369(9) . ?
C21 C22 1.324(9) . ?
C22 C23 1.325(9) . ?
C23 C24 1.345(9) . ?
C24 C25 1.381(9) . ?
C25 C26 1.423(10) . ?
C27 O 1.453(5) . ?
C27 C28 1.469(6) . ?
C28 C29 1.497(6) . ?
C29 C30 1.481(5) . ?
C30 O 1.437(5) . ?

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
N2 Ho N1 57.15(9) . . ?
N2 Ho O 84.13(9) . . ?
N1 Ho O 84.63(10) . . ?
N2 Ho C26 132.71(19) . . ?
N1 Ho C26 95.80(13) . . ?
O Ho C26 135.5(2) . . ?
N2 Ho C23 94.69(14) . . ?
N1 Ho C23 138.85(18) . . ?
O Ho C23 125.03(17) . . ?
C26 Ho C23 82.01(19) . . ?
N2 Ho C25 107.63(15) . . ?
N1 Ho C25 98.21(13) . . ?
O Ho C25 167.56(17) . . ?
C26 Ho C25 32.4(2) . . ?
C23 Ho C25 59.4(2) . . ?
N2 Ho C24 93.96(13) . . ?
N1 Ho C24 114.91(16) . . ?
O Ho C24 155.37(17) . . ?
C26 Ho C24 60.7(2) . . ?
C23 Ho C24 30.5(2) . . ?
C25 Ho C24 31.3(2) . . ?
N2 Ho C22 109.95(16) . . ?
N1 Ho C22 166.14(18) . . ?
O Ho C22 99.77(16) . . ?
C26 Ho C22 90.24(16) . . ?
C23 Ho C22 30.0(2) . . ?
C25 Ho C22 80.32(18) . . ?
C24 Ho C22 57.8(2) . . ?
N2 Ho C19 165.0(2) . . ?
N1 Ho C19 110.56(17) . . ?
O Ho C19 104.30(19) . . ?
C26 Ho C19 34.4(2) . . ?
C23 Ho C19 90.59(17) . . ?
C25 Ho C19 63.3(2) . . ?
C24 Ho C19 83.50(19) . . ?
C22 Ho C19 81.3(2) . . ?
N2 Ho C21 134.11(18) . . ?
N1 Ho C21 163.67(19) . . ?
O Ho C21 85.15(14) . . ?
C26 Ho C21 82.69(18) . . ?
C23 Ho C21 57.2(2) . . ?
C25 Ho C21 89.21(15) . . ?
C24 Ho C21 78.60(19) . . ?
C22 Ho C21 29.8(2) . . ?
C19 Ho C21 60.0(2) . . ?
N2 Ho C20 163.22(17) . . ?
N1 Ho C20 135.78(18) . . ?
O Ho C20 86.65(13) . . ?
C26 Ho C20 62.4(2) . . ?
C23 Ho C20 79.2(2) . . ?
C25 Ho C20 82.88(17) . . ?
C24 Ho C20 88.60(16) . . ?
C22 Ho C20 57.9(2) . . ?
C19 Ho C20 31.8(2) . . ?
C21 Ho C20 30.6(2) . . ?
N2 Ho C1 28.63(8) . . ?
N1 Ho C1 28.52(9) . . ?
O Ho C1 83.22(8) . . ?
C26 Ho C1 116.58(15) . . ?
C23 Ho C1 118.65(15) . . ?
C25 Ho C1 105.06(12) . . ?
C24 Ho C1 106.58(13) . . ?
C22 Ho C1 138.44(17) . . ?
C19 Ho C1 138.60(17) . . ?
C21 Ho C1 160.33(16) . . ?
C20 Ho C1 162.13(15) . . ?
N1 C1 N2 115.5(3) . . ?
N1 C1 C2 121.4(3) . . ?
N2 C1 C2 123.0(3) . . ?
N1 C1 Ho 57.90(16) . . ?
N2 C1 Ho 57.64(16) . . ?
C2 C1 Ho 177.36(19) . . ?
C3 C2 C1 174.3(3) . . ?
C2 C3 C4 178.4(3) . . ?
C3 C4 C5 120.2(3) . . ?
C3 C4 C6 119.4(3) . . ?
C5 C4 C6 58.6(2) . . ?
C6 C5 C4 60.8(2) . . ?
C5 C6 C4 60.6(2) . . ?
N1 C7 C12 110.3(3) . . ?
N1 C7 C8 110.0(3) . . ?
C12 C7 C8 110.7(3) . . ?
C7 C8 C9 111.8(3) . . ?
C10 C9 C8 111.5(3) . . ?
C9 C10 C11 111.4(4) . . ?
C10 C11 C12 110.8(4) . . ?
C7 C12 C11 112.7(3) . . ?
N2 C13 C18 109.6(3) . . ?
N2 C13 C14 110.4(3) . . ?
C18 C13 C14 110.3(3) . . ?
C13 C14 C15 111.5(4) . . ?
C16 C15 C14 111.2(4) . . ?
C15 C16 C17 110.4(4) . . ?
C16 C17 C18 111.0(4) . . ?
C13 C18 C17 112.8(4) . . ?
C20 C19 C26 131.0(5) . . ?
C20 C19 Ho 75.1(3) . . ?
C26 C19 Ho 72.1(3) . . ?
C21 C20 C19 135.7(5) . . ?
C21 C20 Ho 74.3(3) . . ?
C19 C20 Ho 73.0(3) . . ?
C22 C21 C20 136.6(5) . . ?
C22 C21 Ho 74.3(3) . . ?
C20 C21 Ho 75.1(3) . . ?
C21 C22 C23 136.8(5) . . ?
C21 C22 Ho 75.9(3) . . ?
C23 C22 Ho 74.5(3) . . ?
C22 C23 C24 136.1(6) . . ?
C22 C23 Ho 75.5(3) . . ?
C24 C23 Ho 74.8(3) . . ?
C23 C24 C25 136.7(5) . . ?
C23 C24 Ho 74.7(3) . . ?
C25 C24 Ho 74.3(3) . . ?
C24 C25 C26 134.0(5) . . ?
C24 C25 Ho 74.4(3) . . ?
C26 C25 Ho 73.6(3) . . ?
C25 C26 C19 132.8(5) . . ?
C25 C26 Ho 74.0(3) . . ?
C19 C26 Ho 73.5(3) . . ?
O C27 C28 107.7(4) . . ?
C27 C28 C29 104.2(4) . . ?
C30 C29 C28 105.9(4) . . ?
O C30 C29 106.4(3) . . ?
C1 N1 C7 123.0(3) . . ?
C1 N1 Ho 93.58(18) . . ?
C7 N1 Ho 142.6(2) . . ?
C1 N2 C13 121.6(3) . . ?
C1 N2 Ho 93.72(19) . . ?
C13 N2 Ho 144.16(19) . . ?
C30 O C27 109.1(3) . . ?
C30 O Ho 127.2(2) . . ?
C27 O Ho 123.5(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Ho C1 N1 -178.6(3) . . . . ?
O Ho C1 N1 91.2(2) . . . . ?
C26 Ho C1 N1 -46.8(3) . . . . ?
C23 Ho C1 N1 -142.3(3) . . . . ?
C25 Ho C1 N1 -79.3(3) . . . . ?
C24 Ho C1 N1 -111.9(3) . . . . ?
C22 Ho C1 N1 -171.7(3) . . . . ?
C19 Ho C1 N1 -12.7(4) . . . . ?
C21 Ho C1 N1 145.4(5) . . . . ?
C20 Ho C1 N1 35.3(6) . . . . ?
N1 Ho C1 N2 178.6(3) . . . . ?
O Ho C1 N2 -90.16(18) . . . . ?
C26 Ho C1 N2 131.8(3) . . . . ?
C23 Ho C1 N2 36.3(2) . . . . ?
C25 Ho C1 N2 99.3(2) . . . . ?
C24 Ho C1 N2 66.7(2) . . . . ?
C22 Ho C1 N2 6.9(3) . . . . ?
C19 Ho C1 N2 165.9(3) . . . . ?
C21 Ho C1 N2 -36.0(6) . . . . ?
C20 Ho C1 N2 -146.1(5) . . . . ?
N2 Ho C1 C2 106(5) . . . . ?
N1 Ho C1 C2 -75(5) . . . . ?
O Ho C1 C2 16(5) . . . . ?
C26 Ho C1 C2 -122(5) . . . . ?
C23 Ho C1 C2 142(5) . . . . ?
C25 Ho C1 C2 -155(5) . . . . ?
C24 Ho C1 C2 173(5) . . . . ?
C22 Ho C1 C2 113(5) . . . . ?
C19 Ho C1 C2 -88(5) . . . . ?
C21 Ho C1 C2 70(5) . . . . ?
C20 Ho C1 C2 -40(5) . . . . ?
N1 C1 C2 C3 -35(3) . . . . ?
N2 C1 C2 C3 144(3) . . . . ?
Ho C1 C2 C3 39(7) . . . . ?
C1 C2 C3 C4 19(15) . . . . ?
C2 C3 C4 C5 92(12) . . . . ?
C2 C3 C4 C6 23(13) . . . . ?
C3 C4 C5 C6 -108.1(4) . . . . ?
C3 C4 C6 C5 109.5(3) . . . . ?
N1 C7 C8 C9 -175.7(3) . . . . ?
C12 C7 C8 C9 -53.6(5) . . . . ?
C7 C8 C9 C10 55.1(5) . . . . ?
C8 C9 C10 C11 -55.7(6) . . . . ?
C9 C10 C11 C12 55.3(6) . . . . ?
N1 C7 C12 C11 176.0(4) . . . . ?
C8 C7 C12 C11 54.0(5) . . . . ?
C10 C11 C12 C7 -54.9(6) . . . . ?
N2 C13 C14 C15 175.1(3) . . . . ?
C18 C13 C14 C15 53.8(5) . . . . ?
C13 C14 C15 C16 -57.1(5) . . . . ?
C14 C15 C16 C17 57.9(6) . . . . ?
C15 C16 C17 C18 -56.4(6) . . . . ?
N2 C13 C18 C17 -174.9(3) . . . . ?
C14 C13 C18 C17 -53.2(5) . . . . ?
C16 C17 C18 C13 54.9(5) . . . . ?
N2 Ho C19 C20 -178.9(4) . . . . ?
N1 Ho C19 C20 147.9(3) . . . . ?
O Ho C19 C20 58.3(3) . . . . ?
C26 Ho C19 C20 -143.0(5) . . . . ?
C23 Ho C19 C20 -68.2(4) . . . . ?
C25 Ho C19 C20 -123.1(4) . . . . ?
C24 Ho C19 C20 -97.9(4) . . . . ?
C22 Ho C19 C20 -39.6(3) . . . . ?
C21 Ho C19 C20 -17.3(3) . . . . ?
C1 Ho C19 C20 154.4(3) . . . . ?
N2 Ho C19 C26 -35.9(7) . . . . ?
N1 Ho C19 C26 -69.1(3) . . . . ?
O Ho C19 C26 -158.6(3) . . . . ?
C23 Ho C19 C26 74.8(3) . . . . ?
C25 Ho C19 C26 19.9(3) . . . . ?
C24 Ho C19 C26 45.1(3) . . . . ?
C22 Ho C19 C26 103.4(3) . . . . ?
C21 Ho C19 C26 125.7(4) . . . . ?
C20 Ho C19 C26 143.0(5) . . . . ?
C1 Ho C19 C26 -62.6(4) . . . . ?
C26 C19 C20 C21 -5.1(10) . . . . ?
Ho C19 C20 C21 44.2(6) . . . . ?
C26 C19 C20 Ho -49.4(5) . . . . ?
N2 Ho C20 C21 29.4(7) . . . . ?
N1 Ho C20 C21 164.9(3) . . . . ?
O Ho C20 C21 86.1(3) . . . . ?
C26 Ho C20 C21 -127.0(4) . . . . ?
C23 Ho C20 C21 -40.5(3) . . . . ?
C25 Ho C20 C21 -100.6(4) . . . . ?
C24 Ho C20 C21 -69.7(4) . . . . ?
C22 Ho C20 C21 -17.6(3) . . . . ?
C19 Ho C20 C21 -149.6(5) . . . . ?
C1 Ho C20 C21 141.6(5) . . . . ?
N2 Ho C20 C19 179.0(4) . . . . ?
N1 Ho C20 C19 -45.5(4) . . . . ?
O Ho C20 C19 -124.3(3) . . . . ?
C26 Ho C20 C19 22.5(3) . . . . ?
C23 Ho C20 C19 109.1(4) . . . . ?
C25 Ho C20 C19 49.0(4) . . . . ?
C24 Ho C20 C19 79.9(4) . . . . ?
C22 Ho C20 C19 132.0(4) . . . . ?
C21 Ho C20 C19 149.6(5) . . . . ?
C1 Ho C20 C19 -68.8(6) . . . . ?
C19 C20 C21 C22 2.5(11) . . . . ?
Ho C20 C21 C22 46.3(6) . . . . ?
C19 C20 C21 Ho -43.9(6) . . . . ?
N2 Ho C21 C22 42.4(4) . . . . ?
N1 Ho C21 C22 170.9(4) . . . . ?
O Ho C21 C22 119.4(3) . . . . ?
C26 Ho C21 C22 -103.5(4) . . . . ?
C23 Ho C21 C22 -18.3(3) . . . . ?
C25 Ho C21 C22 -71.7(4) . . . . ?
C24 Ho C21 C22 -42.0(4) . . . . ?
C19 Ho C21 C22 -131.0(4) . . . . ?
C20 Ho C21 C22 -148.9(5) . . . . ?
C1 Ho C21 C22 65.5(6) . . . . ?
N2 Ho C21 C20 -168.6(3) . . . . ?
N1 Ho C21 C20 -40.2(7) . . . . ?
O Ho C21 C20 -91.6(3) . . . . ?
C26 Ho C21 C20 45.5(4) . . . . ?
C23 Ho C21 C20 130.7(4) . . . . ?
C25 Ho C21 C20 77.3(4) . . . . ?
C24 Ho C21 C20 107.0(3) . . . . ?
C22 Ho C21 C20 148.9(5) . . . . ?
C19 Ho C21 C20 18.0(3) . . . . ?
C1 Ho C21 C20 -145.5(4) . . . . ?
C20 C21 C22 C23 1.5(11) . . . . ?
Ho C21 C22 C23 48.0(6) . . . . ?
C20 C21 C22 Ho -46.6(6) . . . . ?
N2 Ho C22 C21 -149.0(3) . . . . ?
N1 Ho C22 C21 -169.3(5) . . . . ?
O Ho C22 C21 -61.7(3) . . . . ?
C26 Ho C22 C21 74.7(4) . . . . ?
C23 Ho C22 C21 148.1(5) . . . . ?
C25 Ho C22 C21 105.7(4) . . . . ?
C24 Ho C22 C21 129.2(4) . . . . ?
C19 Ho C22 C21 41.4(4) . . . . ?
C20 Ho C22 C21 18.1(3) . . . . ?
C1 Ho C22 C21 -152.5(3) . . . . ?
N2 Ho C22 C23 62.9(4) . . . . ?
N1 Ho C22 C23 42.6(8) . . . . ?
O Ho C22 C23 150.2(3) . . . . ?
C26 Ho C22 C23 -73.4(4) . . . . ?
C25 Ho C22 C23 -42.5(4) . . . . ?
C24 Ho C22 C23 -18.9(3) . . . . ?
C19 Ho C22 C23 -106.7(4) . . . . ?
C21 Ho C22 C23 -148.1(5) . . . . ?
C20 Ho C22 C23 -130.1(4) . . . . ?
C1 Ho C22 C23 59.4(4) . . . . ?
C21 C22 C23 C24 0.3(11) . . . . ?
Ho C22 C23 C24 48.8(6) . . . . ?
C21 C22 C23 Ho -48.5(6) . . . . ?
N2 Ho C23 C22 -122.9(3) . . . . ?
N1 Ho C23 C22 -165.7(3) . . . . ?
O Ho C23 C22 -36.8(4) . . . . ?
C26 Ho C23 C22 104.6(4) . . . . ?
C25 Ho C23 C22 129.4(4) . . . . ?
C24 Ho C23 C22 147.3(5) . . . . ?
C19 Ho C23 C22 71.2(4) . . . . ?
C21 Ho C23 C22 18.2(3) . . . . ?
C20 Ho C23 C22 41.3(4) . . . . ?
C1 Ho C23 C22 -139.4(3) . . . . ?
N2 Ho C23 C24 89.8(3) . . . . ?
N1 Ho C23 C24 47.0(4) . . . . ?
O Ho C23 C24 175.9(3) . . . . ?
C26 Ho C23 C24 -42.7(4) . . . . ?
C25 Ho C23 C24 -17.9(3) . . . . ?
C22 Ho C23 C24 -147.3(5) . . . . ?
C19 Ho C23 C24 -76.1(4) . . . . ?
C21 Ho C23 C24 -129.1(4) . . . . ?
C20 Ho C23 C24 -106.0(4) . . . . ?
C1 Ho C23 C24 73.3(3) . . . . ?
C22 C23 C24 C25 -3.4(10) . . . . ?
Ho C23 C24 C25 45.6(6) . . . . ?
C22 C23 C24 Ho -49.0(6) . . . . ?
N2 Ho C24 C23 -92.5(3) . . . . ?
N1 Ho C24 C23 -148.0(3) . . . . ?
O Ho C24 C23 -8.0(5) . . . . ?
C26 Ho C24 C23 129.7(4) . . . . ?
C25 Ho C24 C23 149.4(5) . . . . ?
C22 Ho C24 C23 18.6(3) . . . . ?
C19 Ho C24 C23 102.4(4) . . . . ?
C21 Ho C24 C23 41.7(3) . . . . ?
C20 Ho C24 C23 70.9(4) . . . . ?
C1 Ho C24 C23 -118.7(3) . . . . ?
N2 Ho C24 C25 118.0(3) . . . . ?
N1 Ho C24 C25 62.6(3) . . . . ?
O Ho C24 C25 -157.4(3) . . . . ?
C26 Ho C24 C25 -19.7(3) . . . . ?
C23 Ho C24 C25 -149.4(5) . . . . ?
C22 Ho C24 C25 -130.8(4) . . . . ?
C19 Ho C24 C25 -47.1(3) . . . . ?
C21 Ho C24 C25 -107.7(3) . . . . ?
C20 Ho C24 C25 -78.6(3) . . . . ?
C1 Ho C24 C25 91.9(3) . . . . ?
C23 C24 C25 C26 1.6(10) . . . . ?
Ho C24 C25 C26 47.3(5) . . . . ?
C23 C24 C25 Ho -45.7(6) . . . . ?
N2 Ho C25 C24 -67.5(3) . . . . ?
N1 Ho C25 C24 -125.5(3) . . . . ?
O Ho C25 C24 132.0(7) . . . . ?
C26 Ho C25 C24 146.6(4) . . . . ?
C23 Ho C25 C24 17.4(3) . . . . ?
C22 Ho C25 C24 40.5(3) . . . . ?
C19 Ho C25 C24 125.5(3) . . . . ?
C21 Ho C25 C24 69.1(3) . . . . ?
C20 Ho C25 C24 99.1(3) . . . . ?
C1 Ho C25 C24 -97.2(3) . . . . ?
N2 Ho C25 C26 145.9(3) . . . . ?
N1 Ho C25 C26 87.9(3) . . . . ?
O Ho C25 C26 -14.6(8) . . . . ?
C23 Ho C25 C26 -129.1(3) . . . . ?
C24 Ho C25 C26 -146.6(4) . . . . ?
C22 Ho C25 C26 -106.1(3) . . . . ?
C19 Ho C25 C26 -21.1(3) . . . . ?
C21 Ho C25 C26 -77.5(3) . . . . ?
C20 Ho C25 C26 -47.5(3) . . . . ?
C1 Ho C25 C26 116.2(3) . . . . ?
C24 C25 C26 C19 0.5(9) . . . . ?
Ho C25 C26 C19 48.1(5) . . . . ?
C24 C25 C26 Ho -47.5(5) . . . . ?
C20 C19 C26 C25 2.2(9) . . . . ?
Ho C19 C26 C25 -48.2(5) . . . . ?
C20 C19 C26 Ho 50.4(5) . . . . ?
N2 Ho C26 C25 -46.6(3) . . . . ?
N1 Ho C26 C25 -96.2(3) . . . . ?
O Ho C26 C25 175.6(2) . . . . ?
C23 Ho C26 C25 42.4(3) . . . . ?
C24 Ho C26 C25 19.2(3) . . . . ?
C22 Ho C26 C25 71.3(3) . . . . ?
C19 Ho C26 C25 145.3(4) . . . . ?
C21 Ho C26 C25 100.2(3) . . . . ?
C20 Ho C26 C25 124.3(3) . . . . ?
C1 Ho C26 C25 -75.7(3) . . . . ?
N2 Ho C26 C19 168.1(2) . . . . ?
N1 Ho C26 C19 118.5(3) . . . . ?
O Ho C26 C19 30.2(4) . . . . ?
C23 Ho C26 C19 -102.9(3) . . . . ?
C25 Ho C26 C19 -145.3(4) . . . . ?
C24 Ho C26 C19 -126.2(3) . . . . ?
C22 Ho C26 C19 -74.0(3) . . . . ?
C21 Ho C26 C19 -45.2(3) . . . . ?
C20 Ho C26 C19 -21.0(3) . . . . ?
C1 Ho C26 C19 139.0(3) . . . . ?
O C27 C28 C29 -21.0(6) . . . . ?
C27 C28 C29 C30 26.2(6) . . . . ?
C28 C29 C30 O -21.8(6) . . . . ?
N2 C1 N1 C7 -173.2(3) . . . . ?
C2 C1 N1 C7 5.1(5) . . . . ?
Ho C1 N1 C7 -171.9(4) . . . . ?
N2 C1 N1 Ho -1.3(3) . . . . ?
C2 C1 N1 Ho 177.0(2) . . . . ?
C12 C7 N1 C1 109.5(4) . . . . ?
C8 C7 N1 C1 -128.1(4) . . . . ?
C12 C7 N1 Ho -57.2(5) . . . . ?
C8 C7 N1 Ho 65.2(5) . . . . ?
N2 Ho N1 C1 0.79(17) . . . . ?
O Ho N1 C1 -85.7(2) . . . . ?
C26 Ho N1 C1 139.0(3) . . . . ?
C23 Ho N1 C1 54.6(3) . . . . ?
C25 Ho N1 C1 106.5(3) . . . . ?
C24 Ho N1 C1 78.7(3) . . . . ?
C22 Ho N1 C1 23.6(7) . . . . ?
C19 Ho N1 C1 171.0(3) . . . . ?
C21 Ho N1 C1 -137.2(5) . . . . ?
C20 Ho N1 C1 -165.3(2) . . . . ?
N2 Ho N1 C7 169.6(5) . . . . ?
O Ho N1 C7 83.1(4) . . . . ?
C26 Ho N1 C7 -52.2(5) . . . . ?
C23 Ho N1 C7 -136.6(4) . . . . ?
C25 Ho N1 C7 -84.7(4) . . . . ?
C24 Ho N1 C7 -112.5(4) . . . . ?
C22 Ho N1 C7 -167.6(6) . . . . ?
C19 Ho N1 C7 -20.1(5) . . . . ?
C21 Ho N1 C7 31.6(8) . . . . ?
C20 Ho N1 C7 3.5(5) . . . . ?
C1 Ho N1 C7 168.8(6) . . . . ?
N1 C1 N2 C13 -172.6(3) . . . . ?
C2 C1 N2 C13 9.1(4) . . . . ?
Ho C1 N2 C13 -173.9(3) . . . . ?
N1 C1 N2 Ho 1.3(3) . . . . ?
C2 C1 N2 Ho -177.0(2) . . . . ?
C18 C13 N2 C1 -147.6(3) . . . . ?
C14 C13 N2 C1 90.7(4) . . . . ?
C18 C13 N2 Ho 42.8(5) . . . . ?
C14 C13 N2 Ho -78.9(4) . . . . ?
N1 Ho N2 C1 -0.79(17) . . . . ?
O Ho N2 C1 86.60(18) . . . . ?
C26 Ho N2 C1 -65.2(3) . . . . ?
C23 Ho N2 C1 -148.6(2) . . . . ?
C25 Ho N2 C1 -89.3(2) . . . . ?
C24 Ho N2 C1 -118.0(2) . . . . ?
C22 Ho N2 C1 -175.1(2) . . . . ?
C19 Ho N2 C1 -38.4(6) . . . . ?
C21 Ho N2 C1 164.0(2) . . . . ?
C20 Ho N2 C1 143.6(4) . . . . ?
N1 Ho N2 C13 170.4(4) . . . . ?
O Ho N2 C13 -102.2(3) . . . . ?
C26 Ho N2 C13 106.0(4) . . . . ?
C23 Ho N2 C13 22.5(4) . . . . ?
C25 Ho N2 C13 81.9(4) . . . . ?
C24 Ho N2 C13 53.1(4) . . . . ?
C22 Ho N2 C13 -4.0(4) . . . . ?
C19 Ho N2 C13 132.7(6) . . . . ?
C21 Ho N2 C13 -24.8(4) . . . . ?
C20 Ho N2 C13 -45.2(6) . . . . ?
C1 Ho N2 C13 171.1(4) . . . . ?
C29 C30 O C27 8.8(6) . . . . ?
C29 C30 O Ho -165.7(3) . . . . ?
C28 C27 O C30 7.9(6) . . . . ?
C28 C27 O Ho -177.3(3) . . . . ?
N2 Ho O C30 1.8(3) . . . . ?
N1 Ho O C30 59.2(3) . . . . ?
C26 Ho O C30 152.1(3) . . . . ?
C23 Ho O C30 -89.8(4) . . . . ?
C25 Ho O C30 163.1(6) . . . . ?
C24 Ho O C30 -84.9(4) . . . . ?
C22 Ho O C30 -107.5(4) . . . . ?
C19 Ho O C30 169.1(3) . . . . ?
C21 Ho O C30 -133.5(4) . . . . ?
C20 Ho O C30 -164.2(4) . . . . ?
C1 Ho O C30 30.6(3) . . . . ?
N2 Ho O C27 -172.0(4) . . . . ?
N1 Ho O C27 -114.6(4) . . . . ?
C26 Ho O C27 -21.7(5) . . . . ?
C23 Ho O C27 96.4(4) . . . . ?
C25 Ho O C27 -10.6(8) . . . . ?
C24 Ho O C27 101.3(5) . . . . ?
C22 Ho O C27 78.7(4) . . . . ?
C19 Ho O C27 -4.7(4) . . . . ?
C21 Ho O C27 52.7(4) . . . . ?
C20 Ho O C27 22.0(4) . . . . ?
C1 Ho O C27 -143.2(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        29.24
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         1.899
_refine_diff_density_min         -2.651
_refine_diff_density_rms         0.133

####################################################################### 
# 
# 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_ip400
_database_code_depnum_ccdc_archive 'CCDC 1057406'
_audit_update_record             
;
2015-04-01 deposited with the CCDC.
2016-06-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H72 Li N4 O Pr'
_chemical_formula_weight         868.95

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'
Pr Pr -0.2180 2.8214 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 '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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Pbca

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

_cell_length_a                   21.425(4)
_cell_length_b                   20.113(4)
_cell_length_c                   21.502(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     9266(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    61125
_cell_measurement_theta_min      1.90
_cell_measurement_theta_max      29.65

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3664
_exptl_absorpt_coefficient_mu    1.089
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_correction_T_min  0.4819
_exptl_absorpt_correction_T_max  0.4912
_exptl_crystal_size_rad          0.4600
_exptl_absorpt_process_details   
;
Interpolation using  Int.Tab. Vol. C (1992) p. 523,Tab. 6.3.3.3
for values of muR in the range 0-2.5, and Int.Tab. Vol.II (1959)
p.302; Table 5.3.6 B for muR in the range 2.6-10.0.
The interpolation procedure of C.W.Dwiggins Jr (Acta Cryst.(1975)
A31,146-148) is used with some modification.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            41749
_diffrn_reflns_av_R_equivalents  0.0663
_diffrn_reflns_av_sigmaI/netI    0.0440
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.15
_diffrn_reflns_theta_max         26.37
_reflns_number_total             9346
_reflns_number_gt                7413
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_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)+(0.0472P)²+0.8960P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9346
_refine_ls_number_parameters     496
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0355
_refine_ls_wR_factor_ref         0.0839
_refine_ls_wR_factor_gt          0.0790
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.002
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pr Pr 0.216432(6) 0.822942(7) 0.314319(6) 0.01844(6) Uani 1 1 d . . .
Li Li 0.2890(2) 0.9511(2) 0.3451(2) 0.0269(10) Uani 1 1 d . . .
O O 0.33998(9) 1.02790(11) 0.34183(11) 0.0351(5) Uani 1 1 d . . .
N1 N 0.29745(10) 0.86665(12) 0.40605(10) 0.0223(5) Uani 1 1 d . . .
N2 N 0.32972(9) 0.86387(12) 0.30626(10) 0.0191(5) Uani 1 1 d . . .
N3 N 0.18650(9) 0.90836(11) 0.22891(10) 0.0190(5) Uani 1 1 d . . .
N4 N 0.19213(10) 0.94861(12) 0.32851(11) 0.0220(5) Uani 1 1 d . . .
C1 C 0.34047(11) 0.84732(14) 0.36556(13) 0.0211(6) Uani 1 1 d . . .
C2 C 0.39444(12) 0.80829(15) 0.38408(13) 0.0243(6) Uani 1 1 d . . .
C3 C 0.43628(13) 0.77515(16) 0.40291(14) 0.0299(7) Uani 1 1 d . . .
C4 C 0.48575(16) 0.73460(19) 0.42744(19) 0.0485(10) Uani 1 1 d . . .
H4 H 0.5212 0.7248 0.3986 0.058 Uiso 1 1 calc R . .
C5 C 0.50154(19) 0.7397(3) 0.4954(2) 0.0687(14) Uani 1 1 d . . .
H5A H 0.5459 0.7346 0.5075 0.082 Uiso 1 1 calc R . .
H5B H 0.4776 0.7718 0.5208 0.082 Uiso 1 1 calc R . .
C6 C 0.4690(3) 0.6811(3) 0.4729(3) 0.107(3) Uani 1 1 d . . .
H6A H 0.4244 0.6761 0.4842 0.129 Uiso 1 1 calc R . .
H6B H 0.4927 0.6389 0.4709 0.129 Uiso 1 1 calc R . .
C7 C 0.30723(13) 0.84912(16) 0.47190(13) 0.0260(6) Uani 1 1 d . . .
H7 H 0.3243 0.8029 0.4740 0.031 Uiso 1 1 calc R . .
C8 C 0.35391(15) 0.89631(17) 0.50302(13) 0.0344(7) Uani 1 1 d . . .
H8A H 0.3944 0.8936 0.4810 0.041 Uiso 1 1 calc R . .
H8B H 0.3385 0.9425 0.4994 0.041 Uiso 1 1 calc R . .
C9 C 0.36366(16) 0.8796(2) 0.57147(15) 0.0480(9) Uani 1 1 d . . .
H9A H 0.3833 0.8352 0.5750 0.058 Uiso 1 1 calc R . .
H9B H 0.3924 0.9125 0.5902 0.058 Uiso 1 1 calc R . .
C10 C 0.30225(18) 0.8797(2) 0.60696(15) 0.0514(10) Uani 1 1 d . . .
H10A H 0.2851 0.9254 0.6080 0.062 Uiso 1 1 calc R . .
H10B H 0.3096 0.8652 0.6503 0.062 Uiso 1 1 calc R . .
C11 C 0.25548(17) 0.8332(2) 0.57594(15) 0.0440(9) Uani 1 1 d . . .
H11A H 0.2707 0.7868 0.5790 0.053 Uiso 1 1 calc R . .
H11B H 0.2150 0.8359 0.5980 0.053 Uiso 1 1 calc R . .
C12 C 0.24603(14) 0.85118(18) 0.50770(14) 0.0332(7) Uani 1 1 d . . .
H12A H 0.2162 0.8196 0.4887 0.040 Uiso 1 1 calc R . .
H12B H 0.2279 0.8963 0.5048 0.040 Uiso 1 1 calc R . .
C13 C 0.37752(12) 0.84727(14) 0.25936(13) 0.0215(6) Uani 1 1 d . . .
H13 H 0.3939 0.8017 0.2683 0.026 Uiso 1 1 calc R . .
C14 C 0.34755(13) 0.84710(17) 0.19556(13) 0.0284(6) Uani 1 1 d . . .
H14A H 0.3284 0.8911 0.1878 0.034 Uiso 1 1 calc R . .
H14B H 0.3139 0.8134 0.1947 0.034 Uiso 1 1 calc R . .
C15 C 0.39414(14) 0.8319(2) 0.14402(15) 0.0381(8) Uani 1 1 d . . .
H15A H 0.4098 0.7859 0.1489 0.046 Uiso 1 1 calc R . .
H15B H 0.3730 0.8351 0.1032 0.046 Uiso 1 1 calc R . .
C16 C 0.44841(13) 0.8799(2) 0.14574(14) 0.0407(9) Uani 1 1 d . . .
H16A H 0.4334 0.9252 0.1356 0.049 Uiso 1 1 calc R . .
H16B H 0.4795 0.8669 0.1139 0.049 Uiso 1 1 calc R . .
C17 C 0.47918(13) 0.8803(2) 0.20961(15) 0.0403(9) Uani 1 1 d . . .
H17A H 0.5129 0.9139 0.2102 0.048 Uiso 1 1 calc R . .
H17B H 0.4981 0.8363 0.2178 0.048 Uiso 1 1 calc R . .
C18 C 0.43190(11) 0.89619(17) 0.26054(13) 0.0286(7) Uani 1 1 d . . .
H18A H 0.4527 0.8942 0.3016 0.034 Uiso 1 1 calc R . .
H18B H 0.4159 0.9419 0.2546 0.034 Uiso 1 1 calc R . .
C21 C 0.16923(11) 0.95291(13) 0.26954(13) 0.0204(6) Uani 1 1 d . . .
C22 C 0.12638(12) 1.00695(15) 0.25371(14) 0.0258(6) Uani 1 1 d . . .
C23 C 0.09120(14) 1.05113(16) 0.24343(15) 0.0338(7) Uani 1 1 d . . .
C24 C 0.04847(18) 1.1060(2) 0.2359(2) 0.0548(11) Uani 1 1 d . . .
H24 H 0.0371 1.1181 0.1922 0.066 Uiso 1 1 calc R . .
C25 C 0.00028(18) 1.1172(2) 0.2836(3) 0.0713(14) Uani 1 1 d . . .
H25A H -0.0408 1.1340 0.2695 0.086 Uiso 1 1 calc R . .
H25B H -0.0016 1.0854 0.3187 0.086 Uiso 1 1 calc R . .
C26 C 0.05171(18) 1.16220(19) 0.2818(3) 0.0618(13) Uani 1 1 d . . .
H26A H 0.0831 1.1592 0.3154 0.074 Uiso 1 1 calc R . .
H26B H 0.0439 1.2078 0.2662 0.074 Uiso 1 1 calc R . .
C27 C 0.16345(11) 0.91587(14) 0.16468(13) 0.0210(5) Uani 1 1 d . . .
H27 H 0.1634 0.9643 0.1542 0.025 Uiso 1 1 calc R . .
C28 C 0.09664(11) 0.88976(15) 0.15767(13) 0.0244(6) Uani 1 1 d . . .
H28A H 0.0951 0.8426 0.1708 0.029 Uiso 1 1 calc R . .
H28B H 0.0685 0.9154 0.1852 0.029 Uiso 1 1 calc R . .
C29 C 0.07384(12) 0.89539(17) 0.09080(14) 0.0310(7) Uani 1 1 d . . .
H29A H 0.0312 0.8767 0.0875 0.037 Uiso 1 1 calc R . .
H29B H 0.0720 0.9428 0.0786 0.037 Uiso 1 1 calc R . .
C30 C 0.11747(13) 0.85807(18) 0.04720(14) 0.0337(7) Uani 1 1 d . . .
H30A H 0.1171 0.8102 0.0577 0.040 Uiso 1 1 calc R . .
H30B H 0.1028 0.8630 0.0038 0.040 Uiso 1 1 calc R . .
C31 C 0.18343(13) 0.88494(18) 0.05277(14) 0.0344(7) Uani 1 1 d . . .
H31A H 0.1843 0.9319 0.0389 0.041 Uiso 1 1 calc R . .
H31B H 0.2115 0.8592 0.0253 0.041 Uiso 1 1 calc R . .
C32 C 0.20671(12) 0.88057(16) 0.11935(13) 0.0265(6) Uani 1 1 d . . .
H32A H 0.2488 0.9007 0.1219 0.032 Uiso 1 1 calc R . .
H32B H 0.2103 0.8332 0.1314 0.032 Uiso 1 1 calc R . .
C33 C 0.15866(11) 0.98585(15) 0.37701(13) 0.0237(6) Uani 1 1 d . . .
H33 H 0.1337 1.0213 0.3559 0.028 Uiso 1 1 calc R . .
C34 C 0.20286(12) 1.01997(17) 0.42203(15) 0.0325(7) Uani 1 1 d . . .
H34A H 0.2301 1.0512 0.3990 0.039 Uiso 1 1 calc R . .
H34B H 0.2297 0.9863 0.4423 0.039 Uiso 1 1 calc R . .
C35 C 0.16613(15) 1.0579(2) 0.47138(18) 0.0474(10) Uani 1 1 d . . .
H35A H 0.1956 1.0774 0.5018 0.057 Uiso 1 1 calc R . .
H35B H 0.1432 1.0949 0.4513 0.057 Uiso 1 1 calc R . .
C36 C 0.12007(16) 1.0136(2) 0.50540(17) 0.0505(10) Uani 1 1 d . . .
H36A H 0.1432 0.9800 0.5299 0.061 Uiso 1 1 calc R . .
H36B H 0.0952 1.0408 0.5347 0.061 Uiso 1 1 calc R . .
C37 C 0.07685(15) 0.9790(2) 0.46025(17) 0.0467(9) Uani 1 1 d . . .
H37A H 0.0499 1.0124 0.4398 0.056 Uiso 1 1 calc R . .
H37B H 0.0496 0.9478 0.4833 0.056 Uiso 1 1 calc R . .
C38 C 0.11323(13) 0.94090(17) 0.41096(15) 0.0345(7) Uani 1 1 d . . .
H38A H 0.1365 0.9041 0.4310 0.041 Uiso 1 1 calc R . .
H38B H 0.0837 0.9213 0.3807 0.041 Uiso 1 1 calc R . .
C41 C 0.11419(13) 0.74997(15) 0.27925(16) 0.0296(7) Uani 1 1 d . . .
H41 H 0.0754 0.7608 0.2603 0.035 Uiso 1 1 calc R . .
C42 C 0.16051(13) 0.73498(14) 0.23525(14) 0.0271(6) Uani 1 1 d . . .
H42 H 0.1455 0.7377 0.1938 0.033 Uiso 1 1 calc R . .
C43 C 0.22378(13) 0.71691(14) 0.23791(15) 0.0292(6) Uani 1 1 d . . .
H43 H 0.2422 0.7132 0.1978 0.035 Uiso 1 1 calc R . .
C44 C 0.26619(13) 0.70302(15) 0.28595(16) 0.0305(7) Uani 1 1 d . . .
H44 H 0.3064 0.6912 0.2709 0.037 Uiso 1 1 calc R . .
C45 C 0.26278(14) 0.70259(16) 0.35121(16) 0.0323(7) Uani 1 1 d . . .
H45 H 0.3009 0.6893 0.3701 0.039 Uiso 1 1 calc R . .
C46 C 0.21619(15) 0.71724(16) 0.39495(15) 0.0344(7) Uani 1 1 d . . .
H46 H 0.2298 0.7100 0.4364 0.041 Uiso 1 1 calc R . .
C47 C 0.15433(15) 0.73997(16) 0.39235(15) 0.0348(7) Uani 1 1 d . . .
H47 H 0.1375 0.7487 0.4324 0.042 Uiso 1 1 calc R . .
C48 C 0.11125(13) 0.75286(16) 0.34424(16) 0.0335(7) Uani 1 1 d . . .
H48 H 0.0715 0.7665 0.3592 0.040 Uiso 1 1 calc R . .
C51 C 0.43959(17) 1.0276(3) 0.3968(2) 0.0704(14) Uani 1 1 d . . .
H51A H 0.4608 1.0456 0.4335 0.106 Uiso 1 1 calc R . .
H51B H 0.4618 1.0417 0.3591 0.106 Uiso 1 1 calc R . .
H51C H 0.4392 0.9789 0.3990 0.106 Uiso 1 1 calc R . .
C52 C 0.37440(15) 1.05273(18) 0.39474(17) 0.0405(8) Uani 1 1 d . . .
H52A H 0.3526 1.0394 0.4334 0.049 Uiso 1 1 calc R . .
H52B H 0.3751 1.1019 0.3932 0.049 Uiso 1 1 calc R . .
C53 C 0.34960(17) 1.0659(2) 0.28814(19) 0.0484(9) Uani 1 1 d . . .
H53A H 0.3930 1.0597 0.2733 0.058 Uiso 1 1 calc R . .
H53B H 0.3436 1.1136 0.2979 0.058 Uiso 1 1 calc R . .
C54 C 0.30525(17) 1.04571(18) 0.23843(17) 0.0425(8) Uani 1 1 d . . .
H54A H 0.3125 1.0728 0.2013 0.064 Uiso 1 1 calc R . .
H54B H 0.2623 1.0523 0.2530 0.064 Uiso 1 1 calc R . .
H54C H 0.3117 0.9987 0.2283 0.064 Uiso 1 1 calc R . .


_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
Pr N2 2.569(2) . ?
Pr N3 2.595(2) . ?
Pr N4 2.599(2) . ?
Pr C43 2.697(3) . ?
Pr C44 2.707(3) . ?
Pr C47 2.715(3) . ?
Pr C42 2.731(3) . ?
Pr C45 2.734(3) . ?
Pr C48 2.735(3) . ?
Pr C41 2.742(3) . ?
Pr C46 2.743(3) . ?
Pr N1 2.771(2) . ?
Li O 1.894(5) . ?
Li N4 2.106(5) . ?
Li N2 2.130(6) . ?
Li N1 2.152(6) . ?
Li C1 2.401(6) . ?
O C53 1.400(4) . ?
O C52 1.445(4) . ?
N1 C1 1.326(3) . ?
N1 C7 1.474(3) . ?
N2 C1 1.338(3) . ?
N2 C13 1.476(3) . ?
N3 C21 1.305(3) . ?
N3 C27 1.475(3) . ?
N4 C21 1.362(4) . ?
N4 C33 1.470(3) . ?
C1 C2 1.453(4) . ?
C2 C3 1.188(4) . ?
C3 C4 1.438(4) . ?
C4 C6 1.498(6) . ?
C4 C5 1.503(6) . ?
C5 C6 1.453(7) . ?
C7 C12 1.521(4) . ?
C7 C8 1.533(4) . ?
C8 C9 1.524(4) . ?
C9 C10 1.521(5) . ?
C10 C11 1.525(5) . ?
C11 C12 1.525(4) . ?
C13 C14 1.515(4) . ?
C13 C18 1.525(4) . ?
C14 C15 1.522(4) . ?
C15 C16 1.511(5) . ?
C16 C17 1.523(4) . ?
C17 C18 1.525(4) . ?
C21 C22 1.463(4) . ?
C22 C23 1.186(4) . ?
C23 C24 1.443(4) . ?
C24 C25 1.472(6) . ?
C24 C26 1.502(6) . ?
C25 C26 1.427(6) . ?
C27 C32 1.521(4) . ?
C27 C28 1.532(3) . ?
C28 C29 1.523(4) . ?
C29 C30 1.522(4) . ?
C30 C31 1.518(4) . ?
C31 C32 1.518(4) . ?
C33 C38 1.516(4) . ?
C33 C34 1.518(4) . ?
C34 C35 1.526(4) . ?
C35 C36 1.518(5) . ?
C36 C37 1.511(5) . ?
C37 C38 1.522(4) . ?
C41 C48 1.400(5) . ?
C41 C42 1.404(4) . ?
C42 C43 1.405(4) . ?
C43 C44 1.404(4) . ?
C44 C45 1.405(5) . ?
C45 C46 1.403(5) . ?
C46 C47 1.403(5) . ?
C47 C48 1.410(5) . ?
C51 C52 1.486(5) . ?
C53 C54 1.487(5) . ?

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
N2 Pr N3 88.49(7) . . ?
N2 Pr N4 83.43(7) . . ?
N3 Pr N4 52.39(7) . . ?
N2 Pr C43 99.04(8) . . ?
N3 Pr C43 96.13(9) . . ?
N4 Pr C43 148.48(9) . . ?
N2 Pr C44 84.16(8) . . ?
N3 Pr C44 121.85(9) . . ?
N4 Pr C44 166.44(8) . . ?
C43 Pr C44 30.12(9) . . ?
N2 Pr C47 134.57(9) . . ?
N3 Pr C47 136.31(9) . . ?
N4 Pr C47 115.28(9) . . ?
C43 Pr C47 85.36(9) . . ?
C44 Pr C47 77.56(10) . . ?
N2 Pr C42 125.47(8) . . ?
N3 Pr C42 83.10(8) . . ?
N4 Pr C42 127.98(8) . . ?
C43 Pr C42 29.99(8) . . ?
C44 Pr C42 56.99(9) . . ?
C47 Pr C42 76.79(9) . . ?
N2 Pr C45 87.71(8) . . ?
N3 Pr C45 151.78(9) . . ?
N4 Pr C45 154.14(9) . . ?
C43 Pr C45 57.00(10) . . ?
C44 Pr C45 29.93(10) . . ?
C47 Pr C45 56.94(10) . . ?
C42 Pr C45 76.49(9) . . ?
N2 Pr C48 163.66(9) . . ?
N3 Pr C48 107.70(9) . . ?
N4 Pr C48 107.97(8) . . ?
C43 Pr C48 77.51(9) . . ?
C44 Pr C48 85.31(9) . . ?
C47 Pr C48 29.99(10) . . ?
C42 Pr C48 56.70(10) . . ?
C45 Pr C48 76.98(10) . . ?
N2 Pr C41 155.18(8) . . ?
N3 Pr C41 87.84(8) . . ?
N4 Pr C41 113.13(8) . . ?
C43 Pr C41 57.04(9) . . ?
C44 Pr C41 77.04(9) . . ?
C47 Pr C41 56.60(10) . . ?
C42 Pr C41 29.72(9) . . ?
C45 Pr C41 84.04(9) . . ?
C48 Pr C41 29.62(10) . . ?
N2 Pr C46 107.03(8) . . ?
N3 Pr C46 163.69(8) . . ?
N4 Pr C46 132.78(9) . . ?
C43 Pr C46 76.84(10) . . ?
C44 Pr C46 56.81(10) . . ?
C47 Pr C46 29.79(10) . . ?
C42 Pr C46 83.72(9) . . ?
C45 Pr C46 29.68(10) . . ?
C48 Pr C46 56.66(10) . . ?
C41 Pr C46 75.97(9) . . ?
N2 Pr N1 49.79(7) . . ?
N3 Pr N1 116.65(7) . . ?
N4 Pr N1 74.53(7) . . ?
C43 Pr N1 130.40(8) . . ?
C44 Pr N1 101.33(8) . . ?
C47 Pr N1 93.57(9) . . ?
C42 Pr N1 157.48(8) . . ?
C45 Pr N1 81.19(8) . . ?
C48 Pr N1 120.82(9) . . ?
C41 Pr N1 150.00(8) . . ?
C46 Pr N1 78.30(8) . . ?
O Li N4 125.5(3) . . ?
O Li N2 114.9(2) . . ?
N4 Li N2 108.5(2) . . ?
O Li N1 128.1(3) . . ?
N4 Li N1 99.7(2) . . ?
N2 Li N1 63.56(16) . . ?
O Li C1 116.8(2) . . ?
N4 Li C1 117.6(2) . . ?
N2 Li C1 33.68(11) . . ?
N1 Li C1 33.30(11) . . ?
O Li Pr 164.8(3) . . ?
N4 Li Pr 56.43(13) . . ?
N2 Li Pr 55.52(12) . . ?
N1 Li Pr 60.91(13) . . ?
C1 Li Pr 62.90(13) . . ?
C53 O C52 112.7(3) . . ?
C53 O Li 124.1(3) . . ?
C52 O Li 123.2(3) . . ?
C1 N1 C7 117.5(2) . . ?
C1 N1 Li 83.7(2) . . ?
C7 N1 Li 141.8(2) . . ?
C1 N1 Pr 82.83(15) . . ?
C7 N1 Pr 134.18(17) . . ?
Li N1 Pr 76.35(14) . . ?
C1 N2 C13 118.4(2) . . ?
C1 N2 Li 84.3(2) . . ?
C13 N2 Li 137.7(2) . . ?
C1 N2 Pr 91.07(15) . . ?
C13 N2 Pr 129.01(16) . . ?
Li N2 Pr 81.37(14) . . ?
C21 N3 C27 117.5(2) . . ?
C21 N3 Pr 92.92(16) . . ?
C27 N3 Pr 144.43(17) . . ?
C21 N4 C33 116.9(2) . . ?
C21 N4 Li 120.8(2) . . ?
C33 N4 Li 110.4(2) . . ?
C21 N4 Pr 91.41(16) . . ?
C33 N4 Pr 132.57(18) . . ?
Li N4 Pr 81.10(15) . . ?
N1 C1 N2 115.7(2) . . ?
N1 C1 C2 122.1(3) . . ?
N2 C1 C2 122.2(2) . . ?
N1 C1 Li 62.98(19) . . ?
N2 C1 Li 61.98(19) . . ?
C2 C1 Li 152.3(2) . . ?
N1 C1 Pr 70.37(14) . . ?
N2 C1 Pr 61.65(13) . . ?
C2 C1 Pr 137.50(19) . . ?
Li C1 Pr 70.02(13) . . ?
C3 C2 C1 175.4(3) . . ?
C2 C3 C4 178.2(4) . . ?
C3 C4 C6 118.1(3) . . ?
C3 C4 C5 118.9(4) . . ?
C6 C4 C5 57.9(3) . . ?
C6 C5 C4 60.9(3) . . ?
C5 C6 C4 61.2(3) . . ?
N1 C7 C12 110.9(2) . . ?
N1 C7 C8 111.3(2) . . ?
C12 C7 C8 109.0(2) . . ?
C9 C8 C7 112.0(3) . . ?
C10 C9 C8 111.4(3) . . ?
C9 C10 C11 110.3(3) . . ?
C12 C11 C10 111.2(3) . . ?
C7 C12 C11 111.5(3) . . ?
N2 C13 C14 109.0(2) . . ?
N2 C13 C18 111.9(2) . . ?
C14 C13 C18 109.9(2) . . ?
C13 C14 C15 112.5(2) . . ?
C16 C15 C14 111.0(3) . . ?
C15 C16 C17 111.0(3) . . ?
C16 C17 C18 111.2(2) . . ?
C13 C18 C17 111.1(3) . . ?
N3 C21 N4 118.5(2) . . ?
N3 C21 C22 122.2(2) . . ?
N4 C21 C22 119.3(2) . . ?
N3 C21 Pr 60.99(14) . . ?
N4 C21 Pr 61.23(14) . . ?
C22 C21 Pr 160.92(18) . . ?
C23 C22 C21 177.3(3) . . ?
C22 C23 C24 175.7(4) . . ?
C23 C24 C25 118.9(4) . . ?
C23 C24 C26 118.2(3) . . ?
C25 C24 C26 57.3(3) . . ?
C26 C25 C24 62.4(3) . . ?
C25 C26 C24 60.3(3) . . ?
N3 C27 C32 110.4(2) . . ?
N3 C27 C28 111.7(2) . . ?
C32 C27 C28 110.3(2) . . ?
C29 C28 C27 111.5(2) . . ?
C30 C29 C28 110.4(2) . . ?
C31 C30 C29 110.3(3) . . ?
C30 C31 C32 111.1(3) . . ?
C31 C32 C27 112.1(2) . . ?
N4 C33 C38 110.5(2) . . ?
N4 C33 C34 112.2(2) . . ?
C38 C33 C34 111.3(2) . . ?
C33 C34 C35 110.4(2) . . ?
C36 C35 C34 112.1(3) . . ?
C37 C36 C35 111.1(3) . . ?
C36 C37 C38 111.4(3) . . ?
C33 C38 C37 111.3(3) . . ?
C48 C41 C42 135.5(3) . . ?
C48 C41 Pr 74.88(17) . . ?
C42 C41 Pr 74.67(16) . . ?
C41 C42 C43 135.3(3) . . ?
C41 C42 Pr 75.61(17) . . ?
C43 C42 Pr 73.67(17) . . ?
C44 C43 C42 134.9(3) . . ?
C44 C43 Pr 75.34(17) . . ?
C42 C43 Pr 76.34(17) . . ?
C43 C44 C45 134.6(3) . . ?
C43 C44 Pr 74.54(17) . . ?
C45 C44 Pr 76.11(18) . . ?
C46 C45 C44 134.8(3) . . ?
C46 C45 Pr 75.52(18) . . ?
C44 C45 Pr 73.96(18) . . ?
C45 C46 C47 135.6(3) . . ?
C45 C46 Pr 74.80(18) . . ?
C47 C46 Pr 73.98(18) . . ?
C46 C47 C48 135.0(3) . . ?
C46 C47 Pr 76.23(17) . . ?
C48 C47 Pr 75.79(17) . . ?
C41 C48 C47 134.0(3) . . ?
C41 C48 Pr 75.50(16) . . ?
C47 C48 Pr 74.22(16) . . ?
O C52 C51 112.7(3) . . ?
O C53 C54 110.5(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Pr Li O 54.1(8) . . . . ?
N3 Pr Li O -51.4(9) . . . . ?
N4 Pr Li O -102.6(9) . . . . ?
C43 Pr Li O 29.0(10) . . . . ?
C44 Pr Li O 66.7(9) . . . . ?
C47 Pr Li O 171.4(8) . . . . ?
C42 Pr Li O -21.5(11) . . . . ?
C45 Pr Li O 101.7(9) . . . . ?
C48 Pr Li O -149.6(8) . . . . ?
C41 Pr Li O -94.9(9) . . . . ?
C46 Pr Li O 136.1(9) . . . . ?
N1 Pr Li O 130.5(10) . . . . ?
N2 Pr Li N4 156.8(2) . . . . ?
N3 Pr Li N4 51.25(13) . . . . ?
C43 Pr Li N4 131.58(15) . . . . ?
C44 Pr Li N4 169.29(12) . . . . ?
C47 Pr Li N4 -86.03(18) . . . . ?
C42 Pr Li N4 81.1(3) . . . . ?
C45 Pr Li N4 -155.73(12) . . . . ?
C48 Pr Li N4 -47.0(3) . . . . ?
C41 Pr Li N4 7.7(4) . . . . ?
C46 Pr Li N4 -121.25(14) . . . . ?
N1 Pr Li N4 -126.9(2) . . . . ?
N3 Pr Li N2 -105.51(14) . . . . ?
N4 Pr Li N2 -156.8(2) . . . . ?
C43 Pr Li N2 -25.2(2) . . . . ?
C44 Pr Li N2 12.5(2) . . . . ?
C47 Pr Li N2 117.21(15) . . . . ?
C42 Pr Li N2 -75.7(3) . . . . ?
C45 Pr Li N2 47.51(18) . . . . ?
C48 Pr Li N2 156.21(15) . . . . ?
C41 Pr Li N2 -149.1(2) . . . . ?
C46 Pr Li N2 81.98(16) . . . . ?
N1 Pr Li N2 76.35(15) . . . . ?
N2 Pr Li N1 -76.35(15) . . . . ?
N3 Pr Li N1 178.14(15) . . . . ?
N4 Pr Li N1 126.9(2) . . . . ?
C43 Pr Li N1 -101.53(18) . . . . ?
C44 Pr Li N1 -63.82(18) . . . . ?
C47 Pr Li N1 40.86(19) . . . . ?
C42 Pr Li N1 -152.04(18) . . . . ?
C45 Pr Li N1 -28.84(18) . . . . ?
C48 Pr Li N1 79.9(2) . . . . ?
C41 Pr Li N1 134.6(2) . . . . ?
C46 Pr Li N1 5.64(18) . . . . ?
N2 Pr Li C1 -38.51(12) . . . . ?
N3 Pr Li C1 -144.02(14) . . . . ?
N4 Pr Li C1 164.7(2) . . . . ?
C43 Pr Li C1 -63.7(2) . . . . ?
C44 Pr Li C1 -25.98(19) . . . . ?
C47 Pr Li C1 78.70(17) . . . . ?
C42 Pr Li C1 -114.2(2) . . . . ?
C45 Pr Li C1 9.01(18) . . . . ?
C48 Pr Li C1 117.71(17) . . . . ?
C41 Pr Li C1 172.4(2) . . . . ?
C46 Pr Li C1 43.48(17) . . . . ?
N1 Pr Li C1 37.84(11) . . . . ?
N4 Li O C53 -62.7(4) . . . . ?
N2 Li O C53 76.9(4) . . . . ?
N1 Li O C53 151.8(3) . . . . ?
C1 Li O C53 114.4(3) . . . . ?
Pr Li O C53 29.4(10) . . . . ?
N4 Li O C52 118.7(3) . . . . ?
N2 Li O C52 -101.7(3) . . . . ?
N1 Li O C52 -26.8(5) . . . . ?
C1 Li O C52 -64.2(4) . . . . ?
Pr Li O C52 -149.2(8) . . . . ?
O Li N1 C1 -81.2(3) . . . . ?
N4 Li N1 C1 126.7(2) . . . . ?
N2 Li N1 C1 20.66(16) . . . . ?
Pr Li N1 C1 84.12(15) . . . . ?
O Li N1 C7 46.4(5) . . . . ?
N4 Li N1 C7 -105.7(3) . . . . ?
N2 Li N1 C7 148.3(3) . . . . ?
C1 Li N1 C7 127.6(4) . . . . ?
Pr Li N1 C7 -148.3(3) . . . . ?
O Li N1 Pr -165.4(3) . . . . ?
N4 Li N1 Pr 42.54(16) . . . . ?
N2 Li N1 Pr -63.46(10) . . . . ?
C1 Li N1 Pr -84.12(15) . . . . ?
N2 Pr N1 C1 -24.82(15) . . . . ?
N3 Pr N1 C1 -87.24(17) . . . . ?
N4 Pr N1 C1 -119.32(17) . . . . ?
C43 Pr N1 C1 38.5(2) . . . . ?
C44 Pr N1 C1 47.40(18) . . . . ?
C47 Pr N1 C1 125.42(17) . . . . ?
C42 Pr N1 C1 62.0(3) . . . . ?
C45 Pr N1 C1 69.66(17) . . . . ?
C48 Pr N1 C1 138.69(16) . . . . ?
C41 Pr N1 C1 131.06(19) . . . . ?
C46 Pr N1 C1 99.70(17) . . . . ?
N2 Pr N1 C7 -146.6(3) . . . . ?
N3 Pr N1 C7 151.0(2) . . . . ?
N4 Pr N1 C7 118.9(3) . . . . ?
C43 Pr N1 C7 -83.3(3) . . . . ?
C44 Pr N1 C7 -74.4(3) . . . . ?
C47 Pr N1 C7 3.7(3) . . . . ?
C42 Pr N1 C7 -59.8(3) . . . . ?
C45 Pr N1 C7 -52.1(2) . . . . ?
C48 Pr N1 C7 16.9(3) . . . . ?
C41 Pr N1 C7 9.3(3) . . . . ?
C46 Pr N1 C7 -22.1(2) . . . . ?
N2 Pr N1 Li 60.42(16) . . . . ?
N3 Pr N1 Li -2.00(16) . . . . ?
N4 Pr N1 Li -34.08(15) . . . . ?
C43 Pr N1 Li 123.73(16) . . . . ?
C44 Pr N1 Li 132.65(15) . . . . ?
C47 Pr N1 Li -149.34(16) . . . . ?
C42 Pr N1 Li 147.3(2) . . . . ?
C45 Pr N1 Li 154.90(16) . . . . ?
C48 Pr N1 Li -136.07(16) . . . . ?
C41 Pr N1 Li -143.69(19) . . . . ?
C46 Pr N1 Li -175.06(16) . . . . ?
O Li N2 C1 101.6(3) . . . . ?
N4 Li N2 C1 -112.2(2) . . . . ?
N1 Li N2 C1 -20.45(15) . . . . ?
Pr Li N2 C1 -91.95(15) . . . . ?
O Li N2 C13 -25.4(5) . . . . ?
N4 Li N2 C13 120.8(3) . . . . ?
N1 Li N2 C13 -147.4(3) . . . . ?
C1 Li N2 C13 -126.9(3) . . . . ?
Pr Li N2 C13 141.1(3) . . . . ?
O Li N2 Pr -166.5(3) . . . . ?
N4 Li N2 Pr -20.29(19) . . . . ?
N1 Li N2 Pr 71.51(10) . . . . ?
C1 Li N2 Pr 91.95(15) . . . . ?
N3 Pr N2 C1 151.97(16) . . . . ?
N4 Pr N2 C1 99.66(17) . . . . ?
C43 Pr N2 C1 -112.07(17) . . . . ?
C44 Pr N2 C1 -85.80(17) . . . . ?
C47 Pr N2 C1 -19.7(2) . . . . ?
C42 Pr N2 C1 -127.61(16) . . . . ?
C45 Pr N2 C1 -56.00(17) . . . . ?
C48 Pr N2 C1 -35.7(4) . . . . ?
C41 Pr N2 C1 -126.5(2) . . . . ?
C46 Pr N2 C1 -33.16(18) . . . . ?
N1 Pr N2 C1 24.39(15) . . . . ?
N3 Pr N2 C13 -79.2(2) . . . . ?
N4 Pr N2 C13 -131.5(2) . . . . ?
C43 Pr N2 C13 16.8(2) . . . . ?
C44 Pr N2 C13 43.0(2) . . . . ?
C47 Pr N2 C13 109.2(2) . . . . ?
C42 Pr N2 C13 1.2(2) . . . . ?
C45 Pr N2 C13 72.8(2) . . . . ?
C48 Pr N2 C13 93.2(4) . . . . ?
C41 Pr N2 C13 2.4(3) . . . . ?
C46 Pr N2 C13 95.7(2) . . . . ?
N1 Pr N2 C13 153.2(2) . . . . ?
N3 Pr N2 Li 67.86(15) . . . . ?
N4 Pr N2 Li 15.55(15) . . . . ?
C43 Pr N2 Li 163.83(16) . . . . ?
C44 Pr N2 Li -169.91(16) . . . . ?
C47 Pr N2 Li -103.78(18) . . . . ?
C42 Pr N2 Li 148.28(16) . . . . ?
C45 Pr N2 Li -140.11(17) . . . . ?
C48 Pr N2 Li -119.8(3) . . . . ?
C41 Pr N2 Li 149.4(2) . . . . ?
C46 Pr N2 Li -117.27(16) . . . . ?
N1 Pr N2 Li -59.72(16) . . . . ?
N2 Pr N3 C21 -95.43(15) . . . . ?
N4 Pr N3 C21 -12.56(14) . . . . ?
C43 Pr N3 C21 165.64(15) . . . . ?
C44 Pr N3 C21 -177.59(14) . . . . ?
C47 Pr N3 C21 75.95(18) . . . . ?
C42 Pr N3 C21 138.57(15) . . . . ?
C45 Pr N3 C21 -177.74(17) . . . . ?
C48 Pr N3 C21 86.82(16) . . . . ?
C41 Pr N3 C21 109.12(16) . . . . ?
C46 Pr N3 C21 102.3(3) . . . . ?
N1 Pr N3 C21 -52.81(16) . . . . ?
N2 Pr N3 C27 114.6(3) . . . . ?
N4 Pr N3 C27 -162.5(3) . . . . ?
C43 Pr N3 C27 15.7(3) . . . . ?
C44 Pr N3 C27 32.4(3) . . . . ?
C47 Pr N3 C27 -74.0(3) . . . . ?
C42 Pr N3 C27 -11.4(3) . . . . ?
C45 Pr N3 C27 32.3(3) . . . . ?
C48 Pr N3 C27 -63.2(3) . . . . ?
C41 Pr N3 C27 -40.9(3) . . . . ?
C46 Pr N3 C27 -47.7(4) . . . . ?
N1 Pr N3 C27 157.2(2) . . . . ?
O Li N4 C21 75.4(4) . . . . ?
N2 Li N4 C21 -66.3(3) . . . . ?
N1 Li N4 C21 -131.5(2) . . . . ?
C1 Li N4 C21 -101.7(3) . . . . ?
Pr Li N4 C21 -86.3(2) . . . . ?
O Li N4 C33 -66.0(4) . . . . ?
N2 Li N4 C33 152.3(2) . . . . ?
N1 Li N4 C33 87.1(3) . . . . ?
C1 Li N4 C33 116.9(3) . . . . ?
Pr Li N4 C33 132.2(2) . . . . ?
O Li N4 Pr 161.7(3) . . . . ?
N2 Li N4 Pr 20.06(19) . . . . ?
N1 Li N4 Pr -45.15(17) . . . . ?
C1 Li N4 Pr -15.3(2) . . . . ?
N2 Pr N4 C21 105.17(15) . . . . ?
N3 Pr N4 C21 12.01(13) . . . . ?
C43 Pr N4 C21 8.6(2) . . . . ?
C44 Pr N4 C21 81.3(4) . . . . ?
C47 Pr N4 C21 -118.21(16) . . . . ?
C42 Pr N4 C21 -25.45(18) . . . . ?
C45 Pr N4 C21 175.91(18) . . . . ?
C48 Pr N4 C21 -86.83(16) . . . . ?
C41 Pr N4 C21 -55.61(16) . . . . ?
C46 Pr N4 C21 -147.67(15) . . . . ?
N1 Pr N4 C21 155.20(15) . . . . ?
N2 Pr N4 C33 -125.3(2) . . . . ?
N3 Pr N4 C33 141.5(2) . . . . ?
C43 Pr N4 C33 138.1(2) . . . . ?
C44 Pr N4 C33 -149.1(3) . . . . ?
C47 Pr N4 C33 11.3(2) . . . . ?
C42 Pr N4 C33 104.1(2) . . . . ?
C45 Pr N4 C33 -54.5(3) . . . . ?
C48 Pr N4 C33 42.7(2) . . . . ?
C41 Pr N4 C33 73.9(2) . . . . ?
C46 Pr N4 C33 -18.1(3) . . . . ?
N1 Pr N4 C33 -75.3(2) . . . . ?
N2 Pr N4 Li -15.75(16) . . . . ?
N3 Pr N4 Li -108.91(17) . . . . ?
C43 Pr N4 Li -112.3(2) . . . . ?
C44 Pr N4 Li -39.6(4) . . . . ?
C47 Pr N4 Li 120.87(17) . . . . ?
C42 Pr N4 Li -146.37(16) . . . . ?
C45 Pr N4 Li 55.0(2) . . . . ?
C48 Pr N4 Li 152.25(17) . . . . ?
C41 Pr N4 Li -176.53(16) . . . . ?
C46 Pr N4 Li 91.41(18) . . . . ?
N1 Pr N4 Li 34.28(16) . . . . ?
C7 N1 C1 N2 179.6(2) . . . . ?
Li N1 C1 N2 -33.9(3) . . . . ?
Pr N1 C1 N2 43.1(2) . . . . ?
C7 N1 C1 C2 2.1(4) . . . . ?
Li N1 C1 C2 148.6(3) . . . . ?
Pr N1 C1 C2 -134.4(2) . . . . ?
C7 N1 C1 Li -146.4(3) . . . . ?
Pr N1 C1 Li 76.97(14) . . . . ?
C7 N1 C1 Pr 136.6(2) . . . . ?
Li N1 C1 Pr -76.97(14) . . . . ?
C13 N2 C1 N1 176.5(2) . . . . ?
Li N2 C1 N1 34.3(3) . . . . ?
Pr N2 C1 N1 -47.0(2) . . . . ?
C13 N2 C1 C2 -6.0(4) . . . . ?
Li N2 C1 C2 -148.2(3) . . . . ?
Pr N2 C1 C2 130.6(2) . . . . ?
C13 N2 C1 Li 142.3(3) . . . . ?
Pr N2 C1 Li -81.22(14) . . . . ?
C13 N2 C1 Pr -136.5(2) . . . . ?
Li N2 C1 Pr 81.22(14) . . . . ?
O Li C1 N1 119.5(3) . . . . ?
N4 Li C1 N1 -63.2(3) . . . . ?
N2 Li C1 N1 -145.3(3) . . . . ?
Pr Li C1 N1 -77.54(15) . . . . ?
O Li C1 N2 -95.3(3) . . . . ?
N4 Li C1 N2 82.1(3) . . . . ?
N1 Li C1 N2 145.3(3) . . . . ?
Pr Li C1 N2 67.73(14) . . . . ?
O Li C1 C2 11.3(7) . . . . ?
N4 Li C1 C2 -171.4(4) . . . . ?
N2 Li C1 C2 106.5(5) . . . . ?
N1 Li C1 C2 -108.2(5) . . . . ?
Pr Li C1 C2 174.3(5) . . . . ?
O Li C1 Pr -163.0(3) . . . . ?
N4 Li C1 Pr 14.3(2) . . . . ?
N2 Li C1 Pr -67.73(15) . . . . ?
N1 Li C1 Pr 77.54(15) . . . . ?
N2 Pr C1 N1 135.6(3) . . . . ?
N3 Pr C1 N1 105.08(16) . . . . ?
N4 Pr C1 N1 57.20(16) . . . . ?
C43 Pr C1 N1 -150.10(16) . . . . ?
C44 Pr C1 N1 -133.33(17) . . . . ?
C47 Pr C1 N1 -59.02(18) . . . . ?
C42 Pr C1 N1 -149.62(16) . . . . ?
C45 Pr C1 N1 -104.38(18) . . . . ?
C48 Pr C1 N1 -58.7(2) . . . . ?
C41 Pr C1 N1 -104.5(3) . . . . ?
C46 Pr C1 N1 -76.11(17) . . . . ?
N3 Pr C1 N2 -30.54(18) . . . . ?
N4 Pr C1 N2 -78.42(16) . . . . ?
C43 Pr C1 N2 74.28(17) . . . . ?
C44 Pr C1 N2 91.05(17) . . . . ?
C47 Pr C1 N2 165.36(16) . . . . ?
C42 Pr C1 N2 74.8(2) . . . . ?
C45 Pr C1 N2 120.00(18) . . . . ?
C48 Pr C1 N2 165.69(16) . . . . ?
C41 Pr C1 N2 119.9(2) . . . . ?
C46 Pr C1 N2 148.26(17) . . . . ?
N1 Pr C1 N2 -135.6(3) . . . . ?
N2 Pr C1 C2 -107.9(3) . . . . ?
N3 Pr C1 C2 -138.4(3) . . . . ?
N4 Pr C1 C2 173.7(3) . . . . ?
C43 Pr C1 C2 -33.6(3) . . . . ?
C44 Pr C1 C2 -16.8(3) . . . . ?
C47 Pr C1 C2 57.5(3) . . . . ?
C42 Pr C1 C2 -33.1(3) . . . . ?
C45 Pr C1 C2 12.1(3) . . . . ?
C48 Pr C1 C2 57.8(3) . . . . ?
C41 Pr C1 C2 12.0(4) . . . . ?
C46 Pr C1 C2 40.4(3) . . . . ?
N1 Pr C1 C2 116.5(4) . . . . ?
N2 Pr C1 Li 68.2(2) . . . . ?
N3 Pr C1 Li 37.63(16) . . . . ?
N4 Pr C1 Li -10.25(15) . . . . ?
C43 Pr C1 Li 142.45(15) . . . . ?
C44 Pr C1 Li 159.22(16) . . . . ?
C47 Pr C1 Li -126.47(15) . . . . ?
C42 Pr C1 Li 142.93(16) . . . . ?
C45 Pr C1 Li -171.82(17) . . . . ?
C48 Pr C1 Li -126.14(17) . . . . ?
C41 Pr C1 Li -171.9(2) . . . . ?
C46 Pr C1 Li -143.56(16) . . . . ?
N1 Pr C1 Li -67.4(2) . . . . ?
N1 C1 C2 C3 20(4) . . . . ?
N2 C1 C2 C3 -158(4) . . . . ?
Li C1 C2 C3 112(4) . . . . ?
Pr C1 C2 C3 -76(4) . . . . ?
C1 C2 C3 C4 -2(14) . . . . ?
C2 C3 C4 C6 25(12) . . . . ?
C2 C3 C4 C5 -42(12) . . . . ?
C3 C4 C5 C6 106.7(5) . . . . ?
C3 C4 C6 C5 -108.2(4) . . . . ?
C1 N1 C7 C12 -159.2(3) . . . . ?
Li N1 C7 C12 83.4(4) . . . . ?
Pr N1 C7 C12 -51.2(4) . . . . ?
C1 N1 C7 C8 79.3(3) . . . . ?
Li N1 C7 C8 -38.1(4) . . . . ?
Pr N1 C7 C8 -172.68(19) . . . . ?
N1 C7 C8 C9 179.0(3) . . . . ?
C12 C7 C8 C9 56.4(4) . . . . ?
C7 C8 C9 C10 -56.2(4) . . . . ?
C8 C9 C10 C11 54.8(5) . . . . ?
C9 C10 C11 C12 -55.6(5) . . . . ?
N1 C7 C12 C11 -180.0(3) . . . . ?
C8 C7 C12 C11 -57.1(4) . . . . ?
C10 C11 C12 C7 57.9(4) . . . . ?
C1 N2 C13 C14 159.9(2) . . . . ?
Li N2 C13 C14 -84.9(4) . . . . ?
Pr N2 C13 C14 42.1(3) . . . . ?
C1 N2 C13 C18 -78.4(3) . . . . ?
Li N2 C13 C18 36.9(4) . . . . ?
Pr N2 C13 C18 163.89(18) . . . . ?
N2 C13 C14 C15 178.7(3) . . . . ?
C18 C13 C14 C15 55.7(4) . . . . ?
C13 C14 C15 C16 -55.6(4) . . . . ?
C14 C15 C16 C17 54.8(4) . . . . ?
C15 C16 C17 C18 -55.8(4) . . . . ?
N2 C13 C18 C17 -177.1(2) . . . . ?
C14 C13 C18 C17 -55.9(3) . . . . ?
C16 C17 C18 C13 56.6(4) . . . . ?
C27 N3 C21 N4 -177.2(2) . . . . ?
Pr N3 C21 N4 22.0(2) . . . . ?
C27 N3 C21 C22 2.8(4) . . . . ?
Pr N3 C21 C22 -158.1(2) . . . . ?
C27 N3 C21 Pr 160.9(2) . . . . ?
C33 N4 C21 N3 -162.4(2) . . . . ?
Li N4 C21 N3 58.6(3) . . . . ?
Pr N4 C21 N3 -21.9(2) . . . . ?
C33 N4 C21 C22 17.7(4) . . . . ?
Li N4 C21 C22 -121.4(3) . . . . ?
Pr N4 C21 C22 158.2(2) . . . . ?
C33 N4 C21 Pr -140.5(2) . . . . ?
Li N4 C21 Pr 80.5(2) . . . . ?
N2 Pr C21 N3 84.46(15) . . . . ?
N4 Pr C21 N3 158.0(2) . . . . ?
C43 Pr C21 N3 -16.77(17) . . . . ?
C44 Pr C21 N3 3.8(2) . . . . ?
C47 Pr C21 N3 -124.97(16) . . . . ?
C42 Pr C21 N3 -42.33(16) . . . . ?
C45 Pr C21 N3 27(2) . . . . ?
C48 Pr C21 N3 -100.78(16) . . . . ?
C41 Pr C21 N3 -71.79(16) . . . . ?
C46 Pr C21 N3 -143.32(19) . . . . ?
N1 Pr C21 N3 133.79(14) . . . . ?
N2 Pr C21 N4 -73.53(14) . . . . ?
N3 Pr C21 N4 -158.0(2) . . . . ?
C43 Pr C21 N4 -174.76(14) . . . . ?
C44 Pr C21 N4 -154.14(16) . . . . ?
C47 Pr C21 N4 77.05(17) . . . . ?
C42 Pr C21 N4 159.69(14) . . . . ?
C45 Pr C21 N4 -131(2) . . . . ?
C48 Pr C21 N4 101.23(15) . . . . ?
C41 Pr C21 N4 130.22(15) . . . . ?
C46 Pr C21 N4 58.7(2) . . . . ?
N1 Pr C21 N4 -24.20(15) . . . . ?
N2 Pr C21 C22 -170.5(6) . . . . ?
N3 Pr C21 C22 105.0(6) . . . . ?
N4 Pr C21 C22 -97.0(6) . . . . ?
C43 Pr C21 C22 88.2(6) . . . . ?
C44 Pr C21 C22 108.9(6) . . . . ?
C47 Pr C21 C22 -19.9(6) . . . . ?
C42 Pr C21 C22 62.7(6) . . . . ?
C45 Pr C21 C22 131.8(19) . . . . ?
C48 Pr C21 C22 4.2(6) . . . . ?
C41 Pr C21 C22 33.2(6) . . . . ?
C46 Pr C21 C22 -38.3(7) . . . . ?
N1 Pr C21 C22 -121.2(6) . . . . ?
N3 C21 C22 C23 162(6) . . . . ?
N4 C21 C22 C23 -18(7) . . . . ?
Pr C21 C22 C23 68(7) . . . . ?
C21 C22 C23 C24 11(11) . . . . ?
C22 C23 C24 C25 -39(5) . . . . ?
C22 C23 C24 C26 28(5) . . . . ?
C23 C24 C25 C26 106.7(4) . . . . ?
C23 C24 C26 C25 -107.9(5) . . . . ?
C21 N3 C27 C32 156.3(2) . . . . ?
Pr N3 C27 C32 -57.9(3) . . . . ?
C21 N3 C27 C28 -80.6(3) . . . . ?
Pr N3 C27 C28 65.1(3) . . . . ?
N3 C27 C28 C29 -178.0(2) . . . . ?
C32 C27 C28 C29 -54.9(3) . . . . ?
C27 C28 C29 C30 57.2(3) . . . . ?
C28 C29 C30 C31 -57.9(4) . . . . ?
C29 C30 C31 C32 57.1(4) . . . . ?
C30 C31 C32 C27 -55.8(4) . . . . ?
N3 C27 C32 C31 177.9(2) . . . . ?
C28 C27 C32 C31 54.0(3) . . . . ?
C21 N4 C33 C38 96.6(3) . . . . ?
Li N4 C33 C38 -120.3(3) . . . . ?
Pr N4 C33 C38 -23.6(3) . . . . ?
C21 N4 C33 C34 -138.5(3) . . . . ?
Li N4 C33 C34 4.6(3) . . . . ?
Pr N4 C33 C34 101.3(3) . . . . ?
N4 C33 C34 C35 180.0(3) . . . . ?
C38 C33 C34 C35 -55.6(4) . . . . ?
C33 C34 C35 C36 55.3(4) . . . . ?
C34 C35 C36 C37 -55.0(4) . . . . ?
C35 C36 C37 C38 54.6(5) . . . . ?
N4 C33 C38 C37 -178.5(3) . . . . ?
C34 C33 C38 C37 56.1(3) . . . . ?
C36 C37 C38 C33 -55.5(4) . . . . ?
N2 Pr C41 C48 145.3(2) . . . . ?
N3 Pr C41 C48 -133.00(19) . . . . ?
N4 Pr C41 C48 -85.85(19) . . . . ?
C43 Pr C41 C48 128.3(2) . . . . ?
C44 Pr C41 C48 103.6(2) . . . . ?
C47 Pr C41 C48 20.09(18) . . . . ?
C42 Pr C41 C48 147.2(3) . . . . ?
C45 Pr C41 C48 74.07(19) . . . . ?
C46 Pr C41 C48 45.03(19) . . . . ?
N1 Pr C41 C48 13.3(3) . . . . ?
N2 Pr C41 C42 -1.8(3) . . . . ?
N3 Pr C41 C42 79.84(17) . . . . ?
N4 Pr C41 C42 126.98(17) . . . . ?
C43 Pr C41 C42 -18.89(17) . . . . ?
C44 Pr C41 C42 -43.57(18) . . . . ?
C47 Pr C41 C42 -127.1(2) . . . . ?
C45 Pr C41 C42 -73.10(18) . . . . ?
C48 Pr C41 C42 -147.2(3) . . . . ?
C46 Pr C41 C42 -102.14(18) . . . . ?
N1 Pr C41 C42 -133.83(18) . . . . ?
C48 C41 C42 C43 -0.5(6) . . . . ?
Pr C41 C42 C43 47.8(3) . . . . ?
C48 C41 C42 Pr -48.3(4) . . . . ?
N2 Pr C42 C41 179.05(16) . . . . ?
N3 Pr C42 C41 -97.78(17) . . . . ?
N4 Pr C42 C41 -68.7(2) . . . . ?
C43 Pr C42 C41 147.1(3) . . . . ?
C44 Pr C42 C41 126.8(2) . . . . ?
C47 Pr C42 C41 43.17(18) . . . . ?
C45 Pr C42 C41 101.85(18) . . . . ?
C48 Pr C42 C41 18.70(17) . . . . ?
C46 Pr C42 C41 72.59(18) . . . . ?
N1 Pr C42 C41 109.6(2) . . . . ?
N2 Pr C42 C43 32.0(2) . . . . ?
N3 Pr C42 C43 115.14(18) . . . . ?
N4 Pr C42 C43 144.17(17) . . . . ?
C44 Pr C42 C43 -20.30(18) . . . . ?
C47 Pr C42 C43 -103.91(19) . . . . ?
C45 Pr C42 C43 -45.23(18) . . . . ?
C48 Pr C42 C43 -128.4(2) . . . . ?
C41 Pr C42 C43 -147.1(3) . . . . ?
C46 Pr C42 C43 -74.48(19) . . . . ?
N1 Pr C42 C43 -37.4(3) . . . . ?
C41 C42 C43 C44 4.0(6) . . . . ?
Pr C42 C43 C44 52.4(3) . . . . ?
C41 C42 C43 Pr -48.4(3) . . . . ?
N2 Pr C43 C44 61.33(18) . . . . ?
N3 Pr C43 C44 150.77(17) . . . . ?
N4 Pr C43 C44 153.50(17) . . . . ?
C47 Pr C43 C44 -73.10(19) . . . . ?
C42 Pr C43 C44 -144.6(3) . . . . ?
C45 Pr C43 C44 -19.95(17) . . . . ?
C48 Pr C43 C44 -102.41(19) . . . . ?
C41 Pr C43 C44 -125.8(2) . . . . ?
C46 Pr C43 C44 -44.17(18) . . . . ?
N1 Pr C43 C44 17.6(2) . . . . ?
N2 Pr C43 C42 -154.11(17) . . . . ?
N3 Pr C43 C42 -64.67(18) . . . . ?
N4 Pr C43 C42 -61.9(2) . . . . ?
C44 Pr C43 C42 144.6(3) . . . . ?
C47 Pr C43 C42 71.46(19) . . . . ?
C45 Pr C43 C42 124.6(2) . . . . ?
C48 Pr C43 C42 42.15(18) . . . . ?
C41 Pr C43 C42 18.73(17) . . . . ?
C46 Pr C43 C42 100.39(19) . . . . ?
N1 Pr C43 C42 162.19(16) . . . . ?
C42 C43 C44 C45 -1.2(6) . . . . ?
Pr C43 C44 C45 51.5(4) . . . . ?
C42 C43 C44 Pr -52.7(3) . . . . ?
N2 Pr C44 C43 -119.42(18) . . . . ?
N3 Pr C44 C43 -34.9(2) . . . . ?
N4 Pr C44 C43 -95.6(4) . . . . ?
C47 Pr C44 C43 102.42(19) . . . . ?
C42 Pr C44 C43 20.22(16) . . . . ?
C45 Pr C44 C43 145.0(3) . . . . ?
C48 Pr C44 C43 73.09(18) . . . . ?
C41 Pr C44 C43 44.27(18) . . . . ?
C46 Pr C44 C43 125.8(2) . . . . ?
N1 Pr C44 C43 -166.39(17) . . . . ?
N2 Pr C44 C45 95.58(18) . . . . ?
N3 Pr C44 C45 -179.86(16) . . . . ?
N4 Pr C44 C45 119.4(4) . . . . ?
C43 Pr C44 C45 -145.0(3) . . . . ?
C47 Pr C44 C45 -42.57(18) . . . . ?
C42 Pr C44 C45 -124.8(2) . . . . ?
C48 Pr C44 C45 -71.91(19) . . . . ?
C41 Pr C44 C45 -100.72(19) . . . . ?
C46 Pr C44 C45 -19.16(16) . . . . ?
N1 Pr C44 C45 48.62(18) . . . . ?
C43 C44 C45 C46 -1.7(7) . . . . ?
Pr C44 C45 C46 49.3(4) . . . . ?
C43 C44 C45 Pr -51.0(4) . . . . ?
N2 Pr C45 C46 131.44(18) . . . . ?
N3 Pr C45 C46 -146.05(18) . . . . ?
N4 Pr C45 C46 61.6(3) . . . . ?
C43 Pr C45 C46 -126.2(2) . . . . ?
C44 Pr C45 C46 -146.3(3) . . . . ?
C47 Pr C45 C46 -18.32(17) . . . . ?
C42 Pr C45 C46 -101.20(19) . . . . ?
C48 Pr C45 C46 -42.80(18) . . . . ?
C41 Pr C45 C46 -72.00(19) . . . . ?
N1 Pr C45 C46 81.81(18) . . . . ?
N2 Pr C45 C44 -82.25(18) . . . . ?
N3 Pr C45 C44 0.3(3) . . . . ?
N4 Pr C45 C44 -152.07(18) . . . . ?
C43 Pr C45 C44 20.07(16) . . . . ?
C47 Pr C45 C44 128.0(2) . . . . ?
C42 Pr C45 C44 45.10(17) . . . . ?
C48 Pr C45 C44 103.50(19) . . . . ?
C41 Pr C45 C44 74.31(18) . . . . ?
C46 Pr C45 C44 146.3(3) . . . . ?
N1 Pr C45 C44 -131.89(18) . . . . ?
C44 C45 C46 C47 -2.0(7) . . . . ?
Pr C45 C46 C47 46.7(4) . . . . ?
C44 C45 C46 Pr -48.8(4) . . . . ?
N2 Pr C46 C45 -51.57(19) . . . . ?
N3 Pr C46 C45 109.9(3) . . . . ?
N4 Pr C46 C45 -148.48(16) . . . . ?
C43 Pr C46 C45 44.01(18) . . . . ?
C44 Pr C46 C45 19.31(17) . . . . ?
C47 Pr C46 C45 148.0(3) . . . . ?
C42 Pr C46 C45 73.66(18) . . . . ?
C48 Pr C46 C45 127.6(2) . . . . ?
C41 Pr C46 C45 102.84(19) . . . . ?
N1 Pr C46 C45 -92.72(18) . . . . ?
N2 Pr C46 C47 160.47(18) . . . . ?
N3 Pr C46 C47 -38.1(4) . . . . ?
N4 Pr C46 C47 63.6(2) . . . . ?
C43 Pr C46 C47 -104.0(2) . . . . ?
C44 Pr C46 C47 -128.7(2) . . . . ?
C42 Pr C46 C47 -74.3(2) . . . . ?
C45 Pr C46 C47 -148.0(3) . . . . ?
C48 Pr C46 C47 -20.38(18) . . . . ?
C41 Pr C46 C47 -45.12(19) . . . . ?
N1 Pr C46 C47 119.3(2) . . . . ?
C45 C46 C47 C48 6.0(7) . . . . ?
Pr C46 C47 C48 52.9(4) . . . . ?
C45 C46 C47 Pr -47.0(4) . . . . ?
N2 Pr C47 C46 -26.7(2) . . . . ?
N3 Pr C47 C46 165.48(17) . . . . ?
N4 Pr C47 C46 -133.38(18) . . . . ?
C43 Pr C47 C46 71.5(2) . . . . ?
C44 Pr C47 C46 42.01(19) . . . . ?
C42 Pr C47 C46 100.6(2) . . . . ?
C45 Pr C47 C46 18.26(18) . . . . ?
C48 Pr C47 C46 144.4(3) . . . . ?
C41 Pr C47 C46 124.6(2) . . . . ?
N1 Pr C47 C46 -58.81(19) . . . . ?
N2 Pr C47 C48 -171.08(16) . . . . ?
N3 Pr C47 C48 21.1(2) . . . . ?
N4 Pr C47 C48 82.20(19) . . . . ?
C43 Pr C47 C48 -72.95(19) . . . . ?
C44 Pr C47 C48 -102.40(19) . . . . ?
C42 Pr C47 C48 -43.82(18) . . . . ?
C45 Pr C47 C48 -126.2(2) . . . . ?
C41 Pr C47 C48 -19.85(17) . . . . ?
C46 Pr C47 C48 -144.4(3) . . . . ?
N1 Pr C47 C48 156.77(18) . . . . ?
C42 C41 C48 C47 -1.9(6) . . . . ?
Pr C41 C48 C47 -50.1(4) . . . . ?
C42 C41 C48 Pr 48.3(4) . . . . ?
C46 C47 C48 C41 -2.5(6) . . . . ?
Pr C47 C48 C41 50.6(4) . . . . ?
C46 C47 C48 Pr -53.1(4) . . . . ?
N2 Pr C48 C41 -121.9(3) . . . . ?
N3 Pr C48 C41 50.10(19) . . . . ?
N4 Pr C48 C41 105.36(18) . . . . ?
C43 Pr C48 C41 -42.43(18) . . . . ?
C44 Pr C48 C41 -71.88(19) . . . . ?
C47 Pr C48 C41 -145.0(3) . . . . ?
C42 Pr C48 C41 -18.76(17) . . . . ?
C45 Pr C48 C41 -101.01(19) . . . . ?
C46 Pr C48 C41 -124.8(2) . . . . ?
N1 Pr C48 C41 -172.28(16) . . . . ?
N2 Pr C48 C47 23.1(4) . . . . ?
N3 Pr C48 C47 -164.89(17) . . . . ?
N4 Pr C48 C47 -109.64(18) . . . . ?
C43 Pr C48 C47 102.6(2) . . . . ?
C44 Pr C48 C47 73.12(19) . . . . ?
C42 Pr C48 C47 126.2(2) . . . . ?
C45 Pr C48 C47 44.00(19) . . . . ?
C41 Pr C48 C47 145.0(3) . . . . ?
C46 Pr C48 C47 20.25(18) . . . . ?
N1 Pr C48 C47 -27.3(2) . . . . ?
C53 O C52 C51 -84.8(4) . . . . ?
Li O C52 C51 93.9(4) . . . . ?
C52 O C53 C54 -170.2(3) . . . . ?
Li O C53 C54 11.0(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         0.887
_refine_diff_density_min         -1.490
_refine_diff_density_rms         0.075

####################################################################### 
# 
# 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_ip359
_database_code_depnum_ccdc_archive 'CCDC 1057407'
_audit_update_record             
;
2015-04-01 deposited with the CCDC.
2016-06-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H54 Li N4 Nd O'
_chemical_formula_weight         710.01

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'
Nd Nd -0.1943 3.0179 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   P212121

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

_cell_length_a                   17.592(3)
_cell_length_b                   20.156(4)
_cell_length_c                   20.206(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     7165(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    39875
_cell_measurement_theta_min      2.02
_cell_measurement_theta_max      29.57

_exptl_crystal_description       prism
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.316
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2952
_exptl_absorpt_coefficient_mu    1.481
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_correction_T_min  0.4819
_exptl_absorpt_correction_T_max  0.4912
_exptl_absorpt_process_details   
;
Interpolation using  Int.Tab. Vol. C (1992) p. 523,Tab. 6.3.3.3
for values of muR in the range 0-2.5, and Int.Tab. Vol.II (1959)
p.302; Table 5.3.6 B for muR in the range 2.6-10.0.
The interpolation procedure of C.W.Dwiggins Jr (Acta Cryst.(1975)
A31,146-148) is used with some modification.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            40920
_diffrn_reflns_av_R_equivalents  0.0849
_diffrn_reflns_av_sigmaI/netI    0.0947
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.25
_diffrn_reflns_theta_max         26.37
_reflns_number_total             14633
_reflns_number_gt                11393
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_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)+(0.0271P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.490(14)
_refine_ls_number_reflns         14633
_refine_ls_number_parameters     775
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0442
_refine_ls_wR_factor_ref         0.0815
_refine_ls_wR_factor_gt          0.0771
_refine_ls_goodness_of_fit_ref   0.917
_refine_ls_restrained_S_all      0.917
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Nd1 Nd 0.175741(12) 0.162279(15) 0.870615(18) 0.02093(7) Uani 1 1 d . . .
Nd2 Nd 0.192746(12) 0.332352(15) 0.365678(18) 0.01904(7) Uani 1 1 d . . .
C41 C 0.1833(3) 0.1868(2) 0.3582(3) 0.0221(13) Uani 1 1 d . . .
C42 C 0.1695(3) 0.1346(3) 0.3098(4) 0.0292(15) Uani 1 1 d . . .
C43 C 0.1539(3) 0.0942(3) 0.2689(3) 0.0262(14) Uani 1 1 d . . .
C44 C 0.1339(3) 0.0445(3) 0.2218(4) 0.0297(15) Uani 1 1 d . . .
H44 H 0.1745 0.0320 0.1896 0.036 Uiso 1 1 calc R . .
C45 C 0.0533(3) 0.0414(4) 0.1962(4) 0.0340(16) Uani 1 1 d . . .
H45A H 0.0166 0.0743 0.2135 0.041 Uiso 1 1 calc R . .
H45B H 0.0458 0.0290 0.1493 0.041 Uiso 1 1 calc R . .
C46 C 0.0803(3) -0.0104(4) 0.2419(4) 0.0330(17) Uani 1 1 d . . .
H46A H 0.0896 -0.0552 0.2235 0.040 Uiso 1 1 calc R . .
H46B H 0.0604 -0.0098 0.2877 0.040 Uiso 1 1 calc R . .
C47 C 0.3181(3) 0.1844(3) 0.3330(4) 0.0338(15) Uani 1 1 d . . .
H47 H 0.3036 0.1388 0.3183 0.041 Uiso 1 1 calc R . .
C48 C 0.3453(4) 0.2232(5) 0.2728(5) 0.056(2) Uani 1 1 d . . .
H48A H 0.3040 0.2262 0.2404 0.085 Uiso 1 1 calc R . .
H48B H 0.3888 0.2003 0.2528 0.085 Uiso 1 1 calc R . .
H48C H 0.3605 0.2679 0.2864 0.085 Uiso 1 1 calc R . .
C49 C 0.3812(3) 0.1784(4) 0.3847(4) 0.054(2) Uani 1 1 d . . .
H49A H 0.3626 0.1528 0.4226 0.081 Uiso 1 1 calc R . .
H49B H 0.3963 0.2228 0.3995 0.081 Uiso 1 1 calc R . .
H49C H 0.4251 0.1559 0.3651 0.081 Uiso 1 1 calc R . .
C50 C 0.0532(3) 0.1786(3) 0.3928(4) 0.0286(15) Uani 1 1 d . . .
H50 H 0.0409 0.1684 0.3456 0.034 Uiso 1 1 calc R . .
C51 C -0.0078(3) 0.2242(3) 0.4204(4) 0.0342(16) Uani 1 1 d . . .
H51A H -0.0090 0.2654 0.3947 0.051 Uiso 1 1 calc R . .
H51B H 0.0037 0.2344 0.4668 0.051 Uiso 1 1 calc R . .
H51C H -0.0573 0.2021 0.4176 0.051 Uiso 1 1 calc R . .
C52 C 0.0558(3) 0.1138(3) 0.4318(4) 0.0360(17) Uani 1 1 d . . .
H52A H 0.0946 0.0846 0.4128 0.054 Uiso 1 1 calc R . .
H52B H 0.0061 0.0920 0.4295 0.054 Uiso 1 1 calc R . .
H52C H 0.0684 0.1232 0.4781 0.054 Uiso 1 1 calc R . .
C53 C 0.2405(4) 0.3774(4) 0.2477(4) 0.045(2) Uani 1 1 d . . .
H53 H 0.2869 0.3709 0.2246 0.054 Uiso 1 1 calc R . .
C54 C 0.1858(5) 0.3291(4) 0.2329(3) 0.051(2) Uani 1 1 d . . .
H54 H 0.2034 0.2964 0.2026 0.061 Uiso 1 1 calc R . .
C55 C 0.1100(5) 0.3187(4) 0.2534(5) 0.050(2) Uani 1 1 d . . .
H55 H 0.0874 0.2820 0.2314 0.060 Uiso 1 1 calc R . .
C56 C 0.0614(4) 0.3475(4) 0.2962(5) 0.050(2) Uani 1 1 d . . .
H56 H 0.0130 0.3265 0.2965 0.060 Uiso 1 1 calc R . .
C57 C 0.0651(3) 0.4016(4) 0.3412(4) 0.044(2) Uani 1 1 d . . .
H57 H 0.0197 0.4060 0.3662 0.053 Uiso 1 1 calc R . .
C58 C 0.1189(4) 0.4504(3) 0.3581(5) 0.0416(19) Uani 1 1 d . . .
H58 H 0.1027 0.4801 0.3918 0.050 Uiso 1 1 calc R . .
C59 C 0.1922(4) 0.4628(3) 0.3341(4) 0.0362(17) Uani 1 1 d . . .
H59 H 0.2137 0.5015 0.3535 0.043 Uiso 1 1 calc R . .
C60 C 0.2414(4) 0.4336(4) 0.2894(4) 0.043(2) Uani 1 1 d . . .
H60 H 0.2879 0.4574 0.2859 0.051 Uiso 1 1 calc R . .
C61 C 0.2662(3) 0.3593(3) 0.4939(3) 0.0227(14) Uani 1 1 d . . .
C62 C 0.2886(3) 0.3974(3) 0.5525(3) 0.0246(14) Uani 1 1 d . . .
C63 C 0.3075(3) 0.4338(3) 0.5958(3) 0.0265(14) Uani 1 1 d . . .
C64 C 0.3295(3) 0.4810(3) 0.6463(4) 0.0351(17) Uani 1 1 d . . .
H64 H 0.2878 0.4969 0.6759 0.042 Uiso 1 1 calc R . .
C65 C 0.4068(3) 0.4794(4) 0.6763(4) 0.0410(19) Uani 1 1 d . . .
H65A H 0.4115 0.4920 0.7234 0.049 Uiso 1 1 calc R . .
H65B H 0.4417 0.4436 0.6619 0.049 Uiso 1 1 calc R . .
C66 C 0.3894(3) 0.5321(3) 0.6286(5) 0.0398(16) Uani 1 1 d . . .
H66A H 0.4130 0.5293 0.5842 0.048 Uiso 1 1 calc R . .
H66B H 0.3829 0.5777 0.6458 0.048 Uiso 1 1 calc R . .
C67 C 0.1476(3) 0.3327(4) 0.5491(3) 0.0352(15) Uani 1 1 d . . .
H67 H 0.1726 0.3604 0.5840 0.042 Uiso 1 1 calc R . .
C68 C 0.1240(4) 0.2660(4) 0.5803(4) 0.048(2) Uani 1 1 d . . .
H68A H 0.1693 0.2429 0.5965 0.073 Uiso 1 1 calc R . .
H68B H 0.0985 0.2386 0.5470 0.073 Uiso 1 1 calc R . .
H68C H 0.0892 0.2742 0.6173 0.073 Uiso 1 1 calc R . .
C69 C 0.0785(4) 0.3697(4) 0.5236(4) 0.0432(19) Uani 1 1 d . . .
H69A H 0.0945 0.4120 0.5042 0.065 Uiso 1 1 calc R . .
H69B H 0.0434 0.3781 0.5604 0.065 Uiso 1 1 calc R . .
H69C H 0.0529 0.3428 0.4899 0.065 Uiso 1 1 calc R . .
C70 C 0.3795(3) 0.3974(3) 0.4395(4) 0.0275(14) Uani 1 1 d . . .
H70 H 0.4061 0.3885 0.4823 0.033 Uiso 1 1 calc R . .
C71 C 0.4285(3) 0.3699(4) 0.3835(4) 0.044(2) Uani 1 1 d . . .
H71A H 0.4341 0.3218 0.3889 0.066 Uiso 1 1 calc R . .
H71B H 0.4787 0.3909 0.3848 0.066 Uiso 1 1 calc R . .
H71C H 0.4041 0.3794 0.3409 0.066 Uiso 1 1 calc R . .
C72 C 0.3697(3) 0.4719(3) 0.4325(4) 0.0363(17) Uani 1 1 d . . .
H72A H 0.3386 0.4887 0.4691 0.054 Uiso 1 1 calc R . .
H72B H 0.3445 0.4818 0.3903 0.054 Uiso 1 1 calc R . .
H72C H 0.4197 0.4934 0.4334 0.054 Uiso 1 1 calc R . .
C73 C 0.2531(5) 0.0869(4) 0.5111(6) 0.074(3) Uani 1 1 d . . .
H73A H 0.2501 0.0759 0.4635 0.089 Uiso 1 1 calc R . .
H73B H 0.2084 0.0675 0.5338 0.089 Uiso 1 1 calc R . .
C74 C 0.3261(6) 0.0604(5) 0.5408(8) 0.098(5) Uani 1 1 d . . .
H74A H 0.3167 0.0188 0.5655 0.118 Uiso 1 1 calc R . .
H74B H 0.3643 0.0517 0.5059 0.118 Uiso 1 1 calc R . .
C75 C 0.3511(7) 0.1109(6) 0.5836(7) 0.117(6) Uani 1 1 d . . .
H75A H 0.4069 0.1160 0.5800 0.140 Uiso 1 1 calc R . .
H75B H 0.3388 0.0991 0.6299 0.140 Uiso 1 1 calc R . .
C76 C 0.3142(5) 0.1729(6) 0.5663(5) 0.073(3) Uani 1 1 d . . .
H76A H 0.2925 0.1942 0.6062 0.087 Uiso 1 1 calc R . .
H76B H 0.3511 0.2038 0.5459 0.087 Uiso 1 1 calc R . .
N1 N 0.2903(2) 0.1685(3) 0.9519(2) 0.0228(10) Uani 1 1 d . . .
N2 N 0.1722(2) 0.1603(3) 0.9970(3) 0.0245(11) Uani 1 1 d . . .
N3 N 0.1677(3) 0.2873(2) 0.8884(3) 0.0262(12) Uani 1 1 d . . .
N4 N 0.2657(3) 0.2636(3) 0.8210(3) 0.0260(12) Uani 1 1 d . . .
N5 N 0.1284(2) 0.2119(2) 0.3956(3) 0.0223(11) Uani 1 1 d . . .
N6 N 0.2511(2) 0.2154(2) 0.3653(3) 0.0271(11) Uani 1 1 d . . .
N7 N 0.2026(2) 0.3220(3) 0.4947(3) 0.0256(12) Uani 1 1 d . . .
N8 N 0.3059(2) 0.3604(2) 0.4400(3) 0.0235(11) Uani 1 1 d . . .
C1 C 0.2463(3) 0.1473(3) 1.0003(3) 0.0228(14) Uani 1 1 d . . .
C2 C 0.2765(3) 0.1064(3) 1.0544(4) 0.0297(15) Uani 1 1 d . . .
C3 C 0.3014(3) 0.0715(4) 1.0960(4) 0.0337(17) Uani 1 1 d . . .
C4 C 0.3313(3) 0.0296(4) 1.1473(5) 0.050(2) Uani 1 1 d . . .
H4 H 0.2933 0.0000 1.1692 0.060 Uiso 1 1 calc R . .
C5 C 0.3941(5) 0.0521(6) 1.1901(7) 0.094(5) Uani 1 1 d . . .
H5A H 0.4153 0.0968 1.1818 0.113 Uiso 1 1 calc R . .
H5B H 0.3927 0.0389 1.2373 0.113 Uiso 1 1 calc R . .
C6 C 0.4090(4) 0.0024(6) 1.1430(6) 0.083(4) Uani 1 1 d . . .
H6A H 0.4174 -0.0433 1.1594 0.100 Uiso 1 1 calc R . .
H6B H 0.4400 0.0146 1.1040 0.100 Uiso 1 1 calc R . .
C7 C 0.3703(3) 0.1447(3) 0.9513(4) 0.0292(15) Uani 1 1 d . . .
H7 H 0.3869 0.1363 0.9978 0.035 Uiso 1 1 calc R . .
C8 C 0.3784(4) 0.0815(4) 0.9121(6) 0.070(3) Uani 1 1 d . . .
H8A H 0.3463 0.0470 0.9317 0.105 Uiso 1 1 calc R . .
H8B H 0.4316 0.0671 0.9128 0.105 Uiso 1 1 calc R . .
H8C H 0.3625 0.0894 0.8662 0.105 Uiso 1 1 calc R . .
C9 C 0.4201(3) 0.1985(4) 0.9218(5) 0.049(2) Uani 1 1 d . . .
H9A H 0.4145 0.2394 0.9477 0.074 Uiso 1 1 calc R . .
H9B H 0.4046 0.2069 0.8760 0.074 Uiso 1 1 calc R . .
H9C H 0.4733 0.1842 0.9227 0.074 Uiso 1 1 calc R . .
C10 C 0.1250(3) 0.1441(3) 1.0545(3) 0.0293(15) Uani 1 1 d . . .
H10 H 0.1382 0.0983 1.0697 0.035 Uiso 1 1 calc R . .
C11 C 0.1388(4) 0.1922(4) 1.1117(4) 0.0405(17) Uani 1 1 d . . .
H11A H 0.1928 0.1914 1.1239 0.061 Uiso 1 1 calc R . .
H11B H 0.1080 0.1790 1.1499 0.061 Uiso 1 1 calc R . .
H11C H 0.1247 0.2372 1.0981 0.061 Uiso 1 1 calc R . .
C12 C 0.0413(3) 0.1453(4) 1.0350(4) 0.0428(19) Uani 1 1 d . . .
H12A H 0.0329 0.1144 0.9982 0.064 Uiso 1 1 calc R . .
H12B H 0.0272 0.1902 1.0212 0.064 Uiso 1 1 calc R . .
H12C H 0.0102 0.1319 1.0729 0.064 Uiso 1 1 calc R . .
C13 C 0.1664(5) 0.1370(4) 0.7384(4) 0.047(2) Uani 1 1 d . . .
H13 H 0.1871 0.1566 0.6996 0.057 Uiso 1 1 calc R . .
C14 C 0.2131(4) 0.0881(4) 0.7652(4) 0.0405(18) Uani 1 1 d . . .
H14 H 0.2603 0.0853 0.7425 0.049 Uiso 1 1 calc R . .
C15 C 0.2086(4) 0.0429(4) 0.8159(5) 0.045(2) Uani 1 1 d . . .
H15 H 0.2518 0.0148 0.8182 0.053 Uiso 1 1 calc R . .
C16 C 0.1540(4) 0.0286(3) 0.8658(5) 0.0472(19) Uani 1 1 d . . .
H16 H 0.1689 -0.0069 0.8940 0.057 Uiso 1 1 calc R . .
C17 C 0.0839(4) 0.0551(4) 0.8823(5) 0.048(2) Uani 1 1 d . . .
H17 H 0.0618 0.0337 0.9195 0.057 Uiso 1 1 calc R . .
C18 C 0.0370(3) 0.1066(4) 0.8569(5) 0.051(2) Uani 1 1 d . . .
H18 H -0.0088 0.1113 0.8813 0.061 Uiso 1 1 calc R . .
C19 C 0.0419(4) 0.1508(4) 0.8061(5) 0.048(2) Uani 1 1 d . . .
H19 H -0.0010 0.1794 0.8042 0.058 Uiso 1 1 calc R . .
C20 C 0.0944(4) 0.1643(5) 0.7562(4) 0.053(2) Uani 1 1 d . . .
H20 H 0.0788 0.1993 0.7278 0.064 Uiso 1 1 calc R . .
C21 C 0.2048(4) 0.3011(3) 0.8336(3) 0.0265(14) Uani 1 1 d . . .
C22 C 0.1812(3) 0.3537(3) 0.7888(4) 0.0335(16) Uani 1 1 d . . .
C23 C 0.1582(3) 0.3946(4) 0.7515(4) 0.0336(16) Uani 1 1 d . . .
C24 C 0.1249(4) 0.4445(4) 0.7085(4) 0.0392(18) Uani 1 1 d . . .
H24 H 0.1576 0.4622 0.6721 0.047 Uiso 1 1 calc R . .
C25 C 0.0418(4) 0.4391(4) 0.6951(5) 0.051(2) Uani 1 1 d . . .
H25A H 0.0234 0.4528 0.6509 0.061 Uiso 1 1 calc R . .
H25B H 0.0140 0.4014 0.7151 0.061 Uiso 1 1 calc R . .
C26 C 0.0704(4) 0.4917(4) 0.7401(5) 0.0422(19) Uani 1 1 d . . .
H26A H 0.0604 0.4866 0.7880 0.051 Uiso 1 1 calc R . .
H26B H 0.0697 0.5380 0.7238 0.051 Uiso 1 1 calc R . .
C27 C 0.1071(3) 0.3327(4) 0.9099(3) 0.0337(14) Uani 1 1 d . . .
H27 H 0.1162 0.3770 0.8891 0.040 Uiso 1 1 calc R . .
C28 C 0.1097(4) 0.3407(4) 0.9838(4) 0.0448(18) Uani 1 1 d . . .
H28A H 0.1600 0.3568 0.9970 0.067 Uiso 1 1 calc R . .
H28B H 0.0999 0.2977 1.0050 0.067 Uiso 1 1 calc R . .
H28C H 0.0709 0.3726 0.9977 0.067 Uiso 1 1 calc R . .
C29 C 0.0292(3) 0.3076(4) 0.8880(5) 0.054(2) Uani 1 1 d . . .
H29A H 0.0284 0.3030 0.8397 0.081 Uiso 1 1 calc R . .
H29B H -0.0099 0.3393 0.9018 0.081 Uiso 1 1 calc R . .
H29C H 0.0192 0.2644 0.9085 0.081 Uiso 1 1 calc R . .
C30 C 0.3108(4) 0.2787(4) 0.7613(4) 0.0374(16) Uani 1 1 d . . .
H30 H 0.2756 0.2918 0.7248 0.045 Uiso 1 1 calc R . .
C31 C 0.3566(4) 0.2186(4) 0.7394(4) 0.0413(18) Uani 1 1 d . . .
H31A H 0.3221 0.1815 0.7303 0.062 Uiso 1 1 calc R . .
H31B H 0.3921 0.2059 0.7747 0.062 Uiso 1 1 calc R . .
H31C H 0.3852 0.2295 0.6993 0.062 Uiso 1 1 calc R . .
C32 C 0.3650(4) 0.3364(5) 0.7755(4) 0.057(2) Uani 1 1 d . . .
H32A H 0.3356 0.3753 0.7894 0.086 Uiso 1 1 calc R . .
H32B H 0.3937 0.3471 0.7353 0.086 Uiso 1 1 calc R . .
H32C H 0.4003 0.3237 0.8107 0.086 Uiso 1 1 calc R . .
C33 C 0.3301(4) 0.3283(5) 1.0508(4) 0.055(2) Uani 1 1 d . . .
H33A H 0.3819 0.3122 1.0610 0.066 Uiso 1 1 calc R . .
H33B H 0.2928 0.2969 1.0699 0.066 Uiso 1 1 calc R . .
C34 C 0.3182(5) 0.3972(5) 1.0789(5) 0.063(3) Uani 1 1 d . . .
H34A H 0.2641 0.4050 1.0901 0.076 Uiso 1 1 calc R . .
H34B H 0.3496 0.4044 1.1189 0.076 Uiso 1 1 calc R . .
C35 C 0.3428(4) 0.4402(4) 1.0243(5) 0.056(2) Uani 1 1 d . . .
H35A H 0.3982 0.4485 1.0266 0.067 Uiso 1 1 calc R . .
H35B H 0.3159 0.4833 1.0257 0.067 Uiso 1 1 calc R . .
C36 C 0.3227(4) 0.4025(3) 0.9623(4) 0.0428(18) Uani 1 1 d . . .
H36A H 0.2729 0.4172 0.9450 0.051 Uiso 1 1 calc R . .
H36B H 0.3618 0.4095 0.9277 0.051 Uiso 1 1 calc R . .
O1 O 0.3198(2) 0.3335(2) 0.9814(2) 0.0400(10) Uani 1 1 d . . .
O2 O 0.2551(2) 0.1567(2) 0.5202(2) 0.0373(11) Uani 1 1 d . . .
Li2 Li 0.2134(6) 0.2237(5) 0.4664(6) 0.031(2) Uani 1 1 d . . .
Li1 Li 0.2808(6) 0.2666(6) 0.9266(7) 0.040(3) 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
Nd1 N3 2.549(5) . ?
Nd1 N2 2.555(5) . ?
Nd1 N1 2.603(4) . ?
Nd1 C14 2.684(7) . ?
Nd1 C18 2.701(6) . ?
Nd1 C19 2.702(6) . ?
Nd1 C17 2.709(7) . ?
Nd1 C15 2.709(7) . ?
Nd1 C20 2.720(7) . ?
Nd1 C16 2.724(7) . ?
Nd1 C13 2.724(7) . ?
Nd1 N4 2.771(5) . ?
Nd2 N8 2.557(5) . ?
Nd2 N6 2.570(4) . ?
Nd2 N7 2.622(5) . ?
Nd2 C53 2.686(7) . ?
Nd2 C54 2.687(7) . ?
Nd2 C57 2.690(6) . ?
Nd2 C60 2.697(7) . ?
Nd2 C59 2.707(7) . ?
Nd2 C55 2.710(8) . ?
Nd2 C58 2.715(6) . ?
Nd2 C56 2.721(6) . ?
Nd2 N5 2.745(5) . ?
C41 N5 1.326(7) . ?
C41 N6 1.333(6) . ?
C41 C42 1.457(9) . ?
C41 Li2 2.368(13) . ?
C42 C43 1.192(9) . ?
C43 C44 1.425(9) . ?
C44 C46 1.509(9) . ?
C44 C45 1.510(8) . ?
C45 C46 1.472(10) . ?
C47 N6 1.486(7) . ?
C47 C48 1.522(11) . ?
C47 C49 1.529(9) . ?
C50 N5 1.486(7) . ?
C50 C51 1.517(8) . ?
C50 C52 1.526(9) . ?
C53 C54 1.401(11) . ?
C53 C60 1.413(12) . ?
C54 C55 1.412(11) . ?
C55 C56 1.348(13) . ?
C56 C57 1.421(12) . ?
C57 C58 1.407(10) . ?
C58 C59 1.401(10) . ?
C59 C60 1.383(11) . ?
C61 N8 1.294(8) . ?
C61 N7 1.348(7) . ?
C61 C62 1.465(9) . ?
C62 C63 1.190(9) . ?
C63 C64 1.449(9) . ?
C64 C65 1.488(8) . ?
C64 C66 1.516(9) . ?
C65 C66 1.467(11) . ?
C67 N7 1.479(8) . ?
C67 C69 1.516(10) . ?
C67 C68 1.542(10) . ?
C70 N8 1.493(7) . ?
C70 C72 1.519(8) . ?
C70 C71 1.526(9) . ?
C73 O2 1.419(9) . ?
C73 C74 1.516(11) . ?
C74 C75 1.407(15) . ?
C75 C76 1.451(13) . ?
C76 O2 1.433(8) . ?
N1 C1 1.319(8) . ?
N1 C7 1.487(6) . ?
N1 Li1 2.048(13) . ?
N2 C1 1.331(7) . ?
N2 C10 1.466(8) . ?
N3 C21 1.315(8) . ?
N3 C27 1.470(7) . ?
N3 Li1 2.175(12) . ?
N4 C21 1.335(8) . ?
N4 C30 1.475(8) . ?
N4 Li1 2.152(14) . ?
N5 Li2 2.081(12) . ?
N6 Li2 2.154(12) . ?
N7 Li2 2.071(12) . ?
C1 C2 1.468(9) . ?
C2 C3 1.181(9) . ?
C3 C4 1.438(10) . ?
C4 C5 1.475(13) . ?
C4 C6 1.475(9) . ?
C5 C6 1.407(17) . ?
C7 C8 1.507(10) . ?
C7 C9 1.515(9) . ?
C10 C12 1.524(8) . ?
C10 C11 1.528(9) . ?
C13 C14 1.393(11) . ?
C13 C20 1.426(11) . ?
C14 C15 1.373(12) . ?
C15 C16 1.422(12) . ?
C16 C17 1.385(10) . ?
C17 C18 1.421(11) . ?
C18 C19 1.363(13) . ?
C19 C20 1.395(12) . ?
C21 C22 1.455(9) . ?
C21 Li1 2.409(14) . ?
C22 C23 1.189(9) . ?
C23 C24 1.451(10) . ?
C24 C25 1.490(9) . ?
C24 C26 1.494(10) . ?
C25 C26 1.483(11) . ?
C27 C28 1.503(10) . ?
C27 C29 1.526(9) . ?
C30 C31 1.522(10) . ?
C30 C32 1.530(11) . ?
C33 O1 1.417(9) . ?
C33 C34 1.516(13) . ?
C34 C35 1.469(13) . ?
C35 C36 1.506(12) . ?
C36 O1 1.444(8) . ?
O1 Li1 1.875(13) . ?
O2 Li2 1.884(12) . ?

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
N3 Nd1 N2 82.71(18) . . ?
N3 Nd1 N1 84.62(17) . . ?
N2 Nd1 N1 52.32(14) . . ?
N3 Nd1 C14 132.5(2) . . ?
N2 Nd1 C14 142.2(2) . . ?
N1 Nd1 C14 109.8(2) . . ?
N3 Nd1 C18 112.0(2) . . ?
N2 Nd1 C18 94.2(2) . . ?
N1 Nd1 C18 141.7(2) . . ?
C14 Nd1 C18 84.8(2) . . ?
N3 Nd1 C19 96.0(2) . . ?
N2 Nd1 C19 117.4(2) . . ?
N1 Nd1 C19 169.6(2) . . ?
C14 Nd1 C19 77.5(3) . . ?
C18 Nd1 C19 29.2(3) . . ?
N3 Nd1 C17 137.99(19) . . ?
N2 Nd1 C17 83.5(2) . . ?
N1 Nd1 C17 116.5(2) . . ?
C14 Nd1 C17 76.8(3) . . ?
C18 Nd1 C17 30.5(2) . . ?
C19 Nd1 C17 56.9(3) . . ?
N3 Nd1 C15 161.2(2) . . ?
N2 Nd1 C15 113.5(2) . . ?
N1 Nd1 C15 97.8(2) . . ?
C14 Nd1 C15 29.5(3) . . ?
C18 Nd1 C15 77.4(2) . . ?
C19 Nd1 C15 85.0(2) . . ?
C17 Nd1 C15 56.9(2) . . ?
N3 Nd1 C20 94.4(3) . . ?
N2 Nd1 C20 146.9(2) . . ?
N1 Nd1 C20 160.6(2) . . ?
C14 Nd1 C20 57.5(3) . . ?
C18 Nd1 C20 56.2(3) . . ?
C19 Nd1 C20 29.8(3) . . ?
C17 Nd1 C20 76.8(3) . . ?
C15 Nd1 C20 77.2(3) . . ?
N3 Nd1 C16 167.2(2) . . ?
N2 Nd1 C16 91.0(2) . . ?
N1 Nd1 C16 100.3(2) . . ?
C14 Nd1 C16 57.0(3) . . ?
C18 Nd1 C16 57.2(2) . . ?
C19 Nd1 C16 77.0(2) . . ?
C17 Nd1 C16 29.5(2) . . ?
C15 Nd1 C16 30.3(3) . . ?
C20 Nd1 C16 84.9(3) . . ?
N3 Nd1 C13 108.7(2) . . ?
N2 Nd1 C13 167.3(2) . . ?
N1 Nd1 C13 132.4(2) . . ?
C14 Nd1 C13 29.8(2) . . ?
C18 Nd1 C13 76.5(3) . . ?
C19 Nd1 C13 57.2(3) . . ?
C17 Nd1 C13 84.3(3) . . ?
C15 Nd1 C13 56.4(3) . . ?
C20 Nd1 C13 30.4(2) . . ?
C16 Nd1 C13 76.8(3) . . ?
N3 Nd1 N4 49.78(16) . . ?
N2 Nd1 N4 112.77(17) . . ?
N1 Nd1 N4 75.56(16) . . ?
C14 Nd1 N4 89.1(2) . . ?
C18 Nd1 N4 141.7(2) . . ?
C19 Nd1 N4 112.7(2) . . ?
C17 Nd1 N4 163.8(2) . . ?
C15 Nd1 N4 112.7(2) . . ?
C20 Nd1 N4 88.9(2) . . ?
C16 Nd1 N4 142.8(2) . . ?
C13 Nd1 N4 79.5(2) . . ?
N8 Nd2 N6 83.92(15) . . ?
N8 Nd2 N7 51.84(15) . . ?
N6 Nd2 N7 84.50(19) . . ?
N8 Nd2 C53 101.7(2) . . ?
N6 Nd2 C53 100.5(2) . . ?
N7 Nd2 C53 152.8(2) . . ?
N8 Nd2 C54 128.9(2) . . ?
N6 Nd2 C54 89.6(2) . . ?
N7 Nd2 C54 173.9(2) . . ?
C53 Nd2 C54 30.2(2) . . ?
N8 Nd2 C57 130.0(2) . . ?
N6 Nd2 C57 143.96(19) . . ?
N7 Nd2 C57 106.2(2) . . ?
C53 Nd2 C57 85.5(2) . . ?
C54 Nd2 C57 77.9(3) . . ?
N8 Nd2 C60 85.45(19) . . ?
N6 Nd2 C60 124.4(2) . . ?
N7 Nd2 C60 127.4(2) . . ?
C53 Nd2 C60 30.4(3) . . ?
C54 Nd2 C60 57.5(3) . . ?
C57 Nd2 C60 76.5(2) . . ?
N8 Nd2 C59 85.76(19) . . ?
N6 Nd2 C59 153.1(2) . . ?
N7 Nd2 C59 108.2(2) . . ?
C53 Nd2 C59 57.5(3) . . ?
C54 Nd2 C59 77.8(3) . . ?
C57 Nd2 C59 56.6(2) . . ?
C60 Nd2 C59 29.7(2) . . ?
N8 Nd2 C55 158.8(2) . . ?
N6 Nd2 C55 96.8(2) . . ?
N7 Nd2 C55 149.3(2) . . ?
C53 Nd2 C55 57.2(3) . . ?
C54 Nd2 C55 30.3(3) . . ?
C57 Nd2 C55 56.6(3) . . ?
C60 Nd2 C55 76.7(2) . . ?
C59 Nd2 C55 84.2(2) . . ?
N8 Nd2 C58 102.2(2) . . ?
N6 Nd2 C58 173.87(19) . . ?
N7 Nd2 C58 99.0(2) . . ?
C53 Nd2 C58 78.7(3) . . ?
C54 Nd2 C58 86.8(3) . . ?
C57 Nd2 C58 30.2(2) . . ?
C60 Nd2 C58 57.1(2) . . ?
C59 Nd2 C58 29.9(2) . . ?
C55 Nd2 C58 77.6(3) . . ?
N8 Nd2 C56 159.9(2) . . ?
N6 Nd2 C56 116.1(2) . . ?
N7 Nd2 C56 125.3(2) . . ?
C53 Nd2 C56 76.7(3) . . ?
C54 Nd2 C56 56.6(3) . . ?
C57 Nd2 C56 30.4(3) . . ?
C60 Nd2 C56 83.7(2) . . ?
C59 Nd2 C56 76.5(2) . . ?
C55 Nd2 C56 28.7(3) . . ?
C58 Nd2 C56 57.8(3) . . ?
N8 Nd2 N5 112.78(15) . . ?
N6 Nd2 N5 49.82(14) . . ?
N7 Nd2 N5 74.80(16) . . ?
C53 Nd2 N5 128.6(2) . . ?
C54 Nd2 N5 100.4(2) . . ?
C57 Nd2 N5 98.94(18) . . ?
C60 Nd2 N5 157.8(2) . . ?
C59 Nd2 N5 155.45(17) . . ?
C55 Nd2 N5 82.7(2) . . ?
C58 Nd2 N5 126.15(17) . . ?
C56 Nd2 N5 82.10(19) . . ?
N5 C41 N6 115.1(5) . . ?
N5 C41 C42 122.5(5) . . ?
N6 C41 C42 122.2(5) . . ?
N5 C41 Li2 61.1(4) . . ?
N6 C41 Li2 64.2(5) . . ?
C42 C41 Li2 152.1(5) . . ?
N5 C41 Nd2 68.3(3) . . ?
N6 C41 Nd2 60.8(3) . . ?
C42 C41 Nd2 139.8(4) . . ?
Li2 C41 Nd2 68.1(3) . . ?
C43 C42 C41 175.5(6) . . ?
C42 C43 C44 177.9(8) . . ?
C43 C44 C46 119.4(6) . . ?
C43 C44 C45 119.3(5) . . ?
C46 C44 C45 58.4(4) . . ?
C46 C45 C44 60.8(4) . . ?
C45 C46 C44 60.8(4) . . ?
N6 C47 C48 112.6(6) . . ?
N6 C47 C49 108.0(6) . . ?
C48 C47 C49 111.0(6) . . ?
N5 C50 C51 110.0(5) . . ?
N5 C50 C52 109.9(5) . . ?
C51 C50 C52 110.5(5) . . ?
C54 C53 C60 133.9(7) . . ?
C54 C53 Nd2 74.9(4) . . ?
C60 C53 Nd2 75.2(4) . . ?
C53 C54 C55 133.5(8) . . ?
C53 C54 Nd2 74.8(4) . . ?
C55 C54 Nd2 75.7(4) . . ?
C56 C55 C54 136.4(8) . . ?
C56 C55 Nd2 76.1(5) . . ?
C54 C55 Nd2 73.9(4) . . ?
C55 C56 C57 135.3(7) . . ?
C55 C56 Nd2 75.2(4) . . ?
C57 C56 Nd2 73.6(4) . . ?
C58 C57 C56 136.4(7) . . ?
C58 C57 Nd2 75.9(3) . . ?
C56 C57 Nd2 76.0(4) . . ?
C59 C58 C57 131.3(8) . . ?
C59 C58 Nd2 74.7(4) . . ?
C57 C58 Nd2 73.9(4) . . ?
C60 C59 C58 136.6(7) . . ?
C60 C59 Nd2 74.8(4) . . ?
C58 C59 Nd2 75.4(4) . . ?
C59 C60 C53 136.4(7) . . ?
C59 C60 Nd2 75.6(4) . . ?
C53 C60 Nd2 74.4(4) . . ?
N8 C61 N7 117.9(6) . . ?
N8 C61 C62 121.7(5) . . ?
N7 C61 C62 120.4(6) . . ?
N8 C61 Nd2 60.0(3) . . ?
N7 C61 Nd2 62.9(3) . . ?
C62 C61 Nd2 157.7(4) . . ?
C63 C62 C61 173.3(7) . . ?
C62 C63 C64 176.9(7) . . ?
C63 C64 C65 121.1(6) . . ?
C63 C64 C66 117.8(6) . . ?
C65 C64 C66 58.4(5) . . ?
C66 C65 C64 61.7(4) . . ?
C65 C66 C64 59.8(5) . . ?
N7 C67 C69 110.1(6) . . ?
N7 C67 C68 110.7(6) . . ?
C69 C67 C68 110.6(5) . . ?
N8 C70 C72 113.3(5) . . ?
N8 C70 C71 108.3(5) . . ?
C72 C70 C71 110.7(6) . . ?
O2 C73 C74 106.1(7) . . ?
C75 C74 C73 104.6(9) . . ?
C74 C75 C76 109.6(8) . . ?
O2 C76 C75 106.6(8) . . ?
C1 N1 C7 117.2(5) . . ?
C1 N1 Li1 116.8(6) . . ?
C7 N1 Li1 112.7(5) . . ?
C1 N1 Nd1 89.8(3) . . ?
C7 N1 Nd1 135.4(4) . . ?
Li1 N1 Nd1 80.0(4) . . ?
C1 N2 C10 118.2(5) . . ?
C1 N2 Nd1 91.7(4) . . ?
C10 N2 Nd1 144.1(4) . . ?
C21 N3 C27 118.5(5) . . ?
C21 N3 Li1 83.4(5) . . ?
C27 N3 Li1 132.6(6) . . ?
C21 N3 Nd1 93.6(4) . . ?
C27 N3 Nd1 134.2(4) . . ?
Li1 N3 Nd1 79.0(4) . . ?
C21 N4 C30 118.1(5) . . ?
C21 N4 Li1 83.9(5) . . ?
C30 N4 Li1 137.6(5) . . ?
C21 N4 Nd1 83.7(4) . . ?
C30 N4 Nd1 139.0(4) . . ?
Li1 N4 Nd1 74.5(4) . . ?
C41 N5 C50 117.0(5) . . ?
C41 N5 Li2 85.0(4) . . ?
C50 N5 Li2 135.9(5) . . ?
C41 N5 Nd2 85.0(3) . . ?
C50 N5 Nd2 139.3(4) . . ?
Li2 N5 Nd2 75.8(3) . . ?
C41 N6 C47 118.8(5) . . ?
C41 N6 Li2 81.9(5) . . ?
C47 N6 Li2 133.9(5) . . ?
C41 N6 Nd2 92.3(3) . . ?
C47 N6 Nd2 134.8(4) . . ?
Li2 N6 Nd2 78.6(3) . . ?
C61 N7 C67 118.1(5) . . ?
C61 N7 Li2 117.0(5) . . ?
C67 N7 Li2 113.9(5) . . ?
C61 N7 Nd2 89.9(4) . . ?
C67 N7 Nd2 133.2(4) . . ?
Li2 N7 Nd2 78.8(4) . . ?
C61 N8 C70 118.8(5) . . ?
C61 N8 Nd2 94.0(3) . . ?
C70 N8 Nd2 141.4(4) . . ?
N1 C1 N2 118.3(6) . . ?
N1 C1 C2 121.4(5) . . ?
N2 C1 C2 120.2(6) . . ?
N1 C1 Nd1 63.3(3) . . ?
N2 C1 Nd1 61.2(3) . . ?
C2 C1 Nd1 151.9(4) . . ?
C3 C2 C1 177.2(8) . . ?
C2 C3 C4 179.2(9) . . ?
C3 C4 C5 121.1(7) . . ?
C3 C4 C6 121.0(7) . . ?
C5 C4 C6 57.0(7) . . ?
C6 C5 C4 61.5(7) . . ?
C5 C6 C4 61.5(6) . . ?
N1 C7 C8 111.5(5) . . ?
N1 C7 C9 108.6(5) . . ?
C8 C7 C9 110.2(7) . . ?
N2 C10 C12 109.8(5) . . ?
N2 C10 C11 111.6(5) . . ?
C12 C10 C11 109.9(5) . . ?
C14 C13 C20 134.4(8) . . ?
C14 C13 Nd1 73.5(4) . . ?
C20 C13 Nd1 74.6(4) . . ?
C15 C14 C13 136.4(7) . . ?
C15 C14 Nd1 76.2(4) . . ?
C13 C14 Nd1 76.7(4) . . ?
C14 C15 C16 134.7(7) . . ?
C14 C15 Nd1 74.3(4) . . ?
C16 C15 Nd1 75.4(4) . . ?
C17 C16 C15 133.9(8) . . ?
C17 C16 Nd1 74.6(4) . . ?
C15 C16 Nd1 74.3(4) . . ?
C16 C17 C18 135.4(8) . . ?
C16 C17 Nd1 75.8(4) . . ?
C18 C17 Nd1 74.5(4) . . ?
C19 C18 C17 135.5(8) . . ?
C19 C18 Nd1 75.4(4) . . ?
C17 C18 Nd1 75.1(3) . . ?
C18 C19 C20 135.6(8) . . ?
C18 C19 Nd1 75.4(4) . . ?
C20 C19 Nd1 75.8(4) . . ?
C19 C20 C13 134.0(9) . . ?
C19 C20 Nd1 74.4(4) . . ?
C13 C20 Nd1 75.0(4) . . ?
N3 C21 N4 116.1(6) . . ?
N3 C21 C22 122.5(6) . . ?
N4 C21 C22 121.5(6) . . ?
N3 C21 Li1 63.7(5) . . ?
N4 C21 Li1 62.6(4) . . ?
C22 C21 Li1 148.6(5) . . ?
N3 C21 Nd1 59.9(3) . . ?
N4 C21 Nd1 69.5(3) . . ?
C22 C21 Nd1 143.4(4) . . ?
Li1 C21 Nd1 67.9(3) . . ?
C23 C22 C21 176.2(7) . . ?
C22 C23 C24 175.8(7) . . ?
C23 C24 C25 117.1(7) . . ?
C23 C24 C26 116.4(7) . . ?
C25 C24 C26 59.6(5) . . ?
C26 C25 C24 60.3(5) . . ?
C25 C26 C24 60.1(5) . . ?
N3 C27 C28 109.8(6) . . ?
N3 C27 C29 111.0(6) . . ?
C28 C27 C29 110.5(6) . . ?
N4 C30 C31 111.0(6) . . ?
N4 C30 C32 109.8(6) . . ?
C31 C30 C32 109.3(6) . . ?
O1 C33 C34 106.6(7) . . ?
C35 C34 C33 102.6(7) . . ?
C34 C35 C36 104.9(6) . . ?
O1 C36 C35 105.9(6) . . ?
C33 O1 C36 109.3(6) . . ?
C33 O1 Li1 125.3(6) . . ?
C36 O1 Li1 123.2(6) . . ?
C73 O2 C76 109.2(6) . . ?
C73 O2 Li2 128.8(6) . . ?
C76 O2 Li2 119.6(6) . . ?
O2 Li2 N7 124.2(6) . . ?
O2 Li2 N5 126.5(6) . . ?
N7 Li2 N5 103.5(5) . . ?
O2 Li2 N6 111.9(5) . . ?
N7 Li2 N6 111.4(5) . . ?
N5 Li2 N6 64.0(4) . . ?
O2 Li2 C41 113.2(5) . . ?
N7 Li2 C41 122.4(5) . . ?
N5 Li2 C41 33.9(2) . . ?
N6 Li2 C41 33.9(2) . . ?
O2 Li2 Nd2 163.5(5) . . ?
N7 Li2 Nd2 58.7(3) . . ?
N5 Li2 Nd2 62.1(3) . . ?
N6 Li2 Nd2 56.8(3) . . ?
C41 Li2 Nd2 65.1(3) . . ?
O1 Li1 N1 121.1(7) . . ?
O1 Li1 N4 130.6(7) . . ?
N1 Li1 N4 103.4(6) . . ?
O1 Li1 N3 114.0(6) . . ?
N1 Li1 N3 110.4(5) . . ?
N4 Li1 N3 62.6(4) . . ?
O1 Li1 C21 117.2(6) . . ?
N1 Li1 C21 121.2(6) . . ?
N4 Li1 C21 33.4(3) . . ?
N3 Li1 C21 32.8(3) . . ?
O1 Li1 Nd1 161.1(7) . . ?
N1 Li1 Nd1 58.1(3) . . ?
N4 Li1 Nd1 62.2(3) . . ?
N3 Li1 Nd1 56.0(3) . . ?
C21 Li1 Nd1 64.5(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N8 Nd2 C41 N5 106.8(3) . . . . ?
N6 Nd2 C41 N5 138.2(6) . . . . ?
N7 Nd2 C41 N5 57.6(3) . . . . ?
C53 Nd2 C41 N5 -144.3(4) . . . . ?
C54 Nd2 C41 N5 -123.9(4) . . . . ?
C57 Nd2 C41 N5 -50.0(4) . . . . ?
C60 Nd2 C41 N5 -150.6(4) . . . . ?
C59 Nd2 C41 N5 -114.8(7) . . . . ?
C55 Nd2 C41 N5 -93.8(4) . . . . ?
C58 Nd2 C41 N5 -47.1(6) . . . . ?
C56 Nd2 C41 N5 -67.6(4) . . . . ?
N8 Nd2 C41 N6 -31.5(4) . . . . ?
N7 Nd2 C41 N6 -80.6(4) . . . . ?
C53 Nd2 C41 N6 77.5(5) . . . . ?
C54 Nd2 C41 N6 97.9(4) . . . . ?
C57 Nd2 C41 N6 171.8(4) . . . . ?
C60 Nd2 C41 N6 71.2(5) . . . . ?
C59 Nd2 C41 N6 107.0(7) . . . . ?
C55 Nd2 C41 N6 128.0(5) . . . . ?
C58 Nd2 C41 N6 174.7(5) . . . . ?
C56 Nd2 C41 N6 154.2(5) . . . . ?
N5 Nd2 C41 N6 -138.2(6) . . . . ?
N8 Nd2 C41 C42 -138.0(6) . . . . ?
N6 Nd2 C41 C42 -106.5(8) . . . . ?
N7 Nd2 C41 C42 172.9(6) . . . . ?
C53 Nd2 C41 C42 -29.1(6) . . . . ?
C54 Nd2 C41 C42 -8.6(6) . . . . ?
C57 Nd2 C41 C42 65.3(6) . . . . ?
C60 Nd2 C41 C42 -35.4(7) . . . . ?
C59 Nd2 C41 C42 0.5(10) . . . . ?
C55 Nd2 C41 C42 21.5(6) . . . . ?
C58 Nd2 C41 C42 68.2(8) . . . . ?
C56 Nd2 C41 C42 47.6(6) . . . . ?
N5 Nd2 C41 C42 115.3(7) . . . . ?
N8 Nd2 C41 Li2 40.4(3) . . . . ?
N6 Nd2 C41 Li2 71.8(5) . . . . ?
N7 Nd2 C41 Li2 -8.8(3) . . . . ?
C53 Nd2 C41 Li2 149.3(3) . . . . ?
C54 Nd2 C41 Li2 169.8(3) . . . . ?
C57 Nd2 C41 Li2 -116.3(4) . . . . ?
C60 Nd2 C41 Li2 143.0(4) . . . . ?
C59 Nd2 C41 Li2 178.8(6) . . . . ?
C55 Nd2 C41 Li2 -160.2(4) . . . . ?
C58 Nd2 C41 Li2 -113.5(5) . . . . ?
C56 Nd2 C41 Li2 -134.0(4) . . . . ?
N5 Nd2 C41 Li2 -66.4(4) . . . . ?
N5 C41 C42 C43 43(10) . . . . ?
N6 C41 C42 C43 -133(9) . . . . ?
Li2 C41 C42 C43 132(9) . . . . ?
Nd2 C41 C42 C43 -52(10) . . . . ?
C41 C42 C43 C44 -94(21) . . . . ?
C42 C43 C44 C46 8(19) . . . . ?
C42 C43 C44 C45 76(19) . . . . ?
C43 C44 C45 C46 -108.3(8) . . . . ?
C43 C44 C46 C45 108.3(7) . . . . ?
N8 Nd2 C53 C54 156.5(4) . . . . ?
N6 Nd2 C53 C54 70.6(5) . . . . ?
N7 Nd2 C53 C54 169.0(4) . . . . ?
C57 Nd2 C53 C54 -73.6(5) . . . . ?
C60 Nd2 C53 C54 -144.4(7) . . . . ?
C59 Nd2 C53 C54 -126.3(5) . . . . ?
C55 Nd2 C53 C54 -20.8(4) . . . . ?
C58 Nd2 C53 C54 -103.3(5) . . . . ?
C56 Nd2 C53 C54 -44.0(5) . . . . ?
N5 Nd2 C53 C54 24.3(5) . . . . ?
N8 Nd2 C53 C60 -59.1(4) . . . . ?
N6 Nd2 C53 C60 -145.0(4) . . . . ?
N7 Nd2 C53 C60 -46.5(7) . . . . ?
C54 Nd2 C53 C60 144.4(7) . . . . ?
C57 Nd2 C53 C60 70.9(4) . . . . ?
C59 Nd2 C53 C60 18.1(4) . . . . ?
C55 Nd2 C53 C60 123.6(5) . . . . ?
C58 Nd2 C53 C60 41.2(4) . . . . ?
C56 Nd2 C53 C60 100.4(5) . . . . ?
N5 Nd2 C53 C60 168.7(4) . . . . ?
C60 C53 C54 C55 1.1(15) . . . . ?
Nd2 C53 C54 C55 52.4(9) . . . . ?
C60 C53 C54 Nd2 -51.3(9) . . . . ?
N8 Nd2 C54 C53 -30.2(5) . . . . ?
N6 Nd2 C54 C53 -112.0(4) . . . . ?
N7 Nd2 C54 C53 -124.5(18) . . . . ?
C57 Nd2 C54 C53 102.1(5) . . . . ?
C60 Nd2 C54 C53 20.4(4) . . . . ?
C59 Nd2 C54 C53 44.1(4) . . . . ?
C55 Nd2 C54 C53 143.7(7) . . . . ?
C58 Nd2 C54 C53 72.9(5) . . . . ?
C56 Nd2 C54 C53 125.8(5) . . . . ?
N5 Nd2 C54 C53 -160.9(4) . . . . ?
N8 Nd2 C54 C55 -173.8(4) . . . . ?
N6 Nd2 C54 C55 104.4(5) . . . . ?
N7 Nd2 C54 C55 91.9(19) . . . . ?
C53 Nd2 C54 C55 -143.7(7) . . . . ?
C57 Nd2 C54 C55 -41.6(5) . . . . ?
C60 Nd2 C54 C55 -123.2(6) . . . . ?
C59 Nd2 C54 C55 -99.6(5) . . . . ?
C58 Nd2 C54 C55 -70.7(5) . . . . ?
C56 Nd2 C54 C55 -17.8(5) . . . . ?
N5 Nd2 C54 C55 55.4(5) . . . . ?
C53 C54 C55 C56 -3.8(17) . . . . ?
Nd2 C54 C55 C56 48.3(10) . . . . ?
C53 C54 C55 Nd2 -52.1(8) . . . . ?
N8 Nd2 C55 C56 -134.5(6) . . . . ?
N6 Nd2 C55 C56 134.7(5) . . . . ?
N7 Nd2 C55 C56 44.0(7) . . . . ?
C53 Nd2 C55 C56 -127.2(6) . . . . ?
C54 Nd2 C55 C56 -147.9(8) . . . . ?
C57 Nd2 C55 C56 -18.9(5) . . . . ?
C60 Nd2 C55 C56 -101.5(5) . . . . ?
C59 Nd2 C55 C56 -72.3(5) . . . . ?
C58 Nd2 C55 C56 -42.7(5) . . . . ?
N5 Nd2 C55 C56 86.8(5) . . . . ?
N8 Nd2 C55 C54 13.4(9) . . . . ?
N6 Nd2 C55 C54 -77.3(5) . . . . ?
N7 Nd2 C55 C54 -168.1(4) . . . . ?
C53 Nd2 C55 C54 20.8(5) . . . . ?
C57 Nd2 C55 C54 129.0(6) . . . . ?
C60 Nd2 C55 C54 46.5(5) . . . . ?
C59 Nd2 C55 C54 75.6(5) . . . . ?
C58 Nd2 C55 C54 105.2(5) . . . . ?
C56 Nd2 C55 C54 147.9(8) . . . . ?
N5 Nd2 C55 C54 -125.2(5) . . . . ?
C54 C55 C56 C57 -0.9(18) . . . . ?
Nd2 C55 C56 C57 46.8(9) . . . . ?
C54 C55 C56 Nd2 -47.7(10) . . . . ?
N8 Nd2 C56 C55 131.3(7) . . . . ?
N6 Nd2 C56 C55 -51.8(6) . . . . ?
N7 Nd2 C56 C55 -154.3(5) . . . . ?
C53 Nd2 C56 C55 43.5(5) . . . . ?
C54 Nd2 C56 C55 18.7(5) . . . . ?
C57 Nd2 C56 C55 147.7(8) . . . . ?
C60 Nd2 C56 C55 73.6(5) . . . . ?
C59 Nd2 C56 C55 102.8(5) . . . . ?
C58 Nd2 C56 C55 128.4(6) . . . . ?
N5 Nd2 C56 C55 -89.3(5) . . . . ?
N8 Nd2 C56 C57 -16.3(10) . . . . ?
N6 Nd2 C56 C57 160.6(4) . . . . ?
N7 Nd2 C56 C57 58.1(5) . . . . ?
C53 Nd2 C56 C57 -104.1(5) . . . . ?
C54 Nd2 C56 C57 -128.9(5) . . . . ?
C60 Nd2 C56 C57 -74.1(5) . . . . ?
C59 Nd2 C56 C57 -44.8(5) . . . . ?
C55 Nd2 C56 C57 -147.7(8) . . . . ?
C58 Nd2 C56 C57 -19.3(4) . . . . ?
N5 Nd2 C56 C57 123.1(5) . . . . ?
C55 C56 C57 C58 4.0(16) . . . . ?
Nd2 C56 C57 C58 51.3(9) . . . . ?
C55 C56 C57 Nd2 -47.3(10) . . . . ?
N8 Nd2 C57 C58 26.5(6) . . . . ?
N6 Nd2 C57 C58 -176.8(5) . . . . ?
N7 Nd2 C57 C58 79.9(5) . . . . ?
C53 Nd2 C57 C58 -75.1(5) . . . . ?
C54 Nd2 C57 C58 -104.7(5) . . . . ?
C60 Nd2 C57 C58 -45.6(5) . . . . ?
C59 Nd2 C57 C58 -21.5(5) . . . . ?
C55 Nd2 C57 C58 -128.3(6) . . . . ?
C56 Nd2 C57 C58 -146.3(8) . . . . ?
N5 Nd2 C57 C58 156.6(5) . . . . ?
N8 Nd2 C57 C56 172.8(4) . . . . ?
N6 Nd2 C57 C56 -30.5(7) . . . . ?
N7 Nd2 C57 C56 -133.8(5) . . . . ?
C53 Nd2 C57 C56 71.2(5) . . . . ?
C54 Nd2 C57 C56 41.6(5) . . . . ?
C60 Nd2 C57 C56 100.7(5) . . . . ?
C59 Nd2 C57 C56 124.8(6) . . . . ?
C55 Nd2 C57 C56 17.9(5) . . . . ?
C58 Nd2 C57 C56 146.3(8) . . . . ?
N5 Nd2 C57 C56 -57.2(5) . . . . ?
C56 C57 C58 C59 0.4(15) . . . . ?
Nd2 C57 C58 C59 51.8(8) . . . . ?
C56 C57 C58 Nd2 -51.3(9) . . . . ?
N8 Nd2 C58 C59 58.2(5) . . . . ?
N6 Nd2 C58 C59 -124(2) . . . . ?
N7 Nd2 C58 C59 110.9(5) . . . . ?
C53 Nd2 C58 C59 -41.5(5) . . . . ?
C54 Nd2 C58 C59 -70.9(5) . . . . ?
C57 Nd2 C58 C59 -142.3(8) . . . . ?
C60 Nd2 C58 C59 -18.1(5) . . . . ?
C55 Nd2 C58 C59 -100.1(5) . . . . ?
C56 Nd2 C58 C59 -122.8(6) . . . . ?
N5 Nd2 C58 C59 -171.4(4) . . . . ?
N8 Nd2 C58 C57 -159.5(5) . . . . ?
N6 Nd2 C58 C57 18(2) . . . . ?
N7 Nd2 C58 C57 -106.8(5) . . . . ?
C53 Nd2 C58 C57 100.7(5) . . . . ?
C54 Nd2 C58 C57 71.4(5) . . . . ?
C60 Nd2 C58 C57 124.2(6) . . . . ?
C59 Nd2 C58 C57 142.3(8) . . . . ?
C55 Nd2 C58 C57 42.1(5) . . . . ?
C56 Nd2 C58 C57 19.4(5) . . . . ?
N5 Nd2 C58 C57 -29.1(6) . . . . ?
C57 C58 C59 C60 -3.7(15) . . . . ?
Nd2 C58 C59 C60 47.8(9) . . . . ?
C57 C58 C59 Nd2 -51.5(8) . . . . ?
N8 Nd2 C59 C60 88.2(4) . . . . ?
N6 Nd2 C59 C60 20.6(7) . . . . ?
N7 Nd2 C59 C60 135.7(4) . . . . ?
C53 Nd2 C59 C60 -18.5(4) . . . . ?
C54 Nd2 C59 C60 -43.1(4) . . . . ?
C57 Nd2 C59 C60 -126.5(5) . . . . ?
C55 Nd2 C59 C60 -73.1(5) . . . . ?
C58 Nd2 C59 C60 -148.2(7) . . . . ?
C56 Nd2 C59 C60 -101.2(5) . . . . ?
N5 Nd2 C59 C60 -131.2(5) . . . . ?
N8 Nd2 C59 C58 -123.6(5) . . . . ?
N6 Nd2 C59 C58 168.8(5) . . . . ?
N7 Nd2 C59 C58 -76.2(5) . . . . ?
C53 Nd2 C59 C58 129.6(5) . . . . ?
C54 Nd2 C59 C58 105.1(5) . . . . ?
C57 Nd2 C59 C58 21.6(5) . . . . ?
C60 Nd2 C59 C58 148.2(7) . . . . ?
C55 Nd2 C59 C58 75.1(5) . . . . ?
C56 Nd2 C59 C58 47.0(5) . . . . ?
N5 Nd2 C59 C58 17.0(8) . . . . ?
C58 C59 C60 C53 -0.3(16) . . . . ?
Nd2 C59 C60 C53 47.7(9) . . . . ?
C58 C59 C60 Nd2 -48.0(9) . . . . ?
C54 C53 C60 C59 3.1(16) . . . . ?
Nd2 C53 C60 C59 -48.0(9) . . . . ?
C54 C53 C60 Nd2 51.2(9) . . . . ?
N8 Nd2 C60 C59 -89.4(4) . . . . ?
N6 Nd2 C60 C59 -168.9(4) . . . . ?
N7 Nd2 C60 C59 -56.7(5) . . . . ?
C53 Nd2 C60 C59 148.0(7) . . . . ?
C54 Nd2 C60 C59 127.7(5) . . . . ?
C57 Nd2 C60 C59 43.6(4) . . . . ?
C55 Nd2 C60 C59 102.0(5) . . . . ?
C58 Nd2 C60 C59 18.3(4) . . . . ?
C56 Nd2 C60 C59 73.7(5) . . . . ?
N5 Nd2 C60 C59 124.2(6) . . . . ?
N8 Nd2 C60 C53 122.6(4) . . . . ?
N6 Nd2 C60 C53 43.1(5) . . . . ?
N7 Nd2 C60 C53 155.3(4) . . . . ?
C54 Nd2 C60 C53 -20.3(4) . . . . ?
C57 Nd2 C60 C53 -104.4(5) . . . . ?
C59 Nd2 C60 C53 -148.0(7) . . . . ?
C55 Nd2 C60 C53 -46.1(4) . . . . ?
C58 Nd2 C60 C53 -129.7(5) . . . . ?
C56 Nd2 C60 C53 -74.4(5) . . . . ?
N5 Nd2 C60 C53 -23.8(8) . . . . ?
N6 Nd2 C61 N8 76.4(4) . . . . ?
N7 Nd2 C61 N8 154.6(6) . . . . ?
C53 Nd2 C61 N8 -26.4(5) . . . . ?
C54 Nd2 C61 N8 -12.3(7) . . . . ?
C57 Nd2 C61 N8 -130.1(4) . . . . ?
C60 Nd2 C61 N8 -49.0(4) . . . . ?
C59 Nd2 C61 N8 -76.7(4) . . . . ?
C55 Nd2 C61 N8 -135.0(16) . . . . ?
C58 Nd2 C61 N8 -106.5(4) . . . . ?
C56 Nd2 C61 N8 -146.0(4) . . . . ?
N5 Nd2 C61 N8 125.6(4) . . . . ?
N8 Nd2 C61 N7 -154.6(6) . . . . ?
N6 Nd2 C61 N7 -78.3(4) . . . . ?
C53 Nd2 C61 N7 178.9(4) . . . . ?
C54 Nd2 C61 N7 -166.9(5) . . . . ?
C57 Nd2 C61 N7 75.3(4) . . . . ?
C60 Nd2 C61 N7 156.3(4) . . . . ?
C59 Nd2 C61 N7 128.6(4) . . . . ?
C55 Nd2 C61 N7 70.4(17) . . . . ?
C58 Nd2 C61 N7 98.9(4) . . . . ?
C56 Nd2 C61 N7 59.3(5) . . . . ?
N5 Nd2 C61 N7 -29.0(4) . . . . ?
N8 Nd2 C61 C62 101.0(12) . . . . ?
N6 Nd2 C61 C62 177.4(11) . . . . ?
N7 Nd2 C61 C62 -104.3(12) . . . . ?
C53 Nd2 C61 C62 74.6(12) . . . . ?
C54 Nd2 C61 C62 88.7(12) . . . . ?
C57 Nd2 C61 C62 -29.1(12) . . . . ?
C60 Nd2 C61 C62 52.0(11) . . . . ?
C59 Nd2 C61 C62 24.3(11) . . . . ?
C55 Nd2 C61 C62 -34(2) . . . . ?
C58 Nd2 C61 C62 -5.5(11) . . . . ?
C56 Nd2 C61 C62 -45.0(13) . . . . ?
N5 Nd2 C61 C62 -133.4(11) . . . . ?
N8 C61 C62 C63 50(5) . . . . ?
N7 C61 C62 C63 -130(5) . . . . ?
Nd2 C61 C62 C63 -37(6) . . . . ?
C61 C62 C63 C64 17(15) . . . . ?
C62 C63 C64 C65 -123(11) . . . . ?
C62 C63 C64 C66 -55(12) . . . . ?
C63 C64 C65 C66 105.6(8) . . . . ?
C63 C64 C66 C65 -111.2(7) . . . . ?
O2 C73 C74 C75 19.7(15) . . . . ?
C73 C74 C75 C76 -18.7(17) . . . . ?
C74 C75 C76 O2 10.9(16) . . . . ?
N3 Nd1 N1 C1 100.7(4) . . . . ?
N2 Nd1 N1 C1 15.7(3) . . . . ?
C14 Nd1 N1 C1 -125.9(4) . . . . ?
C18 Nd1 N1 C1 -18.6(5) . . . . ?
C19 Nd1 N1 C1 6.8(14) . . . . ?
C17 Nd1 N1 C1 -41.2(4) . . . . ?
C15 Nd1 N1 C1 -98.1(4) . . . . ?
C20 Nd1 N1 C1 -171.5(7) . . . . ?
C16 Nd1 N1 C1 -67.4(4) . . . . ?
C13 Nd1 N1 C1 -148.9(4) . . . . ?
N4 Nd1 N1 C1 150.4(4) . . . . ?
N3 Nd1 N1 C7 -128.9(5) . . . . ?
N2 Nd1 N1 C7 146.1(6) . . . . ?
C14 Nd1 N1 C7 4.5(6) . . . . ?
C18 Nd1 N1 C7 111.8(6) . . . . ?
C19 Nd1 N1 C7 137.2(11) . . . . ?
C17 Nd1 N1 C7 89.2(5) . . . . ?
C15 Nd1 N1 C7 32.3(6) . . . . ?
C20 Nd1 N1 C7 -41.1(10) . . . . ?
C16 Nd1 N1 C7 63.0(6) . . . . ?
C13 Nd1 N1 C7 -18.5(6) . . . . ?
N4 Nd1 N1 C7 -79.2(5) . . . . ?
N3 Nd1 N1 Li1 -16.6(4) . . . . ?
N2 Nd1 N1 Li1 -101.6(5) . . . . ?
C14 Nd1 N1 Li1 116.8(5) . . . . ?
C18 Nd1 N1 Li1 -135.9(5) . . . . ?
C19 Nd1 N1 Li1 -110.4(12) . . . . ?
C17 Nd1 N1 Li1 -158.5(4) . . . . ?
C15 Nd1 N1 Li1 144.7(4) . . . . ?
C20 Nd1 N1 Li1 71.2(8) . . . . ?
C16 Nd1 N1 Li1 175.3(4) . . . . ?
C13 Nd1 N1 Li1 93.8(5) . . . . ?
N4 Nd1 N1 Li1 33.2(4) . . . . ?
N3 Nd1 N2 C1 -104.4(4) . . . . ?
N1 Nd1 N2 C1 -15.6(3) . . . . ?
C14 Nd1 N2 C1 57.0(5) . . . . ?
C18 Nd1 N2 C1 143.9(4) . . . . ?
C19 Nd1 N2 C1 162.6(4) . . . . ?
C17 Nd1 N2 C1 115.4(4) . . . . ?
C15 Nd1 N2 C1 65.8(4) . . . . ?
C20 Nd1 N2 C1 168.8(5) . . . . ?
C16 Nd1 N2 C1 86.7(4) . . . . ?
C13 Nd1 N2 C1 101.2(9) . . . . ?
N4 Nd1 N2 C1 -63.8(4) . . . . ?
N3 Nd1 N2 C10 107.9(7) . . . . ?
N1 Nd1 N2 C10 -163.2(8) . . . . ?
C14 Nd1 N2 C10 -90.7(7) . . . . ?
C18 Nd1 N2 C10 -3.8(7) . . . . ?
C19 Nd1 N2 C10 15.0(7) . . . . ?
C17 Nd1 N2 C10 -32.3(7) . . . . ?
C15 Nd1 N2 C10 -81.8(7) . . . . ?
C20 Nd1 N2 C10 21.2(9) . . . . ?
C16 Nd1 N2 C10 -60.9(7) . . . . ?
C13 Nd1 N2 C10 -46.4(12) . . . . ?
N4 Nd1 N2 C10 148.5(6) . . . . ?
N2 Nd1 N3 C21 150.9(4) . . . . ?
N1 Nd1 N3 C21 98.3(4) . . . . ?
C14 Nd1 N3 C21 -13.7(5) . . . . ?
C18 Nd1 N3 C21 -117.5(4) . . . . ?
C19 Nd1 N3 C21 -92.2(4) . . . . ?
C17 Nd1 N3 C21 -137.4(4) . . . . ?
C15 Nd1 N3 C21 -0.1(8) . . . . ?
C20 Nd1 N3 C21 -62.3(4) . . . . ?
C16 Nd1 N3 C21 -148.3(10) . . . . ?
C13 Nd1 N3 C21 -34.8(4) . . . . ?
N4 Nd1 N3 C21 22.6(3) . . . . ?
N2 Nd1 N3 C27 -72.4(6) . . . . ?
N1 Nd1 N3 C27 -125.1(6) . . . . ?
C14 Nd1 N3 C27 123.0(6) . . . . ?
C18 Nd1 N3 C27 19.2(7) . . . . ?
C19 Nd1 N3 C27 44.5(6) . . . . ?
C17 Nd1 N3 C27 -0.7(8) . . . . ?
C15 Nd1 N3 C27 136.6(7) . . . . ?
C20 Nd1 N3 C27 74.4(6) . . . . ?
C16 Nd1 N3 C27 -11.7(14) . . . . ?
C13 Nd1 N3 C27 101.8(6) . . . . ?
N4 Nd1 N3 C27 159.3(7) . . . . ?
N2 Nd1 N3 Li1 68.3(4) . . . . ?
N1 Nd1 N3 Li1 15.7(4) . . . . ?
C14 Nd1 N3 Li1 -96.3(5) . . . . ?
C18 Nd1 N3 Li1 160.0(4) . . . . ?
C19 Nd1 N3 Li1 -174.8(4) . . . . ?
C17 Nd1 N3 Li1 140.0(5) . . . . ?
C15 Nd1 N3 Li1 -82.7(7) . . . . ?
C20 Nd1 N3 Li1 -144.9(4) . . . . ?
C16 Nd1 N3 Li1 129.1(11) . . . . ?
C13 Nd1 N3 Li1 -117.4(4) . . . . ?
N4 Nd1 N3 Li1 -59.9(4) . . . . ?
N3 Nd1 N4 C21 -22.4(4) . . . . ?
N2 Nd1 N4 C21 -80.0(4) . . . . ?
N1 Nd1 N4 C21 -117.6(4) . . . . ?
C14 Nd1 N4 C21 131.7(4) . . . . ?
C18 Nd1 N4 C21 51.4(5) . . . . ?
C19 Nd1 N4 C21 55.7(4) . . . . ?
C17 Nd1 N4 C21 102.8(7) . . . . ?
C15 Nd1 N4 C21 149.9(4) . . . . ?
C20 Nd1 N4 C21 74.2(4) . . . . ?
C16 Nd1 N4 C21 154.3(4) . . . . ?
C13 Nd1 N4 C21 103.3(4) . . . . ?
N3 Nd1 N4 C30 -149.0(7) . . . . ?
N2 Nd1 N4 C30 153.4(6) . . . . ?
N1 Nd1 N4 C30 115.8(6) . . . . ?
C14 Nd1 N4 C30 5.1(6) . . . . ?
C18 Nd1 N4 C30 -75.2(7) . . . . ?
C19 Nd1 N4 C30 -70.8(6) . . . . ?
C17 Nd1 N4 C30 -23.8(10) . . . . ?
C15 Nd1 N4 C30 23.3(6) . . . . ?
C20 Nd1 N4 C30 -52.3(6) . . . . ?
C16 Nd1 N4 C30 27.8(7) . . . . ?
C13 Nd1 N4 C30 -23.3(6) . . . . ?
N3 Nd1 N4 Li1 63.1(4) . . . . ?
N2 Nd1 N4 Li1 5.4(4) . . . . ?
N1 Nd1 N4 Li1 -32.2(4) . . . . ?
C14 Nd1 N4 Li1 -142.9(4) . . . . ?
C18 Nd1 N4 Li1 136.8(5) . . . . ?
C19 Nd1 N4 Li1 141.2(4) . . . . ?
C17 Nd1 N4 Li1 -171.8(7) . . . . ?
C15 Nd1 N4 Li1 -124.7(4) . . . . ?
C20 Nd1 N4 Li1 159.7(4) . . . . ?
C16 Nd1 N4 Li1 -120.2(5) . . . . ?
C13 Nd1 N4 Li1 -171.3(4) . . . . ?
N6 C41 N5 C50 -175.9(5) . . . . ?
C42 C41 N5 C50 7.9(8) . . . . ?
Li2 C41 N5 C50 -139.8(6) . . . . ?
Nd2 C41 N5 C50 144.1(5) . . . . ?
N6 C41 N5 Li2 -36.1(6) . . . . ?
C42 C41 N5 Li2 147.7(6) . . . . ?
Nd2 C41 N5 Li2 -76.1(3) . . . . ?
N6 C41 N5 Nd2 40.0(5) . . . . ?
C42 C41 N5 Nd2 -136.1(6) . . . . ?
Li2 C41 N5 Nd2 76.1(3) . . . . ?
C51 C50 N5 C41 -162.6(6) . . . . ?
C52 C50 N5 C41 75.5(7) . . . . ?
C51 C50 N5 Li2 84.8(8) . . . . ?
C52 C50 N5 Li2 -37.1(9) . . . . ?
C51 C50 N5 Nd2 -46.4(9) . . . . ?
C52 C50 N5 Nd2 -168.2(5) . . . . ?
N8 Nd2 N5 C41 -82.9(4) . . . . ?
N6 Nd2 N5 C41 -23.3(4) . . . . ?
N7 Nd2 N5 C41 -119.0(4) . . . . ?
C53 Nd2 N5 C41 45.2(4) . . . . ?
C54 Nd2 N5 C41 57.3(4) . . . . ?
C57 Nd2 N5 C41 136.5(4) . . . . ?
C60 Nd2 N5 C41 60.3(6) . . . . ?
C59 Nd2 N5 C41 140.5(5) . . . . ?
C55 Nd2 N5 C41 82.1(4) . . . . ?
C58 Nd2 N5 C41 150.9(4) . . . . ?
C56 Nd2 N5 C41 111.1(4) . . . . ?
N8 Nd2 N5 C50 150.4(6) . . . . ?
N6 Nd2 N5 C50 -149.9(7) . . . . ?
N7 Nd2 N5 C50 114.4(6) . . . . ?
C53 Nd2 N5 C50 -81.5(6) . . . . ?
C54 Nd2 N5 C50 -69.4(6) . . . . ?
C57 Nd2 N5 C50 9.9(6) . . . . ?
C60 Nd2 N5 C50 -66.4(8) . . . . ?
C59 Nd2 N5 C50 13.8(9) . . . . ?
C55 Nd2 N5 C50 -44.6(6) . . . . ?
C58 Nd2 N5 C50 24.2(7) . . . . ?
C56 Nd2 N5 C50 -15.6(6) . . . . ?
N8 Nd2 N5 Li2 3.2(4) . . . . ?
N6 Nd2 N5 Li2 62.8(4) . . . . ?
N7 Nd2 N5 Li2 -32.9(3) . . . . ?
C53 Nd2 N5 Li2 131.2(4) . . . . ?
C54 Nd2 N5 Li2 143.4(4) . . . . ?
C57 Nd2 N5 Li2 -137.4(4) . . . . ?
C60 Nd2 N5 Li2 146.4(6) . . . . ?
C59 Nd2 N5 Li2 -133.5(5) . . . . ?
C55 Nd2 N5 Li2 168.2(4) . . . . ?
C58 Nd2 N5 Li2 -123.0(4) . . . . ?
C56 Nd2 N5 Li2 -162.8(4) . . . . ?
N5 C41 N6 C47 171.2(6) . . . . ?
C42 C41 N6 C47 -12.7(9) . . . . ?
Li2 C41 N6 C47 136.2(6) . . . . ?
Nd2 C41 N6 C47 -145.7(7) . . . . ?
N5 C41 N6 Li2 35.0(6) . . . . ?
C42 C41 N6 Li2 -148.9(6) . . . . ?
Nd2 C41 N6 Li2 78.2(3) . . . . ?
N5 C41 N6 Nd2 -43.2(5) . . . . ?
C42 C41 N6 Nd2 133.0(5) . . . . ?
Li2 C41 N6 Nd2 -78.2(3) . . . . ?
C48 C47 N6 C41 106.7(7) . . . . ?
C49 C47 N6 C41 -130.3(6) . . . . ?
C48 C47 N6 Li2 -145.5(7) . . . . ?
C49 C47 N6 Li2 -22.5(8) . . . . ?
C48 C47 N6 Nd2 -20.8(9) . . . . ?
C49 C47 N6 Nd2 102.2(7) . . . . ?
N8 Nd2 N6 C41 149.9(4) . . . . ?
N7 Nd2 N6 C41 97.8(4) . . . . ?
C53 Nd2 N6 C41 -109.3(4) . . . . ?
C54 Nd2 N6 C41 -80.9(4) . . . . ?
C57 Nd2 N6 C41 -12.4(6) . . . . ?
C60 Nd2 N6 C41 -129.9(4) . . . . ?
C59 Nd2 N6 C41 -142.0(5) . . . . ?
C55 Nd2 N6 C41 -51.4(5) . . . . ?
C58 Nd2 N6 C41 -28(2) . . . . ?
C56 Nd2 N6 C41 -29.0(5) . . . . ?
N5 Nd2 N6 C41 23.1(4) . . . . ?
N8 Nd2 N6 C47 -74.2(6) . . . . ?
N7 Nd2 N6 C47 -126.3(6) . . . . ?
C53 Nd2 N6 C47 26.6(6) . . . . ?
C54 Nd2 N6 C47 55.0(6) . . . . ?
C57 Nd2 N6 C47 123.5(6) . . . . ?
C60 Nd2 N6 C47 6.0(7) . . . . ?
C59 Nd2 N6 C47 -6.2(9) . . . . ?
C55 Nd2 N6 C47 84.5(6) . . . . ?
C58 Nd2 N6 C47 108(2) . . . . ?
C56 Nd2 N6 C47 106.8(6) . . . . ?
N5 Nd2 N6 C47 158.9(7) . . . . ?
N8 Nd2 N6 Li2 68.6(3) . . . . ?
N7 Nd2 N6 Li2 16.5(3) . . . . ?
C53 Nd2 N6 Li2 169.5(4) . . . . ?
C54 Nd2 N6 Li2 -162.2(4) . . . . ?
C57 Nd2 N6 Li2 -93.6(5) . . . . ?
C60 Nd2 N6 Li2 148.9(4) . . . . ?
C59 Nd2 N6 Li2 136.7(5) . . . . ?
C55 Nd2 N6 Li2 -132.7(4) . . . . ?
C58 Nd2 N6 Li2 -109(2) . . . . ?
C56 Nd2 N6 Li2 -110.3(4) . . . . ?
N5 Nd2 N6 Li2 -58.2(3) . . . . ?
N8 C61 N7 C67 -165.6(6) . . . . ?
C62 C61 N7 C67 14.1(9) . . . . ?
Nd2 C61 N7 C67 -140.8(6) . . . . ?
N8 C61 N7 Li2 52.6(8) . . . . ?
C62 C61 N7 Li2 -127.8(6) . . . . ?
Nd2 C61 N7 Li2 77.4(5) . . . . ?
N8 C61 N7 Nd2 -24.8(6) . . . . ?
C62 C61 N7 Nd2 154.8(5) . . . . ?
C69 C67 N7 C61 105.8(6) . . . . ?
C68 C67 N7 C61 -131.6(6) . . . . ?
C69 C67 N7 Li2 -111.2(7) . . . . ?
C68 C67 N7 Li2 11.3(7) . . . . ?
C69 C67 N7 Nd2 -14.0(9) . . . . ?
C68 C67 N7 Nd2 108.5(6) . . . . ?
N8 Nd2 N7 C61 13.8(3) . . . . ?
N6 Nd2 N7 C61 100.4(4) . . . . ?
C53 Nd2 N7 C61 -1.9(6) . . . . ?
C54 Nd2 N7 C61 112.9(19) . . . . ?
C57 Nd2 N7 C61 -114.7(4) . . . . ?
C60 Nd2 N7 C61 -29.5(5) . . . . ?
C59 Nd2 N7 C61 -55.3(4) . . . . ?
C55 Nd2 N7 C61 -165.5(4) . . . . ?
C58 Nd2 N7 C61 -84.7(4) . . . . ?
C56 Nd2 N7 C61 -141.3(4) . . . . ?
N5 Nd2 N7 C61 150.2(4) . . . . ?
N8 Nd2 N7 C67 143.9(7) . . . . ?
N6 Nd2 N7 C67 -129.6(6) . . . . ?
C53 Nd2 N7 C67 128.1(6) . . . . ?
C54 Nd2 N7 C67 -117.0(19) . . . . ?
C57 Nd2 N7 C67 15.3(6) . . . . ?
C60 Nd2 N7 C67 100.6(6) . . . . ?
C59 Nd2 N7 C67 74.8(6) . . . . ?
C55 Nd2 N7 C67 -35.4(8) . . . . ?
C58 Nd2 N7 C67 45.4(6) . . . . ?
C56 Nd2 N7 C67 -11.3(7) . . . . ?
N5 Nd2 N7 C67 -79.8(6) . . . . ?
N8 Nd2 N7 Li2 -103.7(4) . . . . ?
N6 Nd2 N7 Li2 -17.2(3) . . . . ?
C53 Nd2 N7 Li2 -119.5(5) . . . . ?
C54 Nd2 N7 Li2 -4.6(19) . . . . ?
C57 Nd2 N7 Li2 127.7(4) . . . . ?
C60 Nd2 N7 Li2 -147.0(4) . . . . ?
C59 Nd2 N7 Li2 -172.8(3) . . . . ?
C55 Nd2 N7 Li2 77.0(5) . . . . ?
C58 Nd2 N7 Li2 157.8(3) . . . . ?
C56 Nd2 N7 Li2 101.1(4) . . . . ?
N5 Nd2 N7 Li2 32.6(3) . . . . ?
N7 C61 N8 C70 -175.5(5) . . . . ?
C62 C61 N8 C70 4.8(8) . . . . ?
Nd2 C61 N8 C70 158.9(5) . . . . ?
N7 C61 N8 Nd2 25.6(6) . . . . ?
C62 C61 N8 Nd2 -154.1(5) . . . . ?
C72 C70 N8 C61 -78.9(8) . . . . ?
C71 C70 N8 C61 158.0(6) . . . . ?
C72 C70 N8 Nd2 66.0(8) . . . . ?
C71 C70 N8 Nd2 -57.2(8) . . . . ?
N6 Nd2 N8 C61 -102.2(4) . . . . ?
N7 Nd2 N8 C61 -14.4(4) . . . . ?
C53 Nd2 N8 C61 158.3(4) . . . . ?
C54 Nd2 N8 C61 173.3(4) . . . . ?
C57 Nd2 N8 C61 64.3(4) . . . . ?
C60 Nd2 N8 C61 132.4(4) . . . . ?
C59 Nd2 N8 C61 102.7(4) . . . . ?
C55 Nd2 N8 C61 164.6(6) . . . . ?
C58 Nd2 N8 C61 77.5(4) . . . . ?
C56 Nd2 N8 C61 75.0(8) . . . . ?
N5 Nd2 N8 C61 -60.7(4) . . . . ?
N6 Nd2 N8 C70 108.2(6) . . . . ?
N7 Nd2 N8 C70 -164.1(6) . . . . ?
C53 Nd2 N8 C70 8.7(6) . . . . ?
C54 Nd2 N8 C70 23.6(7) . . . . ?
C57 Nd2 N8 C70 -85.4(6) . . . . ?
C60 Nd2 N8 C70 -17.2(6) . . . . ?
C59 Nd2 N8 C70 -46.9(6) . . . . ?
C55 Nd2 N8 C70 15.0(9) . . . . ?
C58 Nd2 N8 C70 -72.1(6) . . . . ?
C56 Nd2 N8 C70 -74.6(9) . . . . ?
N5 Nd2 N8 C70 149.7(5) . . . . ?
C7 N1 C1 N2 -170.9(5) . . . . ?
Li1 N1 C1 N2 50.8(8) . . . . ?
Nd1 N1 C1 N2 -27.9(6) . . . . ?
C7 N1 C1 C2 5.1(9) . . . . ?
Li1 N1 C1 C2 -133.2(6) . . . . ?
Nd1 N1 C1 C2 148.2(5) . . . . ?
C7 N1 C1 Nd1 -143.0(5) . . . . ?
Li1 N1 C1 Nd1 78.7(4) . . . . ?
C10 N2 C1 N1 -172.4(6) . . . . ?
Nd1 N2 C1 N1 28.5(6) . . . . ?
C10 N2 C1 C2 11.5(9) . . . . ?
Nd1 N2 C1 C2 -147.6(5) . . . . ?
C10 N2 C1 Nd1 159.1(6) . . . . ?
N3 Nd1 C1 N1 -78.1(4) . . . . ?
N2 Nd1 C1 N1 -152.0(6) . . . . ?
C14 Nd1 C1 N1 66.0(4) . . . . ?
C18 Nd1 C1 N1 167.3(4) . . . . ?
C19 Nd1 C1 N1 -178.0(4) . . . . ?
C17 Nd1 C1 N1 143.7(4) . . . . ?
C15 Nd1 C1 N1 86.3(4) . . . . ?
C20 Nd1 C1 N1 159.8(16) . . . . ?
C16 Nd1 C1 N1 114.7(4) . . . . ?
C13 Nd1 C1 N1 55.8(6) . . . . ?
N4 Nd1 C1 N1 -28.9(4) . . . . ?
N3 Nd1 C1 N2 73.9(4) . . . . ?
N1 Nd1 C1 N2 152.0(6) . . . . ?
C14 Nd1 C1 N2 -142.0(4) . . . . ?
C18 Nd1 C1 N2 -40.7(4) . . . . ?
C19 Nd1 C1 N2 -26.0(5) . . . . ?
C17 Nd1 C1 N2 -64.4(4) . . . . ?
C15 Nd1 C1 N2 -121.7(4) . . . . ?
C20 Nd1 C1 N2 -48.2(18) . . . . ?
C16 Nd1 C1 N2 -93.3(4) . . . . ?
C13 Nd1 C1 N2 -152.2(5) . . . . ?
N4 Nd1 C1 N2 123.0(4) . . . . ?
N3 Nd1 C1 C2 174.7(9) . . . . ?
N2 Nd1 C1 C2 100.8(10) . . . . ?
N1 Nd1 C1 C2 -107.2(10) . . . . ?
C14 Nd1 C1 C2 -41.2(10) . . . . ?
C18 Nd1 C1 C2 60.1(9) . . . . ?
C19 Nd1 C1 C2 74.8(10) . . . . ?
C17 Nd1 C1 C2 36.4(9) . . . . ?
C15 Nd1 C1 C2 -20.9(9) . . . . ?
C20 Nd1 C1 C2 53(2) . . . . ?
C16 Nd1 C1 C2 7.5(9) . . . . ?
C13 Nd1 C1 C2 -51.4(11) . . . . ?
N4 Nd1 C1 C2 -136.2(9) . . . . ?
N1 C1 C2 C3 -66(13) . . . . ?
N2 C1 C2 C3 110(13) . . . . ?
Nd1 C1 C2 C3 25(14) . . . . ?
C1 C2 C3 C4 -167(100) . . . . ?
C2 C3 C4 C5 -68(60) . . . . ?
C2 C3 C4 C6 -136(60) . . . . ?
C3 C4 C5 C6 -109.1(9) . . . . ?
C3 C4 C6 C5 109.1(10) . . . . ?
C1 N1 C7 C8 90.2(8) . . . . ?
Li1 N1 C7 C8 -129.9(7) . . . . ?
Nd1 N1 C7 C8 -30.9(9) . . . . ?
C1 N1 C7 C9 -148.3(6) . . . . ?
Li1 N1 C7 C9 -8.4(8) . . . . ?
Nd1 N1 C7 C9 90.6(7) . . . . ?
C1 N2 C10 C12 -165.0(6) . . . . ?
Nd1 N2 C10 C12 -22.4(9) . . . . ?
C1 N2 C10 C11 72.8(7) . . . . ?
Nd1 N2 C10 C11 -144.5(6) . . . . ?
N3 Nd1 C13 C14 147.7(4) . . . . ?
N2 Nd1 C13 C14 -59.2(11) . . . . ?
N1 Nd1 C13 C14 47.7(6) . . . . ?
C18 Nd1 C13 C14 -103.2(5) . . . . ?
C19 Nd1 C13 C14 -127.2(5) . . . . ?
C17 Nd1 C13 C14 -73.3(5) . . . . ?
C15 Nd1 C13 C14 -19.6(4) . . . . ?
C20 Nd1 C13 C14 -146.9(8) . . . . ?
C16 Nd1 C13 C14 -44.3(5) . . . . ?
N4 Nd1 C13 C14 106.8(5) . . . . ?
N3 Nd1 C13 C20 -65.3(5) . . . . ?
N2 Nd1 C13 C20 87.8(11) . . . . ?
N1 Nd1 C13 C20 -165.4(5) . . . . ?
C14 Nd1 C13 C20 146.9(8) . . . . ?
C18 Nd1 C13 C20 43.7(5) . . . . ?
C19 Nd1 C13 C20 19.7(5) . . . . ?
C17 Nd1 C13 C20 73.6(5) . . . . ?
C15 Nd1 C13 C20 127.4(6) . . . . ?
C16 Nd1 C13 C20 102.6(6) . . . . ?
N4 Nd1 C13 C20 -106.2(5) . . . . ?
C20 C13 C14 C15 5.5(15) . . . . ?
Nd1 C13 C14 C15 52.9(9) . . . . ?
C20 C13 C14 Nd1 -47.4(9) . . . . ?
N3 Nd1 C14 C15 171.2(4) . . . . ?
N2 Nd1 C14 C15 16.6(6) . . . . ?
N1 Nd1 C14 C15 70.0(5) . . . . ?
C18 Nd1 C14 C15 -73.6(5) . . . . ?
C19 Nd1 C14 C15 -102.2(5) . . . . ?
C17 Nd1 C14 C15 -43.7(5) . . . . ?
C20 Nd1 C14 C15 -126.4(6) . . . . ?
C16 Nd1 C14 C15 -19.7(4) . . . . ?
C13 Nd1 C14 C15 -145.5(7) . . . . ?
N4 Nd1 C14 C15 144.2(5) . . . . ?
N3 Nd1 C14 C13 -43.3(5) . . . . ?
N2 Nd1 C14 C13 162.1(4) . . . . ?
N1 Nd1 C14 C13 -144.5(4) . . . . ?
C18 Nd1 C14 C13 71.9(5) . . . . ?
C19 Nd1 C14 C13 43.3(5) . . . . ?
C17 Nd1 C14 C13 101.8(5) . . . . ?
C15 Nd1 C14 C13 145.5(7) . . . . ?
C20 Nd1 C14 C13 19.1(4) . . . . ?
C16 Nd1 C14 C13 125.8(5) . . . . ?
N4 Nd1 C14 C13 -70.3(5) . . . . ?
C13 C14 C15 C16 -3.5(16) . . . . ?
Nd1 C14 C15 C16 49.6(9) . . . . ?
C13 C14 C15 Nd1 -53.0(9) . . . . ?
N3 Nd1 C15 C14 -20.6(9) . . . . ?
N2 Nd1 C15 C14 -169.0(4) . . . . ?
N1 Nd1 C15 C14 -116.8(4) . . . . ?
C18 Nd1 C15 C14 101.8(5) . . . . ?
C19 Nd1 C15 C14 73.3(5) . . . . ?
C17 Nd1 C15 C14 126.6(5) . . . . ?
C20 Nd1 C15 C14 44.1(5) . . . . ?
C16 Nd1 C15 C14 146.0(7) . . . . ?
C13 Nd1 C15 C14 19.8(4) . . . . ?
N4 Nd1 C15 C14 -39.3(5) . . . . ?
N3 Nd1 C15 C16 -166.7(6) . . . . ?
N2 Nd1 C15 C16 45.0(5) . . . . ?
N1 Nd1 C15 C16 97.1(5) . . . . ?
C14 Nd1 C15 C16 -146.0(7) . . . . ?
C18 Nd1 C15 C16 -44.2(5) . . . . ?
C19 Nd1 C15 C16 -72.8(5) . . . . ?
C17 Nd1 C15 C16 -19.5(5) . . . . ?
C20 Nd1 C15 C16 -101.9(5) . . . . ?
C13 Nd1 C15 C16 -126.3(5) . . . . ?
N4 Nd1 C15 C16 174.7(4) . . . . ?
C14 C15 C16 C17 0.0(16) . . . . ?
Nd1 C15 C16 C17 49.3(9) . . . . ?
C14 C15 C16 Nd1 -49.2(9) . . . . ?
N3 Nd1 C16 C17 14.9(15) . . . . ?
N2 Nd1 C16 C17 74.9(6) . . . . ?
N1 Nd1 C16 C17 126.7(5) . . . . ?
C14 Nd1 C16 C17 -126.3(6) . . . . ?
C18 Nd1 C16 C17 -19.5(5) . . . . ?
C19 Nd1 C16 C17 -43.0(6) . . . . ?
C15 Nd1 C16 C17 -145.5(8) . . . . ?
C20 Nd1 C16 C17 -72.2(6) . . . . ?
C13 Nd1 C16 C17 -101.9(6) . . . . ?
N4 Nd1 C16 C17 -153.6(5) . . . . ?
N3 Nd1 C16 C15 160.4(9) . . . . ?
N2 Nd1 C16 C15 -139.6(5) . . . . ?
N1 Nd1 C16 C15 -87.8(5) . . . . ?
C14 Nd1 C16 C15 19.2(5) . . . . ?
C18 Nd1 C16 C15 126.0(6) . . . . ?
C19 Nd1 C16 C15 102.5(5) . . . . ?
C17 Nd1 C16 C15 145.5(8) . . . . ?
C20 Nd1 C16 C15 73.3(5) . . . . ?
C13 Nd1 C16 C15 43.6(5) . . . . ?
N4 Nd1 C16 C15 -8.1(7) . . . . ?
C15 C16 C17 C18 0.4(16) . . . . ?
Nd1 C16 C17 C18 49.5(9) . . . . ?
C15 C16 C17 Nd1 -49.1(9) . . . . ?
N3 Nd1 C17 C16 -175.1(5) . . . . ?
N2 Nd1 C17 C16 -103.7(6) . . . . ?
N1 Nd1 C17 C16 -61.8(6) . . . . ?
C14 Nd1 C17 C16 43.9(6) . . . . ?
C18 Nd1 C17 C16 146.3(9) . . . . ?
C19 Nd1 C17 C16 127.5(7) . . . . ?
C15 Nd1 C17 C16 20.0(5) . . . . ?
C20 Nd1 C17 C16 103.1(6) . . . . ?
C13 Nd1 C17 C16 73.2(6) . . . . ?
N4 Nd1 C17 C16 73.7(9) . . . . ?
N3 Nd1 C17 C18 38.6(7) . . . . ?
N2 Nd1 C17 C18 110.0(5) . . . . ?
N1 Nd1 C17 C18 151.9(5) . . . . ?
C14 Nd1 C17 C18 -102.4(6) . . . . ?
C19 Nd1 C17 C18 -18.9(5) . . . . ?
C15 Nd1 C17 C18 -126.4(6) . . . . ?
C20 Nd1 C17 C18 -43.2(5) . . . . ?
C16 Nd1 C17 C18 -146.3(9) . . . . ?
C13 Nd1 C17 C18 -73.1(5) . . . . ?
N4 Nd1 C17 C18 -72.6(9) . . . . ?
C16 C17 C18 C19 0.1(16) . . . . ?
Nd1 C17 C18 C19 50.0(9) . . . . ?
C16 C17 C18 Nd1 -49.9(9) . . . . ?
N3 Nd1 C18 C19 60.5(5) . . . . ?
N2 Nd1 C18 C19 144.3(5) . . . . ?
N1 Nd1 C18 C19 170.9(4) . . . . ?
C14 Nd1 C18 C19 -73.6(5) . . . . ?
C17 Nd1 C18 C19 -146.3(8) . . . . ?
C15 Nd1 C18 C19 -102.5(6) . . . . ?
C20 Nd1 C18 C19 -19.6(5) . . . . ?
C16 Nd1 C18 C19 -127.3(6) . . . . ?
C13 Nd1 C18 C19 -44.5(5) . . . . ?
N4 Nd1 C18 C19 8.2(7) . . . . ?
N3 Nd1 C18 C17 -153.3(5) . . . . ?
N2 Nd1 C18 C17 -69.4(5) . . . . ?
N1 Nd1 C18 C17 -42.8(7) . . . . ?
C14 Nd1 C18 C17 72.7(5) . . . . ?
C19 Nd1 C18 C17 146.3(8) . . . . ?
C15 Nd1 C18 C17 43.8(5) . . . . ?
C20 Nd1 C18 C17 126.7(6) . . . . ?
C16 Nd1 C18 C17 19.0(5) . . . . ?
C13 Nd1 C18 C17 101.8(5) . . . . ?
N4 Nd1 C18 C17 154.5(5) . . . . ?
C17 C18 C19 C20 1.1(17) . . . . ?
Nd1 C18 C19 C20 51.0(10) . . . . ?
C17 C18 C19 Nd1 -49.9(9) . . . . ?
N3 Nd1 C19 C18 -125.8(5) . . . . ?
N2 Nd1 C19 C18 -40.9(6) . . . . ?
N1 Nd1 C19 C18 -33.0(15) . . . . ?
C14 Nd1 C19 C18 101.9(5) . . . . ?
C17 Nd1 C19 C18 19.6(5) . . . . ?
C15 Nd1 C19 C18 73.0(5) . . . . ?
C20 Nd1 C19 C18 145.9(8) . . . . ?
C16 Nd1 C19 C18 43.3(5) . . . . ?
C13 Nd1 C19 C18 125.8(6) . . . . ?
N4 Nd1 C19 C18 -174.5(5) . . . . ?
N3 Nd1 C19 C20 88.3(6) . . . . ?
N2 Nd1 C19 C20 173.2(5) . . . . ?
N1 Nd1 C19 C20 -179(23) . . . . ?
C14 Nd1 C19 C20 -44.0(6) . . . . ?
C18 Nd1 C19 C20 -145.9(8) . . . . ?
C17 Nd1 C19 C20 -126.2(6) . . . . ?
C15 Nd1 C19 C20 -72.9(6) . . . . ?
C16 Nd1 C19 C20 -102.5(6) . . . . ?
C13 Nd1 C19 C20 -20.0(5) . . . . ?
N4 Nd1 C19 C20 39.6(6) . . . . ?
C18 C19 C20 C13 -1.0(17) . . . . ?
Nd1 C19 C20 C13 49.9(9) . . . . ?
C18 C19 C20 Nd1 -50.9(10) . . . . ?
C14 C13 C20 C19 -2.6(16) . . . . ?
Nd1 C13 C20 C19 -49.7(9) . . . . ?
C14 C13 C20 Nd1 47.1(8) . . . . ?
N3 Nd1 C20 C19 -94.4(6) . . . . ?
N2 Nd1 C20 C19 -11.1(9) . . . . ?
N1 Nd1 C20 C19 179.4(5) . . . . ?
C14 Nd1 C20 C19 126.5(7) . . . . ?
C18 Nd1 C20 C19 19.3(5) . . . . ?
C17 Nd1 C20 C19 43.9(5) . . . . ?
C15 Nd1 C20 C19 102.5(6) . . . . ?
C16 Nd1 C20 C19 72.8(6) . . . . ?
C13 Nd1 C20 C19 145.3(9) . . . . ?
N4 Nd1 C20 C19 -144.0(6) . . . . ?
N3 Nd1 C20 C13 120.3(5) . . . . ?
N2 Nd1 C20 C13 -156.4(4) . . . . ?
N1 Nd1 C20 C13 34.1(11) . . . . ?
C14 Nd1 C20 C13 -18.8(5) . . . . ?
C18 Nd1 C20 C13 -126.0(6) . . . . ?
C19 Nd1 C20 C13 -145.3(9) . . . . ?
C17 Nd1 C20 C13 -101.3(5) . . . . ?
C15 Nd1 C20 C13 -42.8(5) . . . . ?
C16 Nd1 C20 C13 -72.5(5) . . . . ?
N4 Nd1 C20 C13 70.8(5) . . . . ?
C27 N3 C21 N4 171.2(5) . . . . ?
Li1 N3 C21 N4 35.7(6) . . . . ?
Nd1 N3 C21 N4 -42.8(5) . . . . ?
C27 N3 C21 C22 -9.1(9) . . . . ?
Li1 N3 C21 C22 -144.6(7) . . . . ?
Nd1 N3 C21 C22 136.9(6) . . . . ?
C27 N3 C21 Li1 135.5(6) . . . . ?
Nd1 N3 C21 Li1 -78.5(4) . . . . ?
C27 N3 C21 Nd1 -146.0(6) . . . . ?
Li1 N3 C21 Nd1 78.5(4) . . . . ?
C30 N4 C21 N3 -177.8(6) . . . . ?
Li1 N4 C21 N3 -36.1(6) . . . . ?
Nd1 N4 C21 N3 38.9(5) . . . . ?
C30 N4 C21 C22 2.4(9) . . . . ?
Li1 N4 C21 C22 144.2(6) . . . . ?
Nd1 N4 C21 C22 -140.9(6) . . . . ?
C30 N4 C21 Li1 -141.7(7) . . . . ?
Nd1 N4 C21 Li1 75.0(3) . . . . ?
C30 N4 C21 Nd1 143.3(6) . . . . ?
Li1 N4 C21 Nd1 -75.0(3) . . . . ?
N2 Nd1 C21 N3 -30.1(4) . . . . ?
N1 Nd1 C21 N3 -80.2(4) . . . . ?
C14 Nd1 C21 N3 169.5(4) . . . . ?
C18 Nd1 C21 N3 75.3(4) . . . . ?
C19 Nd1 C21 N3 90.7(4) . . . . ?
C17 Nd1 C21 N3 76.5(6) . . . . ?
C15 Nd1 C21 N3 180.0(4) . . . . ?
C20 Nd1 C21 N3 117.0(4) . . . . ?
C16 Nd1 C21 N3 156.5(6) . . . . ?
C13 Nd1 C21 N3 147.2(4) . . . . ?
N4 Nd1 C21 N3 -139.4(6) . . . . ?
N3 Nd1 C21 N4 139.4(6) . . . . ?
N2 Nd1 C21 N4 109.2(4) . . . . ?
N1 Nd1 C21 N4 59.1(4) . . . . ?
C14 Nd1 C21 N4 -51.2(4) . . . . ?
C18 Nd1 C21 N4 -145.3(4) . . . . ?
C19 Nd1 C21 N4 -129.9(4) . . . . ?
C17 Nd1 C21 N4 -144.2(5) . . . . ?
C15 Nd1 C21 N4 -40.7(5) . . . . ?
C20 Nd1 C21 N4 -103.7(4) . . . . ?
C16 Nd1 C21 N4 -64.2(8) . . . . ?
C13 Nd1 C21 N4 -73.5(4) . . . . ?
N3 Nd1 C21 C22 -105.1(9) . . . . ?
N2 Nd1 C21 C22 -135.2(8) . . . . ?
N1 Nd1 C21 C22 174.7(8) . . . . ?
C14 Nd1 C21 C22 64.4(8) . . . . ?
C18 Nd1 C21 C22 -29.7(9) . . . . ?
C19 Nd1 C21 C22 -14.3(8) . . . . ?
C17 Nd1 C21 C22 -28.6(11) . . . . ?
C15 Nd1 C21 C22 74.9(8) . . . . ?
C20 Nd1 C21 C22 11.9(8) . . . . ?
C16 Nd1 C21 C22 51.4(12) . . . . ?
C13 Nd1 C21 C22 42.1(8) . . . . ?
N4 Nd1 C21 C22 115.6(10) . . . . ?
N3 Nd1 C21 Li1 71.5(5) . . . . ?
N2 Nd1 C21 Li1 41.4(4) . . . . ?
N1 Nd1 C21 Li1 -8.7(4) . . . . ?
C14 Nd1 C21 Li1 -119.0(4) . . . . ?
C18 Nd1 C21 Li1 146.9(4) . . . . ?
C19 Nd1 C21 Li1 162.3(4) . . . . ?
C17 Nd1 C21 Li1 148.0(6) . . . . ?
C15 Nd1 C21 Li1 -108.5(4) . . . . ?
C20 Nd1 C21 Li1 -171.5(4) . . . . ?
C16 Nd1 C21 Li1 -132.0(7) . . . . ?
C13 Nd1 C21 Li1 -141.3(4) . . . . ?
N4 Nd1 C21 Li1 -67.8(5) . . . . ?
N3 C21 C22 C23 -65(12) . . . . ?
N4 C21 C22 C23 115(12) . . . . ?
Li1 C21 C22 C23 -157(12) . . . . ?
Nd1 C21 C22 C23 17(13) . . . . ?
C21 C22 C23 C24 49(21) . . . . ?
C22 C23 C24 C25 -32(12) . . . . ?
C22 C23 C24 C26 35(12) . . . . ?
C23 C24 C25 C26 106.2(9) . . . . ?
C23 C24 C26 C25 -107.3(8) . . . . ?
C21 N3 C27 C28 -140.5(6) . . . . ?
Li1 N3 C27 C28 -31.7(9) . . . . ?
Nd1 N3 C27 C28 90.7(7) . . . . ?
C21 N3 C27 C29 97.0(7) . . . . ?
Li1 N3 C27 C29 -154.2(7) . . . . ?
Nd1 N3 C27 C29 -31.8(9) . . . . ?
C21 N4 C30 C31 -157.8(6) . . . . ?
Li1 N4 C30 C31 88.2(10) . . . . ?
Nd1 N4 C30 C31 -42.6(8) . . . . ?
C21 N4 C30 C32 81.3(7) . . . . ?
Li1 N4 C30 C32 -32.8(11) . . . . ?
Nd1 N4 C30 C32 -163.6(5) . . . . ?
O1 C33 C34 C35 -29.8(8) . . . . ?
C33 C34 C35 C36 32.2(8) . . . . ?
C34 C35 C36 O1 -24.0(8) . . . . ?
C34 C33 O1 C36 15.3(8) . . . . ?
C34 C33 O1 Li1 -148.2(7) . . . . ?
C35 C36 O1 C33 5.0(8) . . . . ?
C35 C36 O1 Li1 169.0(6) . . . . ?
C74 C73 O2 C76 -13.4(12) . . . . ?
C74 C73 O2 Li2 148.4(9) . . . . ?
C75 C76 O2 C73 2.3(12) . . . . ?
C75 C76 O2 Li2 -161.5(9) . . . . ?
C73 O2 Li2 N7 167.6(7) . . . . ?
C76 O2 Li2 N7 -32.2(10) . . . . ?
C73 O2 Li2 N5 19.1(11) . . . . ?
C76 O2 Li2 N5 179.3(7) . . . . ?
C73 O2 Li2 N6 -54.0(10) . . . . ?
C76 O2 Li2 N6 106.3(7) . . . . ?
C73 O2 Li2 C41 -17.2(10) . . . . ?
C76 O2 Li2 C41 143.0(6) . . . . ?
C73 O2 Li2 Nd2 -98(2) . . . . ?
C76 O2 Li2 Nd2 63(2) . . . . ?
C61 N7 Li2 O2 76.6(8) . . . . ?
C67 N7 Li2 O2 -66.8(8) . . . . ?
Nd2 N7 Li2 O2 160.7(7) . . . . ?
C61 N7 Li2 N5 -129.0(6) . . . . ?
C67 N7 Li2 N5 87.6(6) . . . . ?
Nd2 N7 Li2 N5 -44.9(4) . . . . ?
C61 N7 Li2 N6 -62.0(7) . . . . ?
C67 N7 Li2 N6 154.6(5) . . . . ?
Nd2 N7 Li2 N6 22.1(4) . . . . ?
C61 N7 Li2 C41 -98.1(7) . . . . ?
C67 N7 Li2 C41 118.5(6) . . . . ?
Nd2 N7 Li2 C41 -14.0(5) . . . . ?
C61 N7 Li2 Nd2 -84.1(5) . . . . ?
C67 N7 Li2 Nd2 132.5(4) . . . . ?
C41 N5 Li2 O2 -77.3(7) . . . . ?
C50 N5 Li2 O2 47.0(10) . . . . ?
Nd2 N5 Li2 O2 -163.4(7) . . . . ?
C41 N5 Li2 N7 129.1(5) . . . . ?
C50 N5 Li2 N7 -106.6(7) . . . . ?
Nd2 N5 Li2 N7 43.0(4) . . . . ?
C41 N5 Li2 N6 21.6(3) . . . . ?
C50 N5 Li2 N6 145.9(6) . . . . ?
Nd2 N5 Li2 N6 -64.5(2) . . . . ?
C50 N5 Li2 C41 124.3(7) . . . . ?
Nd2 N5 Li2 C41 -86.1(3) . . . . ?
C41 N5 Li2 Nd2 86.1(3) . . . . ?
C50 N5 Li2 Nd2 -149.6(6) . . . . ?
C41 N6 Li2 O2 99.5(6) . . . . ?
C47 N6 Li2 O2 -23.0(9) . . . . ?
Nd2 N6 Li2 O2 -166.5(5) . . . . ?
C41 N6 Li2 N7 -116.6(6) . . . . ?
C47 N6 Li2 N7 120.8(6) . . . . ?
Nd2 N6 Li2 N7 -22.6(4) . . . . ?
C41 N6 Li2 N5 -21.6(3) . . . . ?
C47 N6 Li2 N5 -144.1(6) . . . . ?
Nd2 N6 Li2 N5 72.4(2) . . . . ?
C47 N6 Li2 C41 -122.5(7) . . . . ?
Nd2 N6 Li2 C41 94.0(3) . . . . ?
C41 N6 Li2 Nd2 -94.0(3) . . . . ?
C47 N6 Li2 Nd2 143.5(6) . . . . ?
N5 C41 Li2 O2 121.4(6) . . . . ?
N6 C41 Li2 O2 -95.0(6) . . . . ?
C42 C41 Li2 O2 15.7(13) . . . . ?
Nd2 C41 Li2 O2 -162.1(6) . . . . ?
N5 C41 Li2 N7 -63.4(6) . . . . ?
N6 C41 Li2 N7 80.3(6) . . . . ?
C42 C41 Li2 N7 -169.1(8) . . . . ?
Nd2 C41 Li2 N7 13.2(5) . . . . ?
N6 C41 Li2 N5 143.6(5) . . . . ?
C42 C41 Li2 N5 -105.7(11) . . . . ?
Nd2 C41 Li2 N5 76.6(3) . . . . ?
N5 C41 Li2 N6 -143.6(5) . . . . ?
C42 C41 Li2 N6 110.7(11) . . . . ?
Nd2 C41 Li2 N6 -67.1(3) . . . . ?
N5 C41 Li2 Nd2 -76.6(3) . . . . ?
N6 C41 Li2 Nd2 67.1(3) . . . . ?
C42 C41 Li2 Nd2 177.7(10) . . . . ?
N8 Nd2 Li2 O2 -51.3(19) . . . . ?
N6 Nd2 Li2 O2 50.0(18) . . . . ?
N7 Nd2 Li2 O2 -105(2) . . . . ?
C53 Nd2 Li2 O2 32(2) . . . . ?
C54 Nd2 Li2 O2 74(2) . . . . ?
C57 Nd2 Li2 O2 -177.4(18) . . . . ?
C60 Nd2 Li2 O2 -26(2) . . . . ?
C59 Nd2 Li2 O2 -92(2) . . . . ?
C55 Nd2 Li2 O2 111.5(19) . . . . ?
C58 Nd2 Li2 O2 -138.6(18) . . . . ?
C56 Nd2 Li2 O2 145.9(18) . . . . ?
N5 Nd2 Li2 O2 126(2) . . . . ?
N8 Nd2 Li2 N7 54.0(3) . . . . ?
N6 Nd2 Li2 N7 155.2(5) . . . . ?
C53 Nd2 Li2 N7 137.5(4) . . . . ?
C54 Nd2 Li2 N7 179.3(3) . . . . ?
C57 Nd2 Li2 N7 -72.1(4) . . . . ?
C60 Nd2 Li2 N7 79.3(7) . . . . ?
C59 Nd2 Li2 N7 13.7(7) . . . . ?
C55 Nd2 Li2 N7 -143.2(3) . . . . ?
C58 Nd2 Li2 N7 -33.3(5) . . . . ?
C56 Nd2 Li2 N7 -108.9(4) . . . . ?
N5 Nd2 Li2 N7 -129.1(4) . . . . ?
N8 Nd2 Li2 N5 -176.9(3) . . . . ?
N6 Nd2 Li2 N5 -75.7(3) . . . . ?
N7 Nd2 Li2 N5 129.1(4) . . . . ?
C53 Nd2 Li2 N5 -93.4(5) . . . . ?
C54 Nd2 Li2 N5 -51.6(5) . . . . ?
C57 Nd2 Li2 N5 57.0(4) . . . . ?
C60 Nd2 Li2 N5 -151.6(5) . . . . ?
C59 Nd2 Li2 N5 142.8(4) . . . . ?
C55 Nd2 Li2 N5 -14.2(5) . . . . ?
C58 Nd2 Li2 N5 95.8(4) . . . . ?
C56 Nd2 Li2 N5 20.2(5) . . . . ?
N8 Nd2 Li2 N6 -101.2(3) . . . . ?
N7 Nd2 Li2 N6 -155.2(5) . . . . ?
C53 Nd2 Li2 N6 -17.7(6) . . . . ?
C54 Nd2 Li2 N6 24.1(5) . . . . ?
C57 Nd2 Li2 N6 132.6(3) . . . . ?
C60 Nd2 Li2 N6 -75.9(7) . . . . ?
C59 Nd2 Li2 N6 -141.5(4) . . . . ?
C55 Nd2 Li2 N6 61.5(4) . . . . ?
C58 Nd2 Li2 N6 171.5(3) . . . . ?
C56 Nd2 Li2 N6 95.9(4) . . . . ?
N5 Nd2 Li2 N6 75.7(3) . . . . ?
N8 Nd2 Li2 C41 -139.0(3) . . . . ?
N6 Nd2 Li2 C41 -37.8(2) . . . . ?
N7 Nd2 Li2 C41 167.0(5) . . . . ?
C53 Nd2 Li2 C41 -55.6(5) . . . . ?
C54 Nd2 Li2 C41 -13.7(5) . . . . ?
C57 Nd2 Li2 C41 94.8(4) . . . . ?
C60 Nd2 Li2 C41 -113.7(6) . . . . ?
C59 Nd2 Li2 C41 -179.3(4) . . . . ?
C55 Nd2 Li2 C41 23.7(4) . . . . ?
C58 Nd2 Li2 C41 133.7(3) . . . . ?
C56 Nd2 Li2 C41 58.1(4) . . . . ?
N5 Nd2 Li2 C41 37.9(2) . . . . ?
C33 O1 Li1 N1 -26.3(11) . . . . ?
C36 O1 Li1 N1 172.4(6) . . . . ?
C33 O1 Li1 N4 -177.0(7) . . . . ?
C36 O1 Li1 N4 21.6(12) . . . . ?
C33 O1 Li1 N3 109.3(7) . . . . ?
C36 O1 Li1 N3 -52.0(9) . . . . ?
C33 O1 Li1 C21 145.7(6) . . . . ?
C36 O1 Li1 C21 -15.7(10) . . . . ?
C33 O1 Li1 Nd1 56(2) . . . . ?
C36 O1 Li1 Nd1 -105.8(18) . . . . ?
C1 N1 Li1 O1 73.2(8) . . . . ?
C7 N1 Li1 O1 -66.9(9) . . . . ?
Nd1 N1 Li1 O1 157.9(8) . . . . ?
C1 N1 Li1 N4 -129.2(5) . . . . ?
C7 N1 Li1 N4 90.7(6) . . . . ?
Nd1 N1 Li1 N4 -44.6(4) . . . . ?
C1 N1 Li1 N3 -63.8(8) . . . . ?
C7 N1 Li1 N3 156.1(6) . . . . ?
Nd1 N1 Li1 N3 20.9(5) . . . . ?
C1 N1 Li1 C21 -98.4(8) . . . . ?
C7 N1 Li1 C21 121.4(6) . . . . ?
Nd1 N1 Li1 C21 -13.8(6) . . . . ?
C1 N1 Li1 Nd1 -84.7(4) . . . . ?
C7 N1 Li1 Nd1 135.2(5) . . . . ?
C21 N4 Li1 O1 -78.0(9) . . . . ?
C30 N4 Li1 O1 47.9(14) . . . . ?
Nd1 N4 Li1 O1 -163.1(9) . . . . ?
C21 N4 Li1 N1 127.4(5) . . . . ?
C30 N4 Li1 N1 -106.6(8) . . . . ?
Nd1 N4 Li1 N1 42.3(4) . . . . ?
C21 N4 Li1 N3 21.1(4) . . . . ?
C30 N4 Li1 N3 147.1(8) . . . . ?
Nd1 N4 Li1 N3 -63.9(2) . . . . ?
C30 N4 Li1 C21 125.9(9) . . . . ?
Nd1 N4 Li1 C21 -85.1(4) . . . . ?
C21 N4 Li1 Nd1 85.1(3) . . . . ?
C30 N4 Li1 Nd1 -149.0(8) . . . . ?
C21 N3 Li1 O1 103.4(7) . . . . ?
C27 N3 Li1 O1 -19.7(11) . . . . ?
Nd1 N3 Li1 O1 -161.7(7) . . . . ?
C21 N3 Li1 N1 -116.4(7) . . . . ?
C27 N3 Li1 N1 120.5(7) . . . . ?
Nd1 N3 Li1 N1 -21.4(5) . . . . ?
C21 N3 Li1 N4 -21.5(4) . . . . ?
C27 N3 Li1 N4 -144.6(6) . . . . ?
Nd1 N3 Li1 N4 73.5(3) . . . . ?
C27 N3 Li1 C21 -123.1(7) . . . . ?
Nd1 N3 Li1 C21 95.0(4) . . . . ?
C21 N3 Li1 Nd1 -95.0(4) . . . . ?
C27 N3 Li1 Nd1 141.9(7) . . . . ?
N3 C21 Li1 O1 -92.8(7) . . . . ?
N4 C21 Li1 O1 123.4(8) . . . . ?
C22 C21 Li1 O1 17.1(15) . . . . ?
Nd1 C21 Li1 O1 -159.0(7) . . . . ?
N3 C21 Li1 N1 79.2(7) . . . . ?
N4 C21 Li1 N1 -64.6(7) . . . . ?
C22 C21 Li1 N1 -170.9(9) . . . . ?
Nd1 C21 Li1 N1 13.0(5) . . . . ?
N3 C21 Li1 N4 143.8(6) . . . . ?
C22 C21 Li1 N4 -106.3(12) . . . . ?
Nd1 C21 Li1 N4 77.6(4) . . . . ?
N4 C21 Li1 N3 -143.8(6) . . . . ?
C22 C21 Li1 N3 109.9(12) . . . . ?
Nd1 C21 Li1 N3 -66.2(3) . . . . ?
N3 C21 Li1 Nd1 66.2(3) . . . . ?
N4 C21 Li1 Nd1 -77.6(4) . . . . ?
C22 C21 Li1 Nd1 176.1(11) . . . . ?
N3 Nd1 Li1 O1 62.7(18) . . . . ?
N2 Nd1 Li1 O1 -37.7(18) . . . . ?
N1 Nd1 Li1 O1 -93.5(19) . . . . ?
C14 Nd1 Li1 O1 -177.4(17) . . . . ?
C18 Nd1 Li1 O1 21(2) . . . . ?
C19 Nd1 Li1 O1 71(2) . . . . ?
C17 Nd1 Li1 O1 -48(2) . . . . ?
C15 Nd1 Li1 O1 -141.8(17) . . . . ?
C20 Nd1 Li1 O1 110.4(18) . . . . ?
C16 Nd1 Li1 O1 -101.1(18) . . . . ?
C13 Nd1 Li1 O1 147.1(18) . . . . ?
N4 Nd1 Li1 O1 137(2) . . . . ?
N3 Nd1 Li1 N1 156.3(6) . . . . ?
N2 Nd1 Li1 N1 55.8(3) . . . . ?
C14 Nd1 Li1 N1 -83.9(4) . . . . ?
C18 Nd1 Li1 N1 114.1(6) . . . . ?
C19 Nd1 Li1 N1 164.5(4) . . . . ?
C17 Nd1 Li1 N1 45.5(8) . . . . ?
C15 Nd1 Li1 N1 -48.3(6) . . . . ?
C20 Nd1 Li1 N1 -156.1(3) . . . . ?
C16 Nd1 Li1 N1 -7.5(7) . . . . ?
C13 Nd1 Li1 N1 -119.3(4) . . . . ?
N4 Nd1 Li1 N1 -129.5(6) . . . . ?
N3 Nd1 Li1 N4 -74.3(4) . . . . ?
N2 Nd1 Li1 N4 -174.7(4) . . . . ?
N1 Nd1 Li1 N4 129.5(6) . . . . ?
C14 Nd1 Li1 N4 45.6(5) . . . . ?
C18 Nd1 Li1 N4 -116.5(7) . . . . ?
C19 Nd1 Li1 N4 -66.0(6) . . . . ?
C17 Nd1 Li1 N4 175.0(4) . . . . ?
C15 Nd1 Li1 N4 81.2(5) . . . . ?
C20 Nd1 Li1 N4 -26.6(5) . . . . ?
C16 Nd1 Li1 N4 121.9(5) . . . . ?
C13 Nd1 Li1 N4 10.1(5) . . . . ?
N2 Nd1 Li1 N3 -100.4(4) . . . . ?
N1 Nd1 Li1 N3 -156.3(6) . . . . ?
C14 Nd1 Li1 N3 119.9(4) . . . . ?
C18 Nd1 Li1 N3 -42.2(8) . . . . ?
C19 Nd1 Li1 N3 8.2(7) . . . . ?
C17 Nd1 Li1 N3 -110.7(6) . . . . ?
C15 Nd1 Li1 N3 155.5(3) . . . . ?
C20 Nd1 Li1 N3 47.7(5) . . . . ?
C16 Nd1 Li1 N3 -163.8(4) . . . . ?
C13 Nd1 Li1 N3 84.4(4) . . . . ?
N4 Nd1 Li1 N3 74.3(4) . . . . ?
N3 Nd1 Li1 C21 -36.8(3) . . . . ?
N2 Nd1 Li1 C21 -137.2(4) . . . . ?
N1 Nd1 Li1 C21 167.0(6) . . . . ?
C14 Nd1 Li1 C21 83.1(4) . . . . ?
C18 Nd1 Li1 C21 -79.0(7) . . . . ?
C19 Nd1 Li1 C21 -28.5(7) . . . . ?
C17 Nd1 Li1 C21 -147.5(5) . . . . ?
C15 Nd1 Li1 C21 118.7(4) . . . . ?
C20 Nd1 Li1 C21 10.9(5) . . . . ?
C16 Nd1 Li1 C21 159.4(4) . . . . ?
C13 Nd1 Li1 C21 47.6(4) . . . . ?
N4 Nd1 Li1 C21 37.5(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.843
_refine_diff_density_min         -1.068
_refine_diff_density_rms         0.101

####################################################################### 
# 
# 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_magd126
_database_code_depnum_ccdc_archive 'CCDC 1057408'
_audit_update_record             
;
2015-04-01 deposited with the CCDC.
2016-06-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H54 Ce2 N4'
_chemical_formula_weight         871.11

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ce Ce -1.8482 9.6596 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'

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'

_cell_length_a                   19.23876(16)
_cell_length_b                   19.87633(16)
_cell_length_c                   9.97581(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.8124(9)
_cell_angle_gamma                90.00
_cell_volume                     3758.90(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    53892
_cell_measurement_theta_min      3.1910
_cell_measurement_theta_max      75.5320

_exptl_crystal_description       needle
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1752
_exptl_absorpt_coefficient_mu    18.699
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0775
_exptl_absorpt_correction_T_max  0.4000
_exptl_absorpt_process_details   
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Atlas, Nova'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3543
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            157545
_diffrn_reflns_av_R_equivalents  0.0744
_diffrn_reflns_av_sigmaI/netI    0.0217
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         3.22
_diffrn_reflns_theta_max         75.90
_reflns_number_total             7809
_reflns_number_gt                7476
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
;
_computing_cell_refinement       
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
;
_computing_data_reduction        
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker XP'
_computing_publication_material  SHELXL-97

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_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)+(0.0512P)²+14.6597P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7809
_refine_ls_number_parameters     441
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0442
_refine_ls_wR_factor_ref         0.1091
_refine_ls_wR_factor_gt          0.1077
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_restrained_S_all      1.160
_refine_ls_shift/su_max          0.002
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ce1 Ce 0.426178(13) 0.556978(12) 1.02803(3) 0.02136(9) Uani 1 1 d . . .
Ce2 Ce 0.048540(13) 0.432266(14) 0.59521(3) 0.02496(9) Uani 1 1 d . . .
N1 N 0.4354(2) 0.4323(2) 0.9348(5) 0.0304(9) Uani 1 1 d . . .
N2 N 0.4920(4) 0.4186(4) 1.1518(5) 0.065(2) Uani 1 1 d . . .
N3 N 0.0390(2) 0.5643(3) 0.6461(5) 0.0385(12) Uani 1 1 d . . .
N4 N 0.0933(2) 0.5392(2) 0.4696(4) 0.0228(8) Uani 1 1 d . . .
C1 C 0.4376(3) 0.4028(3) 1.0575(6) 0.0347(12) Uani 1 1 d . . .
C2 C 0.3818(3) 0.3581(3) 1.0838(6) 0.0384(13) Uani 1 1 d . . .
C3 C 0.3308(3) 0.3287(3) 1.1058(6) 0.0348(12) Uani 1 1 d . A .
C4 C 0.2693(3) 0.2936(3) 1.1347(6) 0.0371(13) Uani 1 1 d . . .
H4 H 0.2501 0.2578 1.0682 0.045 Uiso 1 1 calc R A .
C5 C 0.2156(4) 0.3323(3) 1.1972(8) 0.0548(18) Uani 1 1 d . A .
H5A H 0.2253 0.3803 1.2188 0.066 Uiso 1 1 calc R . .
H5B H 0.1652 0.3211 1.1672 0.066 Uiso 1 1 calc R . .
C6 C 0.2610(4) 0.2814(3) 1.2796(7) 0.0464(15) Uani 1 1 d . A .
H6A H 0.2386 0.2387 1.3006 0.056 Uiso 1 1 calc R . .
H6B H 0.2986 0.2979 1.3522 0.056 Uiso 1 1 calc R . .
C7 C 0.3832(3) 0.4056(3) 0.8198(6) 0.0337(11) Uani 1 1 d . . .
H7 H 0.3364 0.4012 0.8498 0.040 Uiso 1 1 calc R . .
C8 C 0.4057(3) 0.3367(3) 0.7750(7) 0.0413(13) Uani 1 1 d . . .
H8A H 0.4090 0.3051 0.8512 0.062 Uiso 1 1 calc R . .
H8B H 0.4517 0.3405 0.7462 0.062 Uiso 1 1 calc R . .
H8C H 0.3707 0.3204 0.6989 0.062 Uiso 1 1 calc R . .
C9 C 0.3765(3) 0.4553(4) 0.7030(7) 0.0472(15) Uani 1 1 d . . .
H9A H 0.3635 0.4996 0.7342 0.071 Uiso 1 1 calc R . .
H9B H 0.3400 0.4399 0.6286 0.071 Uiso 1 1 calc R . .
H9C H 0.4217 0.4586 0.6705 0.071 Uiso 1 1 calc R . .
C10 C 0.5060(5) 0.3746(6) 1.2894(8) 0.036(2) Uani 0.662(14) 1 d P A 1
H10 H 0.4835 0.3295 1.2693 0.043 Uiso 0.662(14) 1 calc PR A 1
C11 C 0.4647(6) 0.4128(6) 1.3873(9) 0.049(3) Uani 0.662(14) 1 d P A 1
H11A H 0.4152 0.4177 1.3441 0.073 Uiso 0.662(14) 1 calc PR A 1
H11B H 0.4855 0.4574 1.4073 0.073 Uiso 0.662(14) 1 calc PR A 1
H11C H 0.4672 0.3873 1.4721 0.073 Uiso 0.662(14) 1 calc PR A 1
C12 C 0.5830(5) 0.3639(5) 1.3480(9) 0.039(2) Uani 0.662(14) 1 d P A 1
H12A H 0.6058 0.3390 1.2825 0.058 Uiso 0.662(14) 1 calc PR A 1
H12B H 0.5869 0.3380 1.4326 0.058 Uiso 0.662(14) 1 calc PR A 1
H12C H 0.6061 0.4076 1.3668 0.058 Uiso 0.662(14) 1 calc PR A 1
C10' C 0.4762(15) 0.4075(14) 1.283(3) 0.062(7) Uiso 0.338(14) 1 d P A 2
H10' H 0.4237 0.4067 1.2755 0.074 Uiso 0.338(14) 1 calc PR A 2
C11' C 0.5013(18) 0.4458(16) 1.384(3) 0.084(9) Uiso 0.338(14) 1 d P A 2
H11D H 0.4819 0.4913 1.3671 0.126 Uiso 0.338(14) 1 calc PR A 2
H11E H 0.5528 0.4476 1.3930 0.126 Uiso 0.338(14) 1 calc PR A 2
H11F H 0.4882 0.4279 1.4674 0.126 Uiso 0.338(14) 1 calc PR A 2
C12' C 0.5032(13) 0.3326(13) 1.292(3) 0.056(6) Uiso 0.338(14) 1 d P A 2
H12D H 0.4812 0.3079 1.2112 0.085 Uiso 0.338(14) 1 calc PR A 2
H12E H 0.4906 0.3113 1.3736 0.085 Uiso 0.338(14) 1 calc PR A 2
H12F H 0.5545 0.3320 1.2984 0.085 Uiso 0.338(14) 1 calc PR A 2
C13 C 0.2924(3) 0.5222(3) 1.0464(6) 0.0384(13) Uani 1 1 d . . .
H13 H 0.2672 0.4812 1.0278 0.046 Uiso 1 1 calc R . .
C14 C 0.3274(3) 0.5258(4) 1.1811(7) 0.0453(15) Uani 1 1 d . . .
H14 H 0.3189 0.4871 1.2320 0.054 Uiso 1 1 calc R . .
C15 C 0.3718(3) 0.5721(4) 1.2600(7) 0.0480(17) Uani 1 1 d . . .
H15 H 0.3873 0.5570 1.3505 0.058 Uiso 1 1 calc R . .
C16 C 0.3984(3) 0.6356(4) 1.2348(7) 0.0464(16) Uani 1 1 d . . .
H16 H 0.4272 0.6539 1.3131 0.056 Uiso 1 1 calc R . .
C17 C 0.3930(3) 0.6780(3) 1.1239(9) 0.0526(18) Uani 1 1 d . . .
H17 H 0.4191 0.7184 1.1438 0.063 Uiso 1 1 calc R . .
C18 C 0.3576(4) 0.6753(3) 0.9875(10) 0.065(2) Uani 1 1 d . . .
H18 H 0.3658 0.7139 0.9361 0.078 Uiso 1 1 calc R . .
C19 C 0.3122(4) 0.6272(4) 0.9103(9) 0.062(2) Uani 1 1 d . . .
H19 H 0.2960 0.6421 0.8199 0.075 Uiso 1 1 calc R . .
C20 C 0.2855(3) 0.5635(3) 0.9342(8) 0.0496(17) Uani 1 1 d . . .
H20 H 0.2565 0.5449 0.8564 0.059 Uiso 1 1 calc R . .
C21 C 0.0911(2) 0.5792(3) 0.5772(5) 0.0267(10) Uani 1 1 d . . .
C22 C 0.1381(3) 0.6357(3) 0.6091(6) 0.0320(11) Uani 1 1 d . . .
C23 C 0.1765(3) 0.6836(3) 0.6283(5) 0.0282(10) Uani 1 1 d . B .
C24 C 0.2218(3) 0.7412(3) 0.6512(5) 0.0274(10) Uani 1 1 d . . .
H24 H 0.2662 0.7390 0.6116 0.033 Uiso 1 1 calc R B .
C25 C 0.1889(3) 0.8096(3) 0.6543(7) 0.0417(14) Uani 1 1 d . B .
H25A H 0.2118 0.8476 0.6147 0.050 Uiso 1 1 calc R . .
H25B H 0.1368 0.8122 0.6416 0.050 Uiso 1 1 calc R . .
C26 C 0.2262(3) 0.7801(3) 0.7819(6) 0.0364(12) Uani 1 1 d . B .
H26A H 0.1974 0.7642 0.8489 0.044 Uiso 1 1 calc R . .
H26B H 0.2725 0.7996 0.8220 0.044 Uiso 1 1 calc R . .
C27 C 0.0363(4) 0.6170(5) 0.7598(8) 0.026(2) Uani 0.622(16) 1 d P B 1
H27 H 0.0453 0.6628 0.7245 0.032 Uiso 0.622(16) 1 calc PR B 1
C28 C 0.0927(5) 0.6010(8) 0.8807(10) 0.043(3) Uani 0.622(16) 1 d PU B 1
H28A H 0.1391 0.6022 0.8529 0.065 Uiso 0.622(16) 1 calc PR B 1
H28B H 0.0843 0.5561 0.9151 0.065 Uiso 0.622(16) 1 calc PR B 1
H28C H 0.0911 0.6343 0.9525 0.065 Uiso 0.622(16) 1 calc PR B 1
C29 C -0.0363(5) 0.6158(5) 0.7990(9) 0.035(3) Uani 0.622(16) 1 d P B 1
H29A H -0.0716 0.6282 0.7202 0.052 Uiso 0.622(16) 1 calc PR B 1
H29B H -0.0379 0.6480 0.8729 0.052 Uiso 0.622(16) 1 calc PR B 1
H29C H -0.0462 0.5705 0.8295 0.052 Uiso 0.622(16) 1 calc PR B 1
C27' C 0.0329(8) 0.5793(9) 0.7914(15) 0.029(4) Uiso 0.378(16) 1 d P B 2
H27' H -0.0024 0.5459 0.8129 0.035 Uiso 0.378(16) 1 calc PR B 2
C28' C 0.0943(13) 0.5678(12) 0.895(2) 0.053(6) Uiso 0.378(16) 1 d P B 2
H28D H 0.1139 0.5233 0.8818 0.079 Uiso 0.378(16) 1 calc PR B 2
H28E H 0.0805 0.5700 0.9851 0.079 Uiso 0.378(16) 1 calc PR B 2
H28F H 0.1298 0.6024 0.8881 0.079 Uiso 0.378(16) 1 calc PR B 2
C29' C -0.0046(9) 0.6441(8) 0.7866(16) 0.033(4) Uiso 0.378(16) 1 d P B 2
H29D H -0.0394 0.6467 0.7027 0.050 Uiso 0.378(16) 1 calc PR B 2
H29E H 0.0294 0.6810 0.7885 0.050 Uiso 0.378(16) 1 calc PR B 2
H29F H -0.0286 0.6477 0.8653 0.050 Uiso 0.378(16) 1 calc PR B 2
C30 C 0.1506(3) 0.5544(2) 0.3914(5) 0.0261(10) Uani 1 1 d . B .
H30 H 0.1537 0.6043 0.3816 0.031 Uiso 1 1 calc R . .
C31 C 0.1344(3) 0.5239(3) 0.2515(6) 0.0378(13) Uani 1 1 d . . .
H31A H 0.0884 0.5401 0.2051 0.057 Uiso 1 1 calc R B .
H31B H 0.1332 0.4748 0.2590 0.057 Uiso 1 1 calc R . .
H31C H 0.1710 0.5370 0.1991 0.057 Uiso 1 1 calc R . .
C32 C 0.2215(3) 0.5290(3) 0.4673(6) 0.0389(13) Uani 1 1 d . . .
H32A H 0.2314 0.5498 0.5576 0.058 Uiso 1 1 calc R B .
H32B H 0.2589 0.5409 0.4160 0.058 Uiso 1 1 calc R . .
H32C H 0.2198 0.4800 0.4770 0.058 Uiso 1 1 calc R . .
C33 C 0.1006(5) 0.3117(5) 0.5314(9) 0.073(3) Uani 1 1 d U . .
H33 H 0.1049 0.2898 0.4487 0.088 Uiso 1 1 calc R B .
C34 C 0.0371(4) 0.2969(3) 0.5737(7) 0.0485(16) Uani 1 1 d U B .
H34 H 0.0084 0.2679 0.5116 0.058 Uiso 1 1 calc R . .
C35 C 0.0048(3) 0.3139(3) 0.6846(6) 0.0372(12) Uani 1 1 d U . .
H35 H -0.0408 0.2947 0.6791 0.045 Uiso 1 1 calc R B .
C36 C 0.0247(4) 0.3525(3) 0.8013(7) 0.0504(16) Uani 1 1 d U B .
H36 H -0.0104 0.3531 0.8579 0.061 Uiso 1 1 calc R . .
C37 C 0.0838(5) 0.3906(5) 0.8546(7) 0.079(3) Uani 1 1 d U . .
H37 H 0.0800 0.4120 0.9383 0.095 Uiso 1 1 calc R B .
C38 C 0.1505(5) 0.4044(5) 0.8080(11) 0.097(4) Uani 1 1 d U B .
H38 H 0.1817 0.4320 0.8688 0.116 Uiso 1 1 calc R . .
C39 C 0.1791(4) 0.3846(6) 0.6874(13) 0.089(3) Uani 1 1 d U . .
H39 H 0.2252 0.4019 0.6886 0.106 Uiso 1 1 calc R B .
C40 C 0.1571(5) 0.3493(6) 0.5785(12) 0.088(3) Uani 1 1 d U B .
H40 H 0.1896 0.3505 0.5167 0.106 Uiso 1 1 calc R . .


_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
Ce1 N2 2.625(5) 3_667 ?
Ce1 N1 2.634(4) 3_667 ?
Ce1 N1 2.664(4) . ?
Ce1 C18 2.694(7) . ?
Ce1 C19 2.694(7) . ?
Ce1 C13 2.702(5) . ?
Ce1 C17 2.705(6) . ?
Ce1 C14 2.706(6) . ?
Ce1 C16 2.712(6) . ?
Ce1 C20 2.712(6) . ?
Ce1 C15 2.713(6) . ?
Ce1 C1 3.000(5) 3_667 ?
Ce2 N4 2.683(4) . ?
Ce2 N3 2.685(5) . ?
Ce2 C40 2.689(8) . ?
Ce2 C38 2.691(8) . ?
Ce2 C37 2.691(7) . ?
Ce2 N3 2.694(5) 3_566 ?
Ce2 C39 2.695(8) . ?
Ce2 C36 2.696(6) . ?
Ce2 C35 2.701(6) . ?
Ce2 C34 2.705(7) . ?
Ce2 C33 2.714(8) . ?
Ce2 N4 2.754(4) 3_566 ?
N1 C1 1.350(8) . ?
N1 C7 1.487(7) . ?
N1 Ce1 2.635(4) 3_667 ?
N2 C1 1.321(9) . ?
N2 C10' 1.41(3) . ?
N2 C10 1.611(11) . ?
N2 Ce1 2.625(5) 3_667 ?
N3 C21 1.342(7) . ?
N3 C27' 1.503(15) . ?
N3 C27 1.552(9) . ?
N3 Ce2 2.694(5) 3_566 ?
N4 C21 1.342(6) . ?
N4 C30 1.486(6) . ?
N4 Ce2 2.754(4) 3_566 ?
C1 C2 1.452(7) . ?
C1 Ce1 3.000(5) 3_667 ?
C2 C3 1.194(8) . ?
C3 C4 1.443(7) . ?
C4 C6 1.501(8) . ?
C4 C5 1.505(8) . ?
C5 C6 1.488(10) . ?
C7 C9 1.516(8) . ?
C7 C8 1.526(8) . ?
C10 C12 1.512(13) . ?
C10 C11 1.558(13) . ?
C10' C11' 1.29(4) . ?
C10' C12' 1.57(4) . ?
C13 C20 1.376(10) . ?
C13 C14 1.399(9) . ?
C14 C15 1.403(8) . ?
C15 C16 1.400(10) . ?
C16 C17 1.381(11) . ?
C17 C18 1.414(11) . ?
C18 C19 1.430(11) . ?
C19 C20 1.402(10) . ?
C21 C22 1.443(7) . ?
C21 Ce2 2.942(5) 3_566 ?
C22 C23 1.201(8) . ?
C23 C24 1.433(7) . ?
C24 C25 1.502(7) . ?
C24 C26 1.506(7) . ?
C25 C26 1.472(9) . ?
C27 C29 1.513(12) . ?
C27 C28 1.512(13) . ?
C27' C28' 1.45(3) . ?
C27' C29' 1.47(2) . ?
C30 C31 1.505(8) . ?
C30 C32 1.529(7) . ?
C33 C40 1.336(16) . ?
C33 C34 1.391(12) . ?
C34 C35 1.399(9) . ?
C35 C36 1.393(9) . ?
C36 C37 1.394(10) . ?
C37 C38 1.465(15) . ?
C38 C39 1.459(17) . ?
C39 C40 1.302(17) . ?

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
N2 Ce1 N1 51.08(19) 3_667 3_667 ?
N2 Ce1 N1 81.40(18) 3_667 . ?
N1 Ce1 N1 89.93(14) 3_667 . ?
N2 Ce1 C18 94.1(3) 3_667 . ?
N1 Ce1 C18 114.1(2) 3_667 . ?
N1 Ce1 C18 145.1(2) . . ?
N2 Ce1 C19 98.3(3) 3_667 . ?
N1 Ce1 C19 138.4(2) 3_667 . ?
N1 Ce1 C19 115.3(2) . . ?
C18 Ce1 C19 30.8(2) . . ?
N2 Ce1 C13 141.51(19) 3_667 . ?
N1 Ce1 C13 164.44(17) 3_667 . ?
N1 Ce1 C13 84.63(15) . . ?
C18 Ce1 C13 77.6(2) . . ?
C19 Ce1 C13 56.5(2) . . ?
N2 Ce1 C17 106.4(2) 3_667 . ?
N1 Ce1 C17 99.91(17) 3_667 . ?
N1 Ce1 C17 169.94(17) . . ?
C18 Ce1 C17 30.4(2) . . ?
C19 Ce1 C17 58.0(2) . . ?
C13 Ce1 C17 85.32(19) . . ?
N2 Ce1 C14 171.39(18) 3_667 . ?
N1 Ce1 C14 136.88(18) 3_667 . ?
N1 Ce1 C14 94.51(17) . . ?
C18 Ce1 C14 84.9(3) . . ?
C19 Ce1 C14 76.5(3) . . ?
C13 Ce1 C14 29.98(19) . . ?
C17 Ce1 C14 76.9(2) . . ?
N2 Ce1 C16 129.2(2) 3_667 . ?
N1 Ce1 C16 99.90(16) 3_667 . ?
N1 Ce1 C16 146.60(19) . . ?
C18 Ce1 C16 57.0(3) . . ?
C19 Ce1 C16 77.4(2) . . ?
C13 Ce1 C16 77.42(18) . . ?
C17 Ce1 C16 29.5(2) . . ?
C14 Ce1 C16 56.9(2) . . ?
N2 Ce1 C20 115.8(2) 3_667 . ?
N1 Ce1 C20 166.0(2) 3_667 . ?
N1 Ce1 C20 92.62(17) . . ?
C18 Ce1 C20 58.1(2) . . ?
C19 Ce1 C20 30.1(2) . . ?
C13 Ce1 C20 29.4(2) . . ?
C17 Ce1 C20 78.33(19) . . ?
C14 Ce1 C20 56.6(2) . . ?
C16 Ce1 C20 85.4(2) . . ?
N2 Ce1 C15 157.70(18) 3_667 . ?
N1 Ce1 C15 113.47(17) 3_667 . ?
N1 Ce1 C15 117.31(19) . . ?
C18 Ce1 C15 77.4(3) . . ?
C19 Ce1 C15 84.9(3) . . ?
C13 Ce1 C15 57.34(18) . . ?
C17 Ce1 C15 56.8(2) . . ?
C14 Ce1 C15 30.01(18) . . ?
C16 Ce1 C15 29.9(2) . . ?
C20 Ce1 C15 77.4(2) . . ?
N2 Ce1 C1 26.09(17) 3_667 3_667 ?
N1 Ce1 C1 26.74(16) 3_667 3_667 ?
N1 Ce1 C1 92.02(13) . 3_667 ?
C18 Ce1 C1 98.9(2) . 3_667 ?
C19 Ce1 C1 115.1(2) . 3_667 ?
C13 Ce1 C1 167.50(18) . 3_667 ?
C17 Ce1 C1 97.71(18) . 3_667 ?
C14 Ce1 C1 162.48(18) . 3_667 ?
C16 Ce1 C1 110.98(17) . 3_667 ?
C20 Ce1 C1 139.3(2) . 3_667 ?
C15 Ce1 C1 134.06(17) . 3_667 ?
N4 Ce2 N3 49.61(13) . . ?
N4 Ce2 C40 98.2(2) . . ?
N3 Ce2 C40 133.6(3) . . ?
N4 Ce2 C38 106.4(2) . . ?
N3 Ce2 C38 96.6(3) . . ?
C40 Ce2 C38 56.9(4) . . ?
N4 Ce2 C37 130.14(18) . . ?
N3 Ce2 C37 97.6(2) . . ?
C40 Ce2 C37 78.5(3) . . ?
C38 Ce2 C37 31.6(3) . . ?
N4 Ce2 N3 76.33(14) . 3_566 ?
N3 Ce2 N3 95.26(13) . 3_566 ?
C40 Ce2 N3 109.5(3) . 3_566 ?
C38 Ce2 N3 166.2(3) . 3_566 ?
C37 Ce2 N3 152.1(2) . 3_566 ?
N4 Ce2 C39 94.77(19) . . ?
N3 Ce2 C39 111.6(3) . . ?
C40 Ce2 C39 28.0(4) . . ?
C38 Ce2 C39 31.4(4) . . ?
C37 Ce2 C39 59.8(3) . . ?
N3 Ce2 C39 135.9(3) 3_566 . ?
N4 Ce2 C36 158.71(17) . . ?
N3 Ce2 C36 113.82(18) . . ?
C40 Ce2 C36 85.5(2) . . ?
C38 Ce2 C36 58.3(3) . . ?
C37 Ce2 C36 30.0(2) . . ?
N3 Ce2 C36 122.33(19) 3_566 . ?
C39 Ce2 C36 78.7(2) . . ?
N4 Ce2 C35 170.82(16) . . ?
N3 Ce2 C35 138.92(16) . . ?
C40 Ce2 C35 77.0(3) . . ?
C38 Ce2 C35 77.7(2) . . ?
C37 Ce2 C35 57.1(2) . . ?
N3 Ce2 C35 97.75(17) 3_566 . ?
C39 Ce2 C35 84.6(2) . . ?
C36 Ce2 C35 29.91(19) . . ?
N4 Ce2 C34 141.19(17) . . ?
N3 Ce2 C34 168.45(18) . . ?
C40 Ce2 C34 55.9(3) . . ?
C38 Ce2 C34 84.1(3) . . ?
C37 Ce2 C34 76.9(2) . . ?
N3 Ce2 C34 85.66(18) 3_566 . ?
C39 Ce2 C34 74.7(3) . . ?
C36 Ce2 C34 56.9(2) . . ?
C35 Ce2 C34 29.98(19) . . ?
N4 Ce2 C33 115.4(2) . . ?
N3 Ce2 C33 161.3(2) . . ?
C40 Ce2 C33 28.6(3) . . ?
C38 Ce2 C33 75.8(4) . . ?
C37 Ce2 C33 84.9(3) . . ?
N3 Ce2 C33 90.7(2) 3_566 . ?
C39 Ce2 C33 53.9(4) . . ?
C36 Ce2 C33 77.1(2) . . ?
C35 Ce2 C33 57.1(2) . . ?
C34 Ce2 C33 29.7(3) . . ?
N4 Ce2 N4 96.39(11) . 3_566 ?
N3 Ce2 N4 75.29(13) . 3_566 ?
C40 Ce2 N4 149.4(3) . 3_566 ?
C38 Ce2 N4 142.0(3) . 3_566 ?
C37 Ce2 N4 111.5(3) . 3_566 ?
N3 Ce2 N4 48.82(12) 3_566 3_566 ?
C39 Ce2 N4 168.80(18) . 3_566 ?
C36 Ce2 N4 90.52(19) . 3_566 ?
C35 Ce2 N4 84.56(14) . 3_566 ?
C34 Ce2 N4 97.01(17) . 3_566 ?
C33 Ce2 N4 121.2(3) . 3_566 ?
C1 N1 C7 117.2(4) . . ?
C1 N1 Ce1 91.9(3) . 3_667 ?
C7 N1 Ce1 132.1(3) . 3_667 ?
C1 N1 Ce1 94.6(3) . . ?
C7 N1 Ce1 121.6(3) . . ?
Ce1 N1 Ce1 90.07(14) 3_667 . ?
C1 N2 C10' 110.7(12) . . ?
C1 N2 C10 118.4(5) . . ?
C10' N2 C10 32.4(11) . . ?
C1 N2 Ce1 93.0(3) . 3_667 ?
C10' N2 Ce1 155.8(12) . 3_667 ?
C10 N2 Ce1 130.6(5) . 3_667 ?
C21 N3 C27' 129.6(7) . . ?
C21 N3 C27 110.2(5) . . ?
C27' N3 C27 31.1(6) . . ?
C21 N3 Ce2 92.1(3) . . ?
C27' N3 Ce2 113.3(7) . . ?
C27 N3 Ce2 144.2(5) . . ?
C21 N3 Ce2 86.8(3) . 3_566 ?
C27' N3 Ce2 135.8(6) . 3_566 ?
C27 N3 Ce2 122.8(4) . 3_566 ?
Ce2 N3 Ce2 84.74(13) . 3_566 ?
C21 N4 C30 115.3(4) . . ?
C21 N4 Ce2 92.2(3) . . ?
C30 N4 Ce2 137.0(3) . . ?
C21 N4 Ce2 84.3(3) . 3_566 ?
C30 N4 Ce2 129.0(3) . 3_566 ?
Ce2 N4 Ce2 83.61(11) . 3_566 ?
N2 C1 N1 116.2(5) . . ?
N2 C1 C2 122.5(6) . . ?
N1 C1 C2 121.3(6) . . ?
N2 C1 Ce1 60.9(3) . 3_667 ?
N1 C1 Ce1 61.4(3) . 3_667 ?
C2 C1 Ce1 157.4(4) . 3_667 ?
N2 C1 Ce1 82.4(4) . . ?
N1 C1 Ce1 59.5(3) . . ?
C2 C1 Ce1 125.7(4) . . ?
Ce1 C1 Ce1 76.10(12) 3_667 . ?
C3 C2 C1 171.4(6) . . ?
C2 C3 C4 179.0(7) . . ?
C3 C4 C6 119.8(5) . . ?
C3 C4 C5 118.6(5) . . ?
C6 C4 C5 59.3(5) . . ?
C6 C5 C4 60.2(4) . . ?
C5 C6 C4 60.5(4) . . ?
N1 C7 C9 108.6(5) . . ?
N1 C7 C8 111.0(4) . . ?
C9 C7 C8 110.6(5) . . ?
C12 C10 C11 113.4(8) . . ?
C12 C10 N2 114.6(7) . . ?
C11 C10 N2 103.9(8) . . ?
C11' C10' N2 121(3) . . ?
C11' C10' C12' 116(3) . . ?
N2 C10' C12' 94.7(19) . . ?
C20 C13 C14 135.7(6) . . ?
C20 C13 Ce1 75.7(4) . . ?
C14 C13 Ce1 75.2(3) . . ?
C13 C14 C15 136.0(7) . . ?
C13 C14 Ce1 74.9(3) . . ?
C15 C14 Ce1 75.3(3) . . ?
C16 C15 C14 134.2(7) . . ?
C16 C15 Ce1 75.0(4) . . ?
C14 C15 Ce1 74.7(3) . . ?
C17 C16 C15 135.6(6) . . ?
C17 C16 Ce1 75.0(4) . . ?
C15 C16 Ce1 75.1(3) . . ?
C16 C17 C18 134.9(6) . . ?
C16 C17 Ce1 75.5(3) . . ?
C18 C17 Ce1 74.4(4) . . ?
C17 C18 C19 133.9(7) . . ?
C17 C18 Ce1 75.3(4) . . ?
C19 C18 Ce1 74.6(4) . . ?
C20 C19 C18 136.1(7) . . ?
C20 C19 Ce1 75.7(4) . . ?
C18 C19 Ce1 74.6(4) . . ?
C13 C20 C19 133.6(6) . . ?
C13 C20 Ce1 74.9(3) . . ?
C19 C20 Ce1 74.3(4) . . ?
N4 C21 N3 114.1(4) . . ?
N4 C21 C22 122.2(5) . . ?
N3 C21 C22 123.6(5) . . ?
N4 C21 Ce2 68.7(3) . 3_566 ?
N3 C21 Ce2 66.1(3) . 3_566 ?
C22 C21 Ce2 131.6(4) . 3_566 ?
N4 C21 Ce2 61.7(3) . . ?
N3 C21 Ce2 61.7(3) . . ?
C22 C21 Ce2 153.9(4) . . ?
Ce2 C21 Ce2 74.49(11) 3_566 . ?
C23 C22 C21 176.5(6) . . ?
C22 C23 C24 179.5(5) . . ?
C23 C24 C25 118.6(5) . . ?
C23 C24 C26 119.4(5) . . ?
C25 C24 C26 58.6(4) . . ?
C26 C25 C24 60.8(4) . . ?
C25 C26 C24 60.6(4) . . ?
C29 C27 C28 111.0(7) . . ?
C29 C27 N3 109.0(6) . . ?
C28 C27 N3 109.4(7) . . ?
C28' C27' C29' 119.7(15) . . ?
C28' C27' N3 117.9(14) . . ?
C29' C27' N3 105.1(12) . . ?
N4 C30 C31 110.5(4) . . ?
N4 C30 C32 110.7(4) . . ?
C31 C30 C32 110.7(5) . . ?
C40 C33 C34 135.8(9) . . ?
C40 C33 Ce2 74.6(6) . . ?
C34 C33 Ce2 74.8(4) . . ?
C33 C34 C35 136.0(8) . . ?
C33 C34 Ce2 75.5(5) . . ?
C35 C34 Ce2 74.8(4) . . ?
C36 C35 C34 134.3(6) . . ?
C36 C35 Ce2 74.8(3) . . ?
C34 C35 Ce2 75.2(4) . . ?
C35 C36 C37 135.1(7) . . ?
C35 C36 Ce2 75.2(4) . . ?
C37 C36 Ce2 74.8(4) . . ?
C36 C37 C38 133.1(8) . . ?
C36 C37 Ce2 75.2(4) . . ?
C38 C37 Ce2 74.2(4) . . ?
C39 C38 C37 133.2(8) . . ?
C39 C38 Ce2 74.4(4) . . ?
C37 C38 Ce2 74.2(4) . . ?
C40 C39 C38 136.0(8) . . ?
C40 C39 Ce2 75.7(5) . . ?
C38 C39 Ce2 74.1(5) . . ?
C39 C40 C33 136.3(9) . . ?
C39 C40 Ce2 76.3(6) . . ?
C33 C40 Ce2 76.7(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Ce1 N1 C1 142.5(4) 3_667 . . . ?
N1 Ce1 N1 C1 91.9(3) 3_667 . . . ?
C18 Ce1 N1 C1 -132.8(5) . . . . ?
C19 Ce1 N1 C1 -122.4(4) . . . . ?
C13 Ce1 N1 C1 -73.5(3) . . . . ?
C17 Ce1 N1 C1 -76.3(13) . . . . ?
C14 Ce1 N1 C1 -45.2(4) . . . . ?
C16 Ce1 N1 C1 -16.2(5) . . . . ?
C20 Ce1 N1 C1 -101.9(4) . . . . ?
C15 Ce1 N1 C1 -24.7(4) . . . . ?
C1 Ce1 N1 C1 118.6(3) 3_667 . . . ?
N2 Ce1 N1 C7 -91.5(4) 3_667 . . . ?
N1 Ce1 N1 C7 -142.0(4) 3_667 . . . ?
C18 Ce1 N1 C7 -6.7(6) . . . . ?
C19 Ce1 N1 C7 3.7(4) . . . . ?
C13 Ce1 N1 C7 52.6(4) . . . . ?
C17 Ce1 N1 C7 49.8(13) . . . . ?
C14 Ce1 N1 C7 80.9(4) . . . . ?
C16 Ce1 N1 C7 109.9(4) . . . . ?
C20 Ce1 N1 C7 24.2(4) . . . . ?
C15 Ce1 N1 C7 101.4(4) . . . . ?
C1 Ce1 N1 C7 -115.4(4) 3_667 . . . ?
N2 Ce1 N1 Ce1 50.57(19) 3_667 . . 3_667 ?
N1 Ce1 N1 Ce1 0.0 3_667 . . 3_667 ?
C18 Ce1 N1 Ce1 135.3(4) . . . 3_667 ?
C19 Ce1 N1 Ce1 145.7(2) . . . 3_667 ?
C13 Ce1 N1 Ce1 -165.40(18) . . . 3_667 ?
C17 Ce1 N1 Ce1 -168.1(12) . . . 3_667 ?
C14 Ce1 N1 Ce1 -137.06(18) . . . 3_667 ?
C16 Ce1 N1 Ce1 -108.1(3) . . . 3_667 ?
C20 Ce1 N1 Ce1 166.2(2) . . . 3_667 ?
C15 Ce1 N1 Ce1 -116.60(18) . . . 3_667 ?
C1 Ce1 N1 Ce1 26.66(16) 3_667 . . 3_667 ?
N4 Ce2 N3 C21 -19.5(3) . . . . ?
C40 Ce2 N3 C21 36.9(5) . . . . ?
C38 Ce2 N3 C21 86.4(4) . . . . ?
C37 Ce2 N3 C21 118.2(4) . . . . ?
N3 Ce2 N3 C21 -86.6(3) 3_566 . . . ?
C39 Ce2 N3 C21 57.7(4) . . . . ?
C36 Ce2 N3 C21 144.5(3) . . . . ?
C35 Ce2 N3 C21 165.2(3) . . . . ?
C34 Ce2 N3 C21 179.3(8) . . . . ?
C33 Ce2 N3 C21 21.5(8) . . . . ?
N4 Ce2 N3 C21 -131.5(3) 3_566 . . . ?
N4 Ce2 N3 C27' -154.9(7) . . . . ?
C40 Ce2 N3 C27' -98.4(7) . . . . ?
C38 Ce2 N3 C27' -49.0(7) . . . . ?
C37 Ce2 N3 C27' -17.1(7) . . . . ?
N3 Ce2 N3 C27' 138.1(7) 3_566 . . . ?
C39 Ce2 N3 C27' -77.6(7) . . . . ?
C36 Ce2 N3 C27' 9.2(7) . . . . ?
C35 Ce2 N3 C27' 29.9(7) . . . . ?
C34 Ce2 N3 C27' 44.0(11) . . . . ?
C33 Ce2 N3 C27' -113.8(9) . . . . ?
N4 Ce2 N3 C27' 93.1(7) 3_566 . . . ?
N4 Ce2 N3 C27 -149.6(7) . . . . ?
C40 Ce2 N3 C27 -93.1(7) . . . . ?
C38 Ce2 N3 C27 -43.7(7) . . . . ?
C37 Ce2 N3 C27 -11.8(7) . . . . ?
N3 Ce2 N3 C27 143.4(7) 3_566 . . . ?
C39 Ce2 N3 C27 -72.3(7) . . . . ?
C36 Ce2 N3 C27 14.5(7) . . . . ?
C35 Ce2 N3 C27 35.2(7) . . . . ?
C34 Ce2 N3 C27 49.3(12) . . . . ?
C33 Ce2 N3 C27 -108.5(8) . . . . ?
N4 Ce2 N3 C27 98.4(6) 3_566 . . . ?
N4 Ce2 N3 Ce2 67.05(15) . . . 3_566 ?
C40 Ce2 N3 Ce2 123.5(3) . . . 3_566 ?
C38 Ce2 N3 Ce2 173.0(3) . . . 3_566 ?
C37 Ce2 N3 Ce2 -155.2(2) . . . 3_566 ?
N3 Ce2 N3 Ce2 0.0 3_566 . . 3_566 ?
C39 Ce2 N3 Ce2 144.3(3) . . . 3_566 ?
C36 Ce2 N3 Ce2 -128.88(19) . . . 3_566 ?
C35 Ce2 N3 Ce2 -108.2(2) . . . 3_566 ?
C34 Ce2 N3 Ce2 -94.1(9) . . . 3_566 ?
C33 Ce2 N3 Ce2 108.1(6) . . . 3_566 ?
N4 Ce2 N3 Ce2 -44.94(11) 3_566 . . 3_566 ?
N3 Ce2 N4 C21 19.5(3) . . . . ?
C40 Ce2 N4 C21 -122.9(4) . . . . ?
C38 Ce2 N4 C21 -65.2(4) . . . . ?
C37 Ce2 N4 C21 -41.1(5) . . . . ?
N3 Ce2 N4 C21 128.9(3) 3_566 . . . ?
C39 Ce2 N4 C21 -95.0(4) . . . . ?
C36 Ce2 N4 C21 -24.2(6) . . . . ?
C35 Ce2 N4 C21 179(19) . . . . ?
C34 Ce2 N4 C21 -166.4(3) . . . . ?
C33 Ce2 N4 C21 -147.0(4) . . . . ?
N4 Ce2 N4 C21 84.0(3) 3_566 . . . ?
N3 Ce2 N4 C30 151.5(5) . . . . ?
C40 Ce2 N4 C30 9.0(5) . . . . ?
C38 Ce2 N4 C30 66.8(5) . . . . ?
C37 Ce2 N4 C30 90.8(6) . . . . ?
N3 Ce2 N4 C30 -99.2(5) 3_566 . . . ?
C39 Ce2 N4 C30 37.0(6) . . . . ?
C36 Ce2 N4 C30 107.8(6) . . . . ?
C35 Ce2 N4 C30 -48.6(11) . . . . ?
C34 Ce2 N4 C30 -34.5(6) . . . . ?
C33 Ce2 N4 C30 -15.0(5) . . . . ?
N4 Ce2 N4 C30 -144.0(5) 3_566 . . . ?
N3 Ce2 N4 Ce2 -64.49(15) . . . 3_566 ?
C40 Ce2 N4 Ce2 153.0(3) . . . 3_566 ?
C38 Ce2 N4 Ce2 -149.2(3) . . . 3_566 ?
C37 Ce2 N4 Ce2 -125.2(3) . . . 3_566 ?
N3 Ce2 N4 Ce2 44.84(11) 3_566 . . 3_566 ?
C39 Ce2 N4 Ce2 -179.0(3) . . . 3_566 ?
C36 Ce2 N4 Ce2 -108.2(5) . . . 3_566 ?
C35 Ce2 N4 Ce2 95.4(9) . . . 3_566 ?
C34 Ce2 N4 Ce2 109.6(3) . . . 3_566 ?
C33 Ce2 N4 Ce2 129.0(3) . . . 3_566 ?
N4 Ce2 N4 Ce2 0.0 3_566 . . 3_566 ?
C10' N2 C1 N1 157.2(14) . . . . ?
C10 N2 C1 N1 -168.0(6) . . . . ?
Ce1 N2 C1 N1 -27.8(6) 3_667 . . . ?
C10' N2 C1 C2 -21.0(16) . . . . ?
C10 N2 C1 C2 13.7(10) . . . . ?
Ce1 N2 C1 C2 153.9(5) 3_667 . . . ?
C10' N2 C1 Ce1 -175.0(15) . . . 3_667 ?
C10 N2 C1 Ce1 -140.2(8) . . . 3_667 ?
C10' N2 C1 Ce1 106.8(14) . . . . ?
C10 N2 C1 Ce1 141.5(7) . . . . ?
Ce1 N2 C1 Ce1 -78.28(19) 3_667 . . . ?
C7 N1 C1 N2 168.2(5) . . . . ?
Ce1 N1 C1 N2 27.7(6) 3_667 . . . ?
Ce1 N1 C1 N2 -62.5(6) . . . . ?
C7 N1 C1 C2 -13.6(7) . . . . ?
Ce1 N1 C1 C2 -154.0(5) 3_667 . . . ?
Ce1 N1 C1 C2 115.7(5) . . . . ?
C7 N1 C1 Ce1 140.5(4) . . . 3_667 ?
Ce1 N1 C1 Ce1 -90.22(16) . . . 3_667 ?
C7 N1 C1 Ce1 -129.3(4) . . . . ?
Ce1 N1 C1 Ce1 90.22(16) 3_667 . . . ?
N2 Ce1 C1 N2 88.5(3) 3_667 . . . ?
N1 Ce1 C1 N2 38.3(3) 3_667 . . . ?
N1 Ce1 C1 N2 126.6(5) . . . . ?
C18 Ce1 C1 N2 -142.2(6) . . . . ?
C19 Ce1 C1 N2 -161.5(4) . . . . ?
C13 Ce1 C1 N2 -130.8(4) . . . . ?
C17 Ce1 C1 N2 -73.4(5) . . . . ?
C14 Ce1 C1 N2 -100.1(4) . . . . ?
C16 Ce1 C1 N2 -63.8(4) . . . . ?
C20 Ce1 C1 N2 -153.0(4) . . . . ?
C15 Ce1 C1 N2 -75.3(3) . . . . ?
C1 Ce1 C1 N2 61.8(3) 3_667 . . . ?
N2 Ce1 C1 N1 -38.0(4) 3_667 . . . ?
N1 Ce1 C1 N1 -88.3(3) 3_667 . . . ?
C18 Ce1 C1 N1 91.2(6) . . . . ?
C19 Ce1 C1 N1 72.0(4) . . . . ?
C13 Ce1 C1 N1 102.6(3) . . . . ?
C17 Ce1 C1 N1 160.0(4) . . . . ?
C14 Ce1 C1 N1 133.3(4) . . . . ?
C16 Ce1 C1 N1 169.6(3) . . . . ?
C20 Ce1 C1 N1 80.4(4) . . . . ?
C15 Ce1 C1 N1 158.2(3) . . . . ?
C1 Ce1 C1 N1 -64.7(3) 3_667 . . . ?
N2 Ce1 C1 C2 -146.6(5) 3_667 . . . ?
N1 Ce1 C1 C2 163.1(5) 3_667 . . . ?
N1 Ce1 C1 C2 -108.6(6) . . . . ?
C18 Ce1 C1 C2 -17.4(8) . . . . ?
C19 Ce1 C1 C2 -36.7(6) . . . . ?
C13 Ce1 C1 C2 -6.0(5) . . . . ?
C17 Ce1 C1 C2 51.4(7) . . . . ?
C14 Ce1 C1 C2 24.7(5) . . . . ?
C16 Ce1 C1 C2 61.0(5) . . . . ?
C20 Ce1 C1 C2 -28.2(5) . . . . ?
C15 Ce1 C1 C2 49.5(5) . . . . ?
C1 Ce1 C1 C2 -173.3(6) 3_667 . . . ?
N2 Ce1 C1 Ce1 26.71(18) 3_667 . . 3_667 ?
N1 Ce1 C1 Ce1 -23.54(14) 3_667 . . 3_667 ?
N1 Ce1 C1 Ce1 64.7(3) . . . 3_667 ?
C18 Ce1 C1 Ce1 155.9(5) . . . 3_667 ?
C19 Ce1 C1 Ce1 136.7(3) . . . 3_667 ?
C13 Ce1 C1 Ce1 167.33(18) . . . 3_667 ?
C17 Ce1 C1 Ce1 -135.2(3) . . . 3_667 ?
C14 Ce1 C1 Ce1 -161.96(19) . . . 3_667 ?
C16 Ce1 C1 Ce1 -125.63(16) . . . 3_667 ?
C20 Ce1 C1 Ce1 145.15(19) . . . 3_667 ?
C15 Ce1 C1 Ce1 -137.11(16) . . . 3_667 ?
C1 Ce1 C1 Ce1 0.0 3_667 . . 3_667 ?
N2 C1 C2 C3 104(5) . . . . ?
N1 C1 C2 C3 -74(5) . . . . ?
Ce1 C1 C2 C3 -164(4) 3_667 . . . ?
Ce1 C1 C2 C3 -1(5) . . . . ?
C1 C2 C3 C4 -76(42) . . . . ?
C2 C3 C4 C6 -15(41) . . . . ?
C2 C3 C4 C5 54(41) . . . . ?
C3 C4 C5 C6 -109.5(7) . . . . ?
C3 C4 C6 C5 107.6(6) . . . . ?
C1 N1 C7 C9 166.1(5) . . . . ?
Ce1 N1 C7 C9 -72.9(6) 3_667 . . . ?
Ce1 N1 C7 C9 51.1(5) . . . . ?
C1 N1 C7 C8 -72.2(6) . . . . ?
Ce1 N1 C7 C8 48.8(6) 3_667 . . . ?
Ce1 N1 C7 C8 172.8(3) . . . . ?
C1 N2 C10 C12 144.4(8) . . . . ?
C10' N2 C10 C12 -131(2) . . . . ?
Ce1 N2 C10 C12 21.7(11) 3_667 . . . ?
C1 N2 C10 C11 -91.3(9) . . . . ?
C10' N2 C10 C11 -7(2) . . . . ?
Ce1 N2 C10 C11 146.0(6) 3_667 . . . ?
C1 N2 C10' C11' -145(3) . . . . ?
C10 N2 C10' C11' 104(4) . . . . ?
Ce1 N2 C10' C11' 47(5) 3_667 . . . ?
C1 N2 C10' C12' 90.2(16) . . . . ?
C10 N2 C10' C12' -20.4(14) . . . . ?
Ce1 N2 C10' C12' -77(3) 3_667 . . . ?
N2 Ce1 C13 C20 -36.1(5) 3_667 . . . ?
N1 Ce1 C13 C20 -175.1(5) 3_667 . . . ?
N1 Ce1 C13 C20 -105.1(4) . . . . ?
C18 Ce1 C13 C20 44.7(4) . . . . ?
C19 Ce1 C13 C20 20.2(4) . . . . ?
C17 Ce1 C13 C20 74.5(4) . . . . ?
C14 Ce1 C13 C20 146.2(6) . . . . ?
C16 Ce1 C13 C20 103.3(4) . . . . ?
C15 Ce1 C13 C20 127.5(4) . . . . ?
C1 Ce1 C13 C20 -30.2(9) 3_667 . . . ?
N2 Ce1 C13 C14 177.6(4) 3_667 . . . ?
N1 Ce1 C13 C14 38.7(8) 3_667 . . . ?
N1 Ce1 C13 C14 108.7(4) . . . . ?
C18 Ce1 C13 C14 -101.5(4) . . . . ?
C19 Ce1 C13 C14 -126.0(5) . . . . ?
C17 Ce1 C13 C14 -71.8(4) . . . . ?
C16 Ce1 C13 C14 -42.9(4) . . . . ?
C20 Ce1 C13 C14 -146.2(6) . . . . ?
C15 Ce1 C13 C14 -18.7(4) . . . . ?
C1 Ce1 C13 C14 -176.4(7) 3_667 . . . ?
C20 C13 C14 C15 -1.7(12) . . . . ?
Ce1 C13 C14 C15 48.8(7) . . . . ?
C20 C13 C14 Ce1 -50.5(7) . . . . ?
N2 Ce1 C14 C13 -9.8(18) 3_667 . . . ?
N1 Ce1 C14 C13 -165.8(3) 3_667 . . . ?
N1 Ce1 C14 C13 -71.1(4) . . . . ?
C18 Ce1 C14 C13 73.9(4) . . . . ?
C19 Ce1 C14 C13 43.9(4) . . . . ?
C17 Ce1 C14 C13 103.6(4) . . . . ?
C16 Ce1 C14 C13 127.5(5) . . . . ?
C20 Ce1 C14 C13 19.1(4) . . . . ?
C15 Ce1 C14 C13 147.3(7) . . . . ?
C1 Ce1 C14 C13 177.4(5) 3_667 . . . ?
N2 Ce1 C14 C15 -157.2(15) 3_667 . . . ?
N1 Ce1 C14 C15 46.9(6) 3_667 . . . ?
N1 Ce1 C14 C15 141.6(4) . . . . ?
C18 Ce1 C14 C15 -73.4(5) . . . . ?
C19 Ce1 C14 C15 -103.4(5) . . . . ?
C13 Ce1 C14 C15 -147.3(7) . . . . ?
C17 Ce1 C14 C15 -43.7(5) . . . . ?
C16 Ce1 C14 C15 -19.8(4) . . . . ?
C20 Ce1 C14 C15 -128.2(5) . . . . ?
C1 Ce1 C14 C15 30.1(9) 3_667 . . . ?
C13 C14 C15 C16 1.6(13) . . . . ?
Ce1 C14 C15 C16 50.2(7) . . . . ?
C13 C14 C15 Ce1 -48.6(7) . . . . ?
N2 Ce1 C15 C16 26.0(9) 3_667 . . . ?
N1 Ce1 C15 C16 67.7(4) 3_667 . . . ?
N1 Ce1 C15 C16 170.6(4) . . . . ?
C18 Ce1 C15 C16 -43.3(4) . . . . ?
C19 Ce1 C15 C16 -73.5(4) . . . . ?
C13 Ce1 C15 C16 -126.5(5) . . . . ?
C17 Ce1 C15 C16 -18.8(4) . . . . ?
C14 Ce1 C15 C16 -145.2(7) . . . . ?
C20 Ce1 C15 C16 -103.0(4) . . . . ?
C1 Ce1 C15 C16 46.9(5) 3_667 . . . ?
N2 Ce1 C15 C14 171.2(6) 3_667 . . . ?
N1 Ce1 C15 C14 -147.0(4) 3_667 . . . ?
N1 Ce1 C15 C14 -44.2(5) . . . . ?
C18 Ce1 C15 C14 102.0(5) . . . . ?
C19 Ce1 C15 C14 71.7(5) . . . . ?
C13 Ce1 C15 C14 18.7(4) . . . . ?
C17 Ce1 C15 C14 126.4(5) . . . . ?
C16 Ce1 C15 C14 145.2(7) . . . . ?
C20 Ce1 C15 C14 42.2(4) . . . . ?
C1 Ce1 C15 C14 -167.9(4) 3_667 . . . ?
C14 C15 C16 C17 -1.0(13) . . . . ?
Ce1 C15 C16 C17 49.0(7) . . . . ?
C14 C15 C16 Ce1 -50.1(7) . . . . ?
N2 Ce1 C16 C17 45.5(5) 3_667 . . . ?
N1 Ce1 C16 C17 92.7(4) 3_667 . . . ?
N1 Ce1 C16 C17 -162.1(3) . . . . ?
C18 Ce1 C16 C17 -19.7(4) . . . . ?
C19 Ce1 C16 C17 -45.0(4) . . . . ?
C13 Ce1 C16 C17 -103.0(4) . . . . ?
C14 Ce1 C16 C17 -126.9(4) . . . . ?
C20 Ce1 C16 C17 -74.3(4) . . . . ?
C15 Ce1 C16 C17 -146.8(6) . . . . ?
C1 Ce1 C16 C17 67.3(4) 3_667 . . . ?
N2 Ce1 C16 C15 -167.6(4) 3_667 . . . ?
N1 Ce1 C16 C15 -120.5(4) 3_667 . . . ?
N1 Ce1 C16 C15 -15.3(6) . . . . ?
C18 Ce1 C16 C15 127.1(5) . . . . ?
C19 Ce1 C16 C15 101.9(4) . . . . ?
C13 Ce1 C16 C15 43.9(4) . . . . ?
C17 Ce1 C16 C15 146.8(6) . . . . ?
C14 Ce1 C16 C15 19.9(4) . . . . ?
C20 Ce1 C16 C15 72.6(4) . . . . ?
C1 Ce1 C16 C15 -145.8(4) 3_667 . . . ?
C15 C16 C17 C18 0.4(14) . . . . ?
Ce1 C16 C17 C18 49.4(8) . . . . ?
C15 C16 C17 Ce1 -49.1(7) . . . . ?
N2 Ce1 C17 C16 -144.8(4) 3_667 . . . ?
N1 Ce1 C17 C16 -92.6(4) 3_667 . . . ?
N1 Ce1 C17 C16 75.3(13) . . . . ?
C18 Ce1 C17 C16 146.0(7) . . . . ?
C19 Ce1 C17 C16 125.6(5) . . . . ?
C13 Ce1 C17 C16 72.6(4) . . . . ?
C14 Ce1 C17 C16 43.4(4) . . . . ?
C20 Ce1 C17 C16 101.5(4) . . . . ?
C15 Ce1 C17 C16 19.0(4) . . . . ?
C1 Ce1 C17 C16 -119.6(4) 3_667 . . . ?
N2 Ce1 C17 C18 69.2(5) 3_667 . . . ?
N1 Ce1 C17 C18 121.4(5) 3_667 . . . ?
N1 Ce1 C17 C18 -70.6(14) . . . . ?
C19 Ce1 C17 C18 -20.4(5) . . . . ?
C13 Ce1 C17 C18 -73.4(5) . . . . ?
C14 Ce1 C17 C18 -102.5(5) . . . . ?
C16 Ce1 C17 C18 -146.0(7) . . . . ?
C20 Ce1 C17 C18 -44.5(5) . . . . ?
C15 Ce1 C17 C18 -127.0(5) . . . . ?
C1 Ce1 C17 C18 94.4(5) 3_667 . . . ?
C16 C17 C18 C19 0.9(16) . . . . ?
Ce1 C17 C18 C19 50.7(9) . . . . ?
C16 C17 C18 Ce1 -49.8(8) . . . . ?
N2 Ce1 C18 C17 -115.9(5) 3_667 . . . ?
N1 Ce1 C18 C17 -67.1(5) 3_667 . . . ?
N1 Ce1 C18 C17 163.3(4) . . . . ?
C19 Ce1 C18 C17 144.7(8) . . . . ?
C13 Ce1 C18 C17 102.1(5) . . . . ?
C14 Ce1 C18 C17 72.6(5) . . . . ?
C16 Ce1 C18 C17 19.2(4) . . . . ?
C20 Ce1 C18 C17 126.1(6) . . . . ?
C15 Ce1 C18 C17 43.2(5) . . . . ?
C1 Ce1 C18 C17 -90.1(5) 3_667 . . . ?
N2 Ce1 C18 C19 99.4(5) 3_667 . . . ?
N1 Ce1 C18 C19 148.3(5) 3_667 . . . ?
N1 Ce1 C18 C19 18.6(8) . . . . ?
C13 Ce1 C18 C19 -42.6(5) . . . . ?
C17 Ce1 C18 C19 -144.7(8) . . . . ?
C14 Ce1 C18 C19 -72.0(6) . . . . ?
C16 Ce1 C18 C19 -125.5(6) . . . . ?
C20 Ce1 C18 C19 -18.5(5) . . . . ?
C15 Ce1 C18 C19 -101.4(6) . . . . ?
C1 Ce1 C18 C19 125.2(5) 3_667 . . . ?
C17 C18 C19 C20 -2.0(18) . . . . ?
Ce1 C18 C19 C20 48.9(10) . . . . ?
C17 C18 C19 Ce1 -50.9(9) . . . . ?
N2 Ce1 C19 C20 128.6(5) 3_667 . . . ?
N1 Ce1 C19 C20 166.3(4) 3_667 . . . ?
N1 Ce1 C19 C20 44.3(5) . . . . ?
C18 Ce1 C19 C20 -147.4(9) . . . . ?
C13 Ce1 C19 C20 -19.8(4) . . . . ?
C17 Ce1 C19 C20 -127.2(6) . . . . ?
C14 Ce1 C19 C20 -44.3(5) . . . . ?
C16 Ce1 C19 C20 -102.9(5) . . . . ?
C15 Ce1 C19 C20 -73.6(5) . . . . ?
C1 Ce1 C19 C20 149.6(4) 3_667 . . . ?
N2 Ce1 C19 C18 -84.0(6) 3_667 . . . ?
N1 Ce1 C19 C18 -46.3(7) 3_667 . . . ?
N1 Ce1 C19 C18 -168.4(5) . . . . ?
C13 Ce1 C19 C18 127.6(6) . . . . ?
C17 Ce1 C19 C18 20.2(5) . . . . ?
C14 Ce1 C19 C18 103.0(6) . . . . ?
C16 Ce1 C19 C18 44.4(5) . . . . ?
C20 Ce1 C19 C18 147.4(9) . . . . ?
C15 Ce1 C19 C18 73.8(6) . . . . ?
C1 Ce1 C19 C18 -63.0(6) 3_667 . . . ?
C14 C13 C20 C19 0.5(13) . . . . ?
Ce1 C13 C20 C19 -49.8(8) . . . . ?
C14 C13 C20 Ce1 50.3(7) . . . . ?
C18 C19 C20 C13 1.4(17) . . . . ?
Ce1 C19 C20 C13 50.0(8) . . . . ?
C18 C19 C20 Ce1 -48.6(10) . . . . ?
N2 Ce1 C20 C13 155.9(4) 3_667 . . . ?
N1 Ce1 C20 C13 174.5(6) 3_667 . . . ?
N1 Ce1 C20 C13 74.2(4) . . . . ?
C18 Ce1 C20 C13 -126.0(5) . . . . ?
C19 Ce1 C20 C13 -144.9(7) . . . . ?
C17 Ce1 C20 C13 -101.3(4) . . . . ?
C14 Ce1 C20 C13 -19.4(3) . . . . ?
C16 Ce1 C20 C13 -72.4(4) . . . . ?
C15 Ce1 C20 C13 -43.2(4) . . . . ?
C1 Ce1 C20 C13 170.4(3) 3_667 . . . ?
N2 Ce1 C20 C19 -59.1(5) 3_667 . . . ?
N1 Ce1 C20 C19 -40.5(10) 3_667 . . . ?
N1 Ce1 C20 C19 -140.8(5) . . . . ?
C18 Ce1 C20 C19 19.0(5) . . . . ?
C13 Ce1 C20 C19 144.9(7) . . . . ?
C17 Ce1 C20 C19 43.6(5) . . . . ?
C14 Ce1 C20 C19 125.5(5) . . . . ?
C16 Ce1 C20 C19 72.6(5) . . . . ?
C15 Ce1 C20 C19 101.8(5) . . . . ?
C1 Ce1 C20 C19 -44.7(6) 3_667 . . . ?
C30 N4 C21 N3 -179.8(4) . . . . ?
Ce2 N4 C21 N3 -33.9(5) . . . . ?
Ce2 N4 C21 N3 49.4(4) 3_566 . . . ?
C30 N4 C21 C22 4.1(7) . . . . ?
Ce2 N4 C21 C22 150.0(5) . . . . ?
Ce2 N4 C21 C22 -126.6(5) 3_566 . . . ?
C30 N4 C21 Ce2 130.7(4) . . . 3_566 ?
Ce2 N4 C21 Ce2 -83.35(10) . . . 3_566 ?
C30 N4 C21 Ce2 -145.9(4) . . . . ?
Ce2 N4 C21 Ce2 83.35(10) 3_566 . . . ?
C27' N3 C21 N4 157.0(10) . . . . ?
C27 N3 C21 N4 -174.6(5) . . . . ?
Ce2 N3 C21 N4 33.9(5) . . . . ?
Ce2 N3 C21 N4 -50.7(4) 3_566 . . . ?
C27' N3 C21 C22 -27.1(12) . . . . ?
C27 N3 C21 C22 1.3(8) . . . . ?
Ce2 N3 C21 C22 -150.1(5) . . . . ?
Ce2 N3 C21 C22 125.3(5) 3_566 . . . ?
C27' N3 C21 Ce2 -152.3(10) . . . 3_566 ?
C27 N3 C21 Ce2 -123.9(5) . . . 3_566 ?
Ce2 N3 C21 Ce2 84.61(13) . . . 3_566 ?
C27' N3 C21 Ce2 123.1(10) . . . . ?
C27 N3 C21 Ce2 151.5(6) . . . . ?
Ce2 N3 C21 Ce2 -84.61(13) 3_566 . . . ?
N3 Ce2 C21 N4 -144.6(5) . . . . ?
C40 Ce2 C21 N4 63.2(4) . . . . ?
C38 Ce2 C21 N4 119.2(4) . . . . ?
C37 Ce2 C21 N4 147.9(4) . . . . ?
N3 Ce2 C21 N4 -49.3(3) 3_566 . . . ?
C39 Ce2 C21 N4 87.7(4) . . . . ?
C36 Ce2 C21 N4 168.1(3) . . . . ?
C35 Ce2 C21 N4 -179.7(5) . . . . ?
C34 Ce2 C21 N4 35.9(8) . . . . ?
C33 Ce2 C21 N4 45.1(4) . . . . ?
N4 Ce2 C21 N4 -98.2(3) 3_566 . . . ?
N4 Ce2 C21 N3 144.6(5) . . . . ?
C40 Ce2 C21 N3 -152.2(4) . . . . ?
C38 Ce2 C21 N3 -96.2(4) . . . . ?
C37 Ce2 C21 N3 -67.5(4) . . . . ?
N3 Ce2 C21 N3 95.4(3) 3_566 . . . ?
C39 Ce2 C21 N3 -127.7(4) . . . . ?
C36 Ce2 C21 N3 -47.2(4) . . . . ?
C35 Ce2 C21 N3 -35.1(7) . . . . ?
C34 Ce2 C21 N3 -179.5(6) . . . . ?
C33 Ce2 C21 N3 -170.3(4) . . . . ?
N4 Ce2 C21 N3 46.5(3) 3_566 . . . ?
N4 Ce2 C21 C22 -106.1(9) . . . . ?
N3 Ce2 C21 C22 109.3(9) . . . . ?
C40 Ce2 C21 C22 -42.9(9) . . . . ?
C38 Ce2 C21 C22 13.1(9) . . . . ?
C37 Ce2 C21 C22 41.8(9) . . . . ?
N3 Ce2 C21 C22 -155.4(8) 3_566 . . . ?
C39 Ce2 C21 C22 -18.4(9) . . . . ?
C36 Ce2 C21 C22 62.0(9) . . . . ?
C35 Ce2 C21 C22 74.2(10) . . . . ?
C34 Ce2 C21 C22 -70.2(11) . . . . ?
C33 Ce2 C21 C22 -61.0(9) . . . . ?
N4 Ce2 C21 C22 155.7(8) 3_566 . . . ?
N4 Ce2 C21 Ce2 73.8(3) . . . 3_566 ?
N3 Ce2 C21 Ce2 -70.8(3) . . . 3_566 ?
C40 Ce2 C21 Ce2 137.0(3) . . . 3_566 ?
C38 Ce2 C21 Ce2 -167.0(3) . . . 3_566 ?
C37 Ce2 C21 Ce2 -138.3(3) . . . 3_566 ?
N3 Ce2 C21 Ce2 24.53(12) 3_566 . . 3_566 ?
C39 Ce2 C21 Ce2 161.5(3) . . . 3_566 ?
C36 Ce2 C21 Ce2 -118.1(2) . . . 3_566 ?
C35 Ce2 C21 Ce2 -105.9(5) . . . 3_566 ?
C34 Ce2 C21 Ce2 109.7(6) . . . 3_566 ?
C33 Ce2 C21 Ce2 118.9(3) . . . 3_566 ?
N4 Ce2 C21 Ce2 -24.36(11) 3_566 . . 3_566 ?
N4 C21 C22 C23 43(9) . . . . ?
N3 C21 C22 C23 -132(9) . . . . ?
Ce2 C21 C22 C23 -46(9) 3_566 . . . ?
Ce2 C21 C22 C23 134(8) . . . . ?
C21 C22 C23 C24 82(75) . . . . ?
C22 C23 C24 C25 -3(73) . . . . ?
C22 C23 C24 C26 65(73) . . . . ?
C23 C24 C25 C26 108.8(6) . . . . ?
C23 C24 C26 C25 -107.4(5) . . . . ?
C21 N3 C27 C29 158.7(7) . . . . ?
C27' N3 C27 C29 -66.5(12) . . . . ?
Ce2 N3 C27 C29 -75.9(10) . . . . ?
Ce2 N3 C27 C29 59.1(9) 3_566 . . . ?
C21 N3 C27 C28 -79.8(8) . . . . ?
C27' N3 C27 C28 55.0(13) . . . . ?
Ce2 N3 C27 C28 45.5(10) . . . . ?
Ce2 N3 C27 C28 -179.5(6) 3_566 . . . ?
C21 N3 C27' C28' -44(2) . . . . ?
C27 N3 C27' C28' -104(2) . . . . ?
Ce2 N3 C27' C28' 69.9(16) . . . . ?
Ce2 N3 C27' C28' 177.4(12) 3_566 . . . ?
C21 N3 C27' C29' 92.2(13) . . . . ?
C27 N3 C27' C29' 32.4(11) . . . . ?
Ce2 N3 C27' C29' -153.6(11) . . . . ?
Ce2 N3 C27' C29' -46.2(18) 3_566 . . . ?
C21 N4 C30 C31 -161.0(5) . . . . ?
Ce2 N4 C30 C31 74.2(6) . . . . ?
Ce2 N4 C30 C31 -57.1(5) 3_566 . . . ?
C21 N4 C30 C32 76.0(6) . . . . ?
Ce2 N4 C30 C32 -48.7(6) . . . . ?
Ce2 N4 C30 C32 180.0(3) 3_566 . . . ?
N4 Ce2 C33 C40 57.2(6) . . . . ?
N3 Ce2 C33 C40 23.6(10) . . . . ?
C38 Ce2 C33 C40 -44.5(6) . . . . ?
C37 Ce2 C33 C40 -75.2(6) . . . . ?
N3 Ce2 C33 C40 132.4(5) 3_566 . . . ?
C39 Ce2 C33 C40 -19.3(5) . . . . ?
C36 Ce2 C33 C40 -104.5(6) . . . . ?
C35 Ce2 C33 C40 -128.8(6) . . . . ?
C34 Ce2 C33 C40 -147.6(8) . . . . ?
N4 Ce2 C33 C40 172.8(5) 3_566 . . . ?
N4 Ce2 C33 C34 -155.1(4) . . . . ?
N3 Ce2 C33 C34 171.2(5) . . . . ?
C40 Ce2 C33 C34 147.6(8) . . . . ?
C38 Ce2 C33 C34 103.2(5) . . . . ?
C37 Ce2 C33 C34 72.5(5) . . . . ?
N3 Ce2 C33 C34 -80.0(4) 3_566 . . . ?
C39 Ce2 C33 C34 128.3(5) . . . . ?
C36 Ce2 C33 C34 43.1(4) . . . . ?
C35 Ce2 C33 C34 18.8(4) . . . . ?
N4 Ce2 C33 C34 -39.6(5) 3_566 . . . ?
C40 C33 C34 C35 -1.1(15) . . . . ?
Ce2 C33 C34 C35 -48.9(7) . . . . ?
C40 C33 C34 Ce2 47.7(9) . . . . ?
N4 Ce2 C34 C33 37.3(6) . . . . ?
N3 Ce2 C34 C33 -165.9(8) . . . . ?
C40 Ce2 C34 C33 -18.1(5) . . . . ?
C38 Ce2 C34 C33 -71.6(5) . . . . ?
C37 Ce2 C34 C33 -102.8(5) . . . . ?
N3 Ce2 C34 C33 99.1(5) 3_566 . . . ?
C39 Ce2 C34 C33 -41.0(5) . . . . ?
C36 Ce2 C34 C33 -127.3(5) . . . . ?
C35 Ce2 C34 C33 -147.2(6) . . . . ?
N4 Ce2 C34 C33 146.7(5) 3_566 . . . ?
N4 Ce2 C34 C35 -175.5(3) . . . . ?
N3 Ce2 C34 C35 -18.7(11) . . . . ?
C40 Ce2 C34 C35 129.1(5) . . . . ?
C38 Ce2 C34 C35 75.6(4) . . . . ?
C37 Ce2 C34 C35 44.3(4) . . . . ?
N3 Ce2 C34 C35 -113.7(4) 3_566 . . . ?
C39 Ce2 C34 C35 106.2(4) . . . . ?
C36 Ce2 C34 C35 19.9(4) . . . . ?
C33 Ce2 C34 C35 147.2(6) . . . . ?
N4 Ce2 C34 C35 -66.1(4) 3_566 . . . ?
C33 C34 C35 C36 -1.4(13) . . . . ?
Ce2 C34 C35 C36 -50.4(7) . . . . ?
C33 C34 C35 Ce2 49.1(8) . . . . ?
N4 Ce2 C35 C36 163.0(8) . . . . ?
N3 Ce2 C35 C36 -40.4(5) . . . . ?
C40 Ce2 C35 C36 103.9(5) . . . . ?
C38 Ce2 C35 C36 45.5(5) . . . . ?
C37 Ce2 C35 C36 19.4(5) . . . . ?
N3 Ce2 C35 C36 -147.7(4) 3_566 . . . ?
C39 Ce2 C35 C36 76.6(5) . . . . ?
C34 Ce2 C35 C36 145.2(6) . . . . ?
C33 Ce2 C35 C36 126.5(5) . . . . ?
N4 Ce2 C35 C36 -100.6(4) 3_566 . . . ?
N4 Ce2 C35 C34 17.9(11) . . . . ?
N3 Ce2 C35 C34 174.4(3) . . . . ?
C40 Ce2 C35 C34 -41.2(5) . . . . ?
C38 Ce2 C35 C34 -99.6(5) . . . . ?
C37 Ce2 C35 C34 -125.8(5) . . . . ?
N3 Ce2 C35 C34 67.1(4) 3_566 . . . ?
C39 Ce2 C35 C34 -68.5(5) . . . . ?
C36 Ce2 C35 C34 -145.2(6) . . . . ?
C33 Ce2 C35 C34 -18.7(4) . . . . ?
N4 Ce2 C35 C34 114.2(4) 3_566 . . . ?
C34 C35 C36 C37 0.9(14) . . . . ?
Ce2 C35 C36 C37 -49.6(9) . . . . ?
C34 C35 C36 Ce2 50.6(7) . . . . ?
N4 Ce2 C36 C35 -172.6(4) . . . . ?
N3 Ce2 C36 C35 152.2(3) . . . . ?
C40 Ce2 C36 C35 -71.5(5) . . . . ?
C38 Ce2 C36 C35 -124.9(6) . . . . ?
C37 Ce2 C36 C35 -146.1(8) . . . . ?
N3 Ce2 C36 C35 38.8(5) 3_566 . . . ?
C39 Ce2 C36 C35 -99.0(5) . . . . ?
C34 Ce2 C36 C35 -19.9(4) . . . . ?
C33 Ce2 C36 C35 -43.8(4) . . . . ?
N4 Ce2 C36 C35 78.1(4) 3_566 . . . ?
N4 Ce2 C36 C37 -26.5(9) . . . . ?
N3 Ce2 C36 C37 -61.6(6) . . . . ?
C40 Ce2 C36 C37 74.6(7) . . . . ?
C38 Ce2 C36 C37 21.2(6) . . . . ?
N3 Ce2 C36 C37 -175.1(6) 3_566 . . . ?
C39 Ce2 C36 C37 47.2(7) . . . . ?
C35 Ce2 C36 C37 146.1(8) . . . . ?
C34 Ce2 C36 C37 126.2(7) . . . . ?
C33 Ce2 C36 C37 102.3(6) . . . . ?
N4 Ce2 C36 C37 -135.8(6) 3_566 . . . ?
C35 C36 C37 C38 -1.0(18) . . . . ?
Ce2 C36 C37 C38 -50.7(10) . . . . ?
C35 C36 C37 Ce2 49.7(9) . . . . ?
N4 Ce2 C37 C36 167.8(4) . . . . ?
N3 Ce2 C37 C36 125.7(5) . . . . ?
C40 Ce2 C37 C36 -101.2(6) . . . . ?
C38 Ce2 C37 C36 -144.0(10) . . . . ?
N3 Ce2 C37 C36 8.9(10) 3_566 . . . ?
C39 Ce2 C37 C36 -123.7(7) . . . . ?
C35 Ce2 C37 C36 -19.3(5) . . . . ?
C34 Ce2 C37 C36 -43.9(5) . . . . ?
C33 Ce2 C37 C36 -73.0(6) . . . . ?
N4 Ce2 C37 C36 48.6(6) 3_566 . . . ?
N4 Ce2 C37 C38 -48.2(7) . . . . ?
N3 Ce2 C37 C38 -90.3(6) . . . . ?
C40 Ce2 C37 C38 42.8(7) . . . . ?
N3 Ce2 C37 C38 152.9(6) 3_566 . . . ?
C39 Ce2 C37 C38 20.3(6) . . . . ?
C36 Ce2 C37 C38 144.0(10) . . . . ?
C35 Ce2 C37 C38 124.7(7) . . . . ?
C34 Ce2 C37 C38 100.1(6) . . . . ?
C33 Ce2 C37 C38 71.0(7) . . . . ?
N4 Ce2 C37 C38 -167.4(6) 3_566 . . . ?
C36 C37 C38 C39 1.5(19) . . . . ?
Ce2 C37 C38 C39 -49.6(10) . . . . ?
C36 C37 C38 Ce2 51.1(10) . . . . ?
N4 Ce2 C38 C39 -71.6(6) . . . . ?
N3 Ce2 C38 C39 -121.4(5) . . . . ?
C40 Ce2 C38 C39 17.5(5) . . . . ?
C37 Ce2 C38 C39 144.9(9) . . . . ?
N3 Ce2 C38 C39 27.9(13) 3_566 . . . ?
C36 Ce2 C38 C39 124.7(6) . . . . ?
C35 Ce2 C38 C39 99.9(6) . . . . ?
C34 Ce2 C38 C39 70.2(6) . . . . ?
C33 Ce2 C38 C39 41.2(5) . . . . ?
N4 Ce2 C38 C39 164.0(5) 3_566 . . . ?
N4 Ce2 C38 C37 143.5(5) . . . . ?
N3 Ce2 C38 C37 93.8(6) . . . . ?
C40 Ce2 C38 C37 -127.3(7) . . . . ?
N3 Ce2 C38 C37 -117.0(11) 3_566 . . . ?
C39 Ce2 C38 C37 -144.9(9) . . . . ?
C36 Ce2 C38 C37 -20.2(5) . . . . ?
C35 Ce2 C38 C37 -44.9(6) . . . . ?
C34 Ce2 C38 C37 -74.6(6) . . . . ?
C33 Ce2 C38 C37 -103.7(6) . . . . ?
N4 Ce2 C38 C37 19.2(8) 3_566 . . . ?
C37 C38 C39 C40 1.0(19) . . . . ?
Ce2 C38 C39 C40 -48.5(11) . . . . ?
C37 C38 C39 Ce2 49.5(11) . . . . ?
N4 Ce2 C39 C40 -98.5(6) . . . . ?
N3 Ce2 C39 C40 -146.7(5) . . . . ?
C38 Ce2 C39 C40 147.5(8) . . . . ?
C37 Ce2 C39 C40 127.1(6) . . . . ?
N3 Ce2 C39 C40 -23.3(7) 3_566 . . . ?
C36 Ce2 C39 C40 102.0(6) . . . . ?
C35 Ce2 C39 C40 72.3(6) . . . . ?
C34 Ce2 C39 C40 43.5(5) . . . . ?
C33 Ce2 C39 C40 19.7(5) . . . . ?
N4 Ce2 C39 C40 86.7(19) 3_566 . . . ?
N4 Ce2 C39 C38 114.0(5) . . . . ?
N3 Ce2 C39 C38 65.8(5) . . . . ?
C40 Ce2 C39 C38 -147.5(8) . . . . ?
C37 Ce2 C39 C38 -20.4(5) . . . . ?
N3 Ce2 C39 C38 -170.8(4) 3_566 . . . ?
C36 Ce2 C39 C38 -45.5(5) . . . . ?
C35 Ce2 C39 C38 -75.2(5) . . . . ?
C34 Ce2 C39 C38 -104.0(5) . . . . ?
C33 Ce2 C39 C38 -127.8(6) . . . . ?
N4 Ce2 C39 C38 -61(2) 3_566 . . . ?
C38 C39 C40 C33 -5(2) . . . . ?
Ce2 C39 C40 C33 -53.2(11) . . . . ?
C38 C39 C40 Ce2 48.0(11) . . . . ?
C34 C33 C40 C39 5.3(18) . . . . ?
Ce2 C33 C40 C39 53.1(11) . . . . ?
C34 C33 C40 Ce2 -47.8(9) . . . . ?
N4 Ce2 C40 C39 84.7(5) . . . . ?
N3 Ce2 C40 C39 44.9(6) . . . . ?
C38 Ce2 C40 C39 -19.6(5) . . . . ?
C37 Ce2 C40 C39 -44.7(5) . . . . ?
N3 Ce2 C40 C39 163.1(5) 3_566 . . . ?
C36 Ce2 C40 C39 -74.2(5) . . . . ?
C35 Ce2 C40 C39 -103.2(5) . . . . ?
C34 Ce2 C40 C39 -126.7(6) . . . . ?
C33 Ce2 C40 C39 -145.4(8) . . . . ?
N4 Ce2 C40 C39 -157.6(5) 3_566 . . . ?
N4 Ce2 C40 C33 -129.9(5) . . . . ?
N3 Ce2 C40 C33 -169.8(4) . . . . ?
C38 Ce2 C40 C33 125.8(6) . . . . ?
C37 Ce2 C40 C33 100.7(5) . . . . ?
N3 Ce2 C40 C33 -51.6(6) 3_566 . . . ?
C39 Ce2 C40 C33 145.4(9) . . . . ?
C36 Ce2 C40 C33 71.2(5) . . . . ?
C35 Ce2 C40 C33 42.2(5) . . . . ?
C34 Ce2 C40 C33 18.7(4) . . . . ?
N4 Ce2 C40 C33 -12.2(8) 3_566 . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        75.90
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.229
_refine_diff_density_min         -1.555
_refine_diff_density_rms         0.123
####################################################################### 
# 
# 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_magd100
_database_code_depnum_ccdc_archive 'CCDC 1057409'
_audit_update_record             
;
2015-04-01 deposited with the CCDC.
2016-06-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C52 H70 Ce2 N4'
_chemical_formula_weight         1031.36

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ce Ce -1.8482 9.6596 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'

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

_cell_length_a                   14.87097(10)
_cell_length_b                   20.01756(14)
_cell_length_c                   15.58600(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.5556(6)
_cell_angle_gamma                90.00
_cell_volume                     4630.72(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    77022
_cell_measurement_theta_min      3.5660
_cell_measurement_theta_max      75.2870

_exptl_crystal_description       plate
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.479
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2104
_exptl_absorpt_coefficient_mu    15.273
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2236
_exptl_absorpt_correction_T_max  0.6572
_exptl_absorpt_process_details   
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44)  
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Atlas, Nova'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3543
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            214859
_diffrn_reflns_av_R_equivalents  0.0566
_diffrn_reflns_av_sigmaI/netI    0.0153
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.60
_diffrn_reflns_theta_max         75.86
_reflns_number_total             9629
_reflns_number_gt                8956
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
;
_computing_cell_refinement       
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
;
_computing_data_reduction        
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker XP'
_computing_publication_material  SHELXL-97

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_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)+(0.0420P)²+10.7708P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9629
_refine_ls_number_parameters     599
_refine_ls_number_restraints     38
_refine_ls_R_factor_all          0.0407
_refine_ls_R_factor_gt           0.0379
_refine_ls_wR_factor_ref         0.0939
_refine_ls_wR_factor_gt          0.0921
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_restrained_S_all      1.105
_refine_ls_shift/su_max          0.100
_refine_ls_shift/su_mean         0.002

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ce1 Ce 0.350324(13) 0.237913(10) 0.244187(11) 0.02386(6) Uani 1 1 d . B .
Ce2 Ce 0.342860(14) 0.260567(11) 0.013074(12) 0.03048(7) Uani 1 1 d . B .
N1 N 0.2445(2) 0.18590(16) 0.1111(2) 0.0337(7) Uani 1 1 d . B .
N2 N 0.2263(2) 0.29666(16) 0.12782(19) 0.0301(7) Uani 1 1 d . B .
N3 N 0.4756(2) 0.20876(18) 0.1317(2) 0.0406(8) Uani 1 1 d . . .
N4 N 0.4406(2) 0.31808(15) 0.14525(19) 0.0272(6) Uani 1 1 d . . .
C1 C 0.1876(3) 0.2366(2) 0.1254(2) 0.0302(8) Uani 1 1 d . . .
C2 C 0.0941(3) 0.2255(2) 0.1415(3) 0.0380(9) Uani 1 1 d . B .
C3 C 0.0184(3) 0.2133(3) 0.1610(3) 0.0443(10) Uani 1 1 d . . .
C4 C -0.0715(3) 0.1995(3) 0.1881(3) 0.0483(11) Uani 1 1 d . B .
H4 H -0.0855 0.2176 0.2456 0.058 Uiso 1 1 calc R . .
C5 C -0.1482(3) 0.1959(3) 0.1227(3) 0.0549(13) Uani 1 1 d . . .
H5A H -0.1355 0.2039 0.0619 0.066 Uiso 1 1 calc R B .
H5B H -0.2076 0.2123 0.1391 0.066 Uiso 1 1 calc R . .
C6 C -0.1121(3) 0.1329(3) 0.1646(4) 0.0582(13) Uani 1 1 d . B .
H6A H -0.1491 0.1107 0.2069 0.070 Uiso 1 1 calc R . .
H6B H -0.0770 0.1022 0.1297 0.070 Uiso 1 1 calc R . .
C7 C 0.2033(3) 0.1186(2) 0.1025(3) 0.0437(10) Uani 1 1 d . . .
H7 H 0.1625 0.1122 0.1505 0.052 Uiso 1 1 calc R B .
C8 C 0.2754(4) 0.0656(2) 0.1098(3) 0.0576(14) Uani 1 1 d . B .
H8A H 0.3100 0.0702 0.1658 0.069 Uiso 1 1 calc R . .
H8B H 0.3175 0.0723 0.0638 0.069 Uiso 1 1 calc R . .
C9 C 0.2354(6) -0.0046(3) 0.1024(3) 0.084(2) Uani 1 1 d . . .
H9A H 0.1991 -0.0134 0.1523 0.101 Uiso 1 1 calc R B .
H9B H 0.2848 -0.0379 0.1033 0.101 Uiso 1 1 calc R . .
C10 C 0.1758(6) -0.0125(3) 0.0190(4) 0.092(3) Uani 1 1 d . B .
H10A H 0.2139 -0.0107 -0.0308 0.110 Uiso 1 1 calc R . .
H10B H 0.1457 -0.0566 0.0187 0.110 Uiso 1 1 calc R . .
C11 C 0.1050(5) 0.0420(3) 0.0102(3) 0.079(2) Uani 1 1 d . . .
H11A H 0.0623 0.0367 0.0559 0.095 Uiso 1 1 calc R B .
H11B H 0.0707 0.0375 -0.0460 0.095 Uiso 1 1 calc R . .
C12 C 0.1472(4) 0.1115(2) 0.0168(3) 0.0543(13) Uani 1 1 d . B .
H12A H 0.0992 0.1458 0.0131 0.065 Uiso 1 1 calc R . .
H12B H 0.1863 0.1185 -0.0316 0.065 Uiso 1 1 calc R . .
C13 C 0.1734(3) 0.3597(2) 0.1295(3) 0.0393(9) Uani 1 1 d . . .
H13 H 0.2171 0.3958 0.1168 0.047 Uiso 1 1 calc R B .
C14 C 0.1401(4) 0.3776(3) 0.2151(3) 0.0518(12) Uani 1 1 d . B .
H14A H 0.1913 0.3770 0.2589 0.062 Uiso 1 1 calc R . .
H14B H 0.0959 0.3436 0.2316 0.062 Uiso 1 1 calc R . .
C15 C 0.0961(3) 0.4459(2) 0.2144(3) 0.0498(11) Uani 1 1 d . . .
H15A H 0.0687 0.4533 0.2699 0.060 Uiso 1 1 calc R B .
H15B H 0.1427 0.4806 0.2083 0.060 Uiso 1 1 calc R . .
C16 C 0.0244(3) 0.4529(3) 0.1419(3) 0.0533(12) Uani 1 1 d . B .
H16A H -0.0273 0.4240 0.1540 0.064 Uiso 1 1 calc R . .
H16B H 0.0029 0.4997 0.1399 0.064 Uiso 1 1 calc R . .
C17 C 0.0567(3) 0.4348(3) 0.0568(3) 0.0530(12) Uani 1 1 d . . .
H17A H 0.1019 0.4680 0.0404 0.064 Uiso 1 1 calc R B .
H17B H 0.0055 0.4363 0.0131 0.064 Uiso 1 1 calc R . .
C18 C 0.0992(3) 0.3645(2) 0.0577(3) 0.0385(9) Uani 1 1 d . B .
H18A H 0.0523 0.3306 0.0666 0.046 Uiso 1 1 calc R . .
H18B H 0.1246 0.3556 0.0016 0.046 Uiso 1 1 calc R . .
C21 C 0.5044(3) 0.2718(2) 0.1332(3) 0.0320(8) Uani 1 1 d D A .
C22 C 0.5935(4) 0.2892(4) 0.1090(6) 0.0304(16) Uani 0.645(10) 1 d PD A 1
C23 C 0.6623(4) 0.3116(3) 0.0880(4) 0.0308(15) Uani 0.645(10) 1 d PDU A 1
C24 C 0.7462(4) 0.3376(4) 0.0597(4) 0.048(2) Uani 0.645(10) 1 d PDU A 1
H24 H 0.7673 0.3163 0.0066 0.058 Uiso 0.645(10) 1 calc PR A 1
C25 C 0.8175(7) 0.3560(5) 0.1236(6) 0.076(3) Uani 0.645(10) 1 d PDU A 1
H25A H 0.8042 0.3534 0.1850 0.091 Uiso 0.645(10) 1 calc PR A 1
H25B H 0.8803 0.3449 0.1113 0.091 Uiso 0.645(10) 1 calc PR A 1
C26 C 0.7724(6) 0.4063(5) 0.0720(6) 0.067(3) Uani 0.645(10) 1 d PDU A 1
H26A H 0.8062 0.4277 0.0267 0.081 Uiso 0.645(10) 1 calc PR A 1
H26B H 0.7302 0.4362 0.1003 0.081 Uiso 0.645(10) 1 calc PR A 1
C22' C 0.5995(8) 0.2961(8) 0.1369(10) 0.030(4) Uiso 0.355(10) 1 d PD A 2
C23' C 0.6718(8) 0.3230(7) 0.1339(11) 0.048(4) Uiso 0.355(10) 1 d PD A 2
C24' C 0.7472(15) 0.3621(10) 0.1054(16) 0.109(8) Uiso 0.355(10) 1 d PD A 2
H24' H 0.7995 0.3347 0.0886 0.131 Uiso 0.355(10) 1 calc PR A 2
C25' C 0.7709(13) 0.4241(9) 0.1421(11) 0.080(6) Uiso 0.355(10) 1 d PD A 2
H25C H 0.7327 0.4415 0.1868 0.096 Uiso 0.355(10) 1 calc PR A 2
H25D H 0.8359 0.4337 0.1525 0.096 Uiso 0.355(10) 1 calc PR A 2
C26' C 0.7361(16) 0.4261(9) 0.0588(12) 0.081(6) Uiso 0.355(10) 1 d PD A 2
H26C H 0.7778 0.4359 0.0133 0.097 Uiso 0.355(10) 1 calc PR A 2
H26D H 0.6742 0.4437 0.0478 0.097 Uiso 0.355(10) 1 calc PR A 2
C27 C 0.5396(7) 0.1544(5) 0.1127(5) 0.0327(19) Uani 0.682(7) 1 d P B 1
H27 H 0.5777 0.1690 0.0654 0.039 Uiso 0.682(7) 1 calc PR B 1
C28 C 0.5994(6) 0.1436(4) 0.1949(5) 0.049(2) Uani 0.682(7) 1 d P B 1
H28A H 0.5614 0.1327 0.2429 0.059 Uiso 0.682(7) 1 calc PR B 1
H28B H 0.6330 0.1851 0.2098 0.059 Uiso 0.682(7) 1 calc PR B 1
C29 C 0.6665(6) 0.0862(4) 0.1826(5) 0.059(2) Uani 0.682(7) 1 d P B 1
H29A H 0.7078 0.0993 0.1381 0.070 Uiso 0.682(7) 1 calc PR B 1
H29B H 0.7032 0.0792 0.2370 0.070 Uiso 0.682(7) 1 calc PR B 1
C30 C 0.6226(9) 0.0234(6) 0.1572(7) 0.062(3) Uani 0.682(7) 1 d P B 1
H30A H 0.5873 0.0069 0.2046 0.074 Uiso 0.682(7) 1 calc PR B 1
H30B H 0.6689 -0.0105 0.1459 0.074 Uiso 0.682(7) 1 calc PR B 1
C31 C 0.5601(6) 0.0333(4) 0.0762(5) 0.058(2) Uani 0.682(7) 1 d P B 1
H31A H 0.5265 -0.0086 0.0632 0.069 Uiso 0.682(7) 1 calc PR B 1
H31B H 0.5967 0.0434 0.0269 0.069 Uiso 0.682(7) 1 calc PR B 1
C32 C 0.4928(5) 0.0905(3) 0.0877(4) 0.0446(16) Uani 0.682(7) 1 d P B 1
H32A H 0.4561 0.0972 0.0332 0.054 Uiso 0.682(7) 1 calc PR B 1
H32B H 0.4517 0.0780 0.1326 0.054 Uiso 0.682(7) 1 calc PR B 1
C27' C 0.5576(11) 0.1586(9) 0.1464(11) 0.022(4) Uani 0.318(7) 1 d P B 2
H27' H 0.6141 0.1841 0.1616 0.027 Uiso 0.318(7) 1 calc PR B 2
C28' C 0.5459(8) 0.1037(7) 0.2127(8) 0.036(3) Uani 0.318(7) 1 d P B 2
H28C H 0.4865 0.0821 0.2014 0.043 Uiso 0.318(7) 1 calc PR B 2
H28D H 0.5474 0.1237 0.2709 0.043 Uiso 0.318(7) 1 calc PR B 2
C29' C 0.6206(9) 0.0510(8) 0.2093(10) 0.041(3) Uani 0.318(7) 1 d P B 2
H29C H 0.6798 0.0719 0.2245 0.049 Uiso 0.318(7) 1 calc PR B 2
H29D H 0.6108 0.0153 0.2516 0.049 Uiso 0.318(7) 1 calc PR B 2
C30' C 0.6204(13) 0.0211(10) 0.1193(11) 0.036(4) Uani 0.318(7) 1 d P B 2
H30C H 0.5620 -0.0012 0.1049 0.043 Uiso 0.318(7) 1 calc PR B 2
H30D H 0.6687 -0.0128 0.1174 0.043 Uiso 0.318(7) 1 calc PR B 2
C31' C 0.6356(8) 0.0765(7) 0.0535(8) 0.037(3) Uani 0.318(7) 1 d P B 2
H31C H 0.6359 0.0568 -0.0048 0.045 Uiso 0.318(7) 1 calc PR B 2
H31D H 0.6950 0.0978 0.0669 0.045 Uiso 0.318(7) 1 calc PR B 2
C32' C 0.5609(8) 0.1295(6) 0.0553(8) 0.032(3) Uani 0.318(7) 1 d P B 2
H32C H 0.5021 0.1090 0.0375 0.038 Uiso 0.318(7) 1 calc PR B 2
H32D H 0.5727 0.1657 0.0142 0.038 Uiso 0.318(7) 1 calc PR B 2
C33 C 0.4694(2) 0.38893(19) 0.1495(2) 0.0301(8) Uani 1 1 d . B .
H33 H 0.5122 0.3967 0.1035 0.036 Uiso 1 1 calc R . .
C34 C 0.5174(3) 0.4066(2) 0.2356(3) 0.0425(10) Uani 1 1 d . . .
H34A H 0.5706 0.3773 0.2461 0.051 Uiso 1 1 calc R B .
H34B H 0.4763 0.3991 0.2822 0.051 Uiso 1 1 calc R . .
C35 C 0.5475(3) 0.4798(2) 0.2362(3) 0.0476(11) Uani 1 1 d . B .
H35A H 0.5755 0.4909 0.2937 0.057 Uiso 1 1 calc R . .
H35B H 0.5937 0.4859 0.1938 0.057 Uiso 1 1 calc R . .
C36 C 0.4696(3) 0.5273(2) 0.2150(3) 0.0448(10) Uani 1 1 d . . .
H36A H 0.4930 0.5734 0.2102 0.054 Uiso 1 1 calc R B .
H36B H 0.4279 0.5265 0.2620 0.054 Uiso 1 1 calc R . .
C37 C 0.4188(3) 0.5078(2) 0.1310(3) 0.0382(9) Uani 1 1 d . B .
H37A H 0.4580 0.5148 0.0828 0.046 Uiso 1 1 calc R . .
H37B H 0.3652 0.5368 0.1214 0.046 Uiso 1 1 calc R . .
C38 C 0.3890(3) 0.4349(2) 0.1325(3) 0.0342(8) Uani 1 1 d . . .
H38A H 0.3462 0.4286 0.1780 0.041 Uiso 1 1 calc R B .
H38B H 0.3577 0.4232 0.0767 0.041 Uiso 1 1 calc R . .
C41 C 0.3800(3) 0.1330(2) 0.3517(3) 0.0482(11) Uani 1 1 d . . .
H41 H 0.4027 0.0892 0.3433 0.058 Uiso 1 1 calc R B .
C42 C 0.4484(3) 0.1785(3) 0.3762(3) 0.0518(12) Uani 1 1 d . B .
H42 H 0.5059 0.1578 0.3821 0.062 Uiso 1 1 calc R . .
C43 C 0.4529(4) 0.2470(3) 0.3942(3) 0.0502(12) Uani 1 1 d . . .
H43 H 0.5127 0.2621 0.4078 0.060 Uiso 1 1 calc R B .
C44 C 0.3892(4) 0.2983(2) 0.3967(3) 0.0489(12) Uani 1 1 d . B .
H44 H 0.4157 0.3405 0.4102 0.059 Uiso 1 1 calc R . .
C45 C 0.2950(4) 0.3017(2) 0.3837(3) 0.0482(12) Uani 1 1 d . . .
H45 H 0.2726 0.3455 0.3917 0.058 Uiso 1 1 calc R B .
C46 C 0.2259(3) 0.2555(3) 0.3615(3) 0.0477(11) Uani 1 1 d . B .
H46 H 0.1678 0.2754 0.3607 0.057 Uiso 1 1 calc R . .
C47 C 0.2219(3) 0.1868(3) 0.3402(3) 0.0464(11) Uani 1 1 d . . .
H47 H 0.1624 0.1719 0.3252 0.056 Uiso 1 1 calc R B .
C48 C 0.2858(3) 0.1364(2) 0.3364(3) 0.0440(10) Uani 1 1 d . B .
H48 H 0.2599 0.0947 0.3196 0.053 Uiso 1 1 calc R . .
C51 C 0.3306(6) 0.1888(3) -0.1336(3) 0.077(2) Uani 1 1 d . . .
H51 H 0.3156 0.1434 -0.1444 0.092 Uiso 1 1 calc R B .
C52 C 0.4275(6) 0.2001(4) -0.1134(3) 0.085(3) Uani 1 1 d . B .
H52 H 0.4629 0.1606 -0.1148 0.102 Uiso 1 1 calc R . .
C53 C 0.4795(4) 0.2599(4) -0.0919(3) 0.070(2) Uani 1 1 d . . .
H53 H 0.5421 0.2510 -0.0827 0.084 Uiso 1 1 calc R B .
C54 C 0.4595(4) 0.3262(4) -0.0817(3) 0.0636(16) Uani 1 1 d . B .
H54 H 0.5118 0.3518 -0.0658 0.076 Uiso 1 1 calc R . .
C55 C 0.3858(5) 0.3641(3) -0.0884(3) 0.0638(15) Uani 1 1 d . . .
H55 H 0.3994 0.4098 -0.0781 0.077 Uiso 1 1 calc R B .
C56 C 0.2981(5) 0.3545(3) -0.1057(3) 0.0633(15) Uani 1 1 d . B .
H56 H 0.2650 0.3949 -0.1019 0.076 Uiso 1 1 calc R . .
C57 C 0.2431(4) 0.3016(4) -0.1275(3) 0.0620(16) Uani 1 1 d . . .
H57 H 0.1819 0.3148 -0.1360 0.074 Uiso 1 1 calc R B .
C58 C 0.2538(4) 0.2334(4) -0.1403(3) 0.0660(18) Uani 1 1 d . B .
H58 H 0.1990 0.2113 -0.1570 0.079 Uiso 1 1 calc R . .


_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
Ce1 N4 2.648(3) . ?
Ce1 C45 2.693(4) . ?
Ce1 C44 2.697(4) . ?
Ce1 C48 2.699(4) . ?
Ce1 C47 2.699(4) . ?
Ce1 N3 2.700(3) . ?
Ce1 C46 2.704(4) . ?
Ce1 C41 2.706(4) . ?
Ce1 C43 2.718(4) . ?
Ce1 C42 2.721(4) . ?
Ce1 N1 2.731(3) . ?
Ce1 N2 2.767(3) . ?
Ce2 N1 2.642(3) . ?
Ce2 N2 2.666(3) . ?
Ce2 C53 2.686(5) . ?
Ce2 C54 2.691(5) . ?
Ce2 C52 2.692(5) . ?
Ce2 C56 2.693(5) . ?
Ce2 C57 2.696(5) . ?
Ce2 C51 2.696(5) . ?
Ce2 N4 2.704(3) . ?
Ce2 C55 2.706(5) . ?
Ce2 C58 2.715(5) . ?
Ce2 N3 2.817(4) . ?
N1 C1 1.349(5) . ?
N1 C7 1.483(5) . ?
N2 C1 1.334(5) . ?
N2 C13 1.487(5) . ?
N3 C21 1.332(5) . ?
N3 C27 1.487(10) . ?
N3 C27' 1.586(18) . ?
N4 C21 1.348(5) . ?
N4 C33 1.482(5) . ?
C1 C2 1.446(6) . ?
C2 C3 1.208(6) . ?
C3 C4 1.454(6) . ?
C4 C5 1.485(6) . ?
C4 C6 1.501(7) . ?
C5 C6 1.505(8) . ?
C7 C8 1.507(7) . ?
C7 C12 1.537(6) . ?
C8 C9 1.528(8) . ?
C9 C10 1.535(9) . ?
C10 C11 1.515(10) . ?
C11 C12 1.526(7) . ?
C13 C14 1.496(6) . ?
C13 C18 1.526(5) . ?
C14 C15 1.515(6) . ?
C15 C16 1.510(6) . ?
C16 C17 1.484(7) . ?
C17 C18 1.542(6) . ?
C21 C22 1.442(7) . ?
C21 C22' 1.494(11) . ?
C22 C23 1.181(8) . ?
C23 C24 1.446(8) . ?
C24 C26 1.438(11) . ?
C24 C25 1.456(10) . ?
C25 C26 1.428(13) . ?
C22' C23' 1.205(13) . ?
C23' C24' 1.459(16) . ?
C24' C25' 1.402(18) . ?
C24' C26' 1.478(17) . ?
C25' C26' 1.368(19) . ?
C27 C32 1.497(11) . ?
C27 C28 1.530(9) . ?
C28 C29 1.541(9) . ?
C29 C30 1.459(15) . ?
C30 C31 1.534(13) . ?
C31 C32 1.538(9) . ?
C27' C28' 1.524(19) . ?
C27' C32' 1.539(19) . ?
C28' C29' 1.535(19) . ?
C29' C30' 1.52(2) . ?
C30' C31' 1.54(2) . ?
C31' C32' 1.538(16) . ?
C33 C38 1.518(5) . ?
C33 C34 1.521(5) . ?
C34 C35 1.532(6) . ?
C35 C36 1.520(7) . ?
C36 C37 1.521(6) . ?
C37 C38 1.527(6) . ?
C41 C42 1.400(7) . ?
C41 C48 1.409(7) . ?
C42 C43 1.402(7) . ?
C43 C44 1.398(8) . ?
C44 C45 1.403(7) . ?
C45 C46 1.409(7) . ?
C46 C47 1.415(7) . ?
C47 C48 1.389(7) . ?
C51 C58 1.448(10) . ?
C51 C52 1.473(11) . ?
C52 C53 1.453(11) . ?
C53 C54 1.372(10) . ?
C54 C55 1.331(9) . ?
C55 C56 1.329(9) . ?
C56 C57 1.368(9) . ?
C57 C58 1.390(9) . ?

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
N4 Ce1 C45 111.97(12) . . ?
N4 Ce1 C44 98.80(12) . . ?
C45 Ce1 C44 30.19(16) . . ?
N4 Ce1 C48 167.45(13) . . ?
C45 Ce1 C48 77.90(14) . . ?
C44 Ce1 C48 86.09(13) . . ?
N4 Ce1 C47 162.56(13) . . ?
C45 Ce1 C47 57.99(16) . . ?
C44 Ce1 C47 78.53(15) . . ?
C48 Ce1 C47 29.83(15) . . ?
N4 Ce1 N3 50.04(10) . . ?
C45 Ce1 N3 152.14(14) . . ?
C44 Ce1 N3 123.40(14) . . ?
C48 Ce1 N3 117.75(13) . . ?
C47 Ce1 N3 144.94(14) . . ?
N4 Ce1 C46 135.04(13) . . ?
C45 Ce1 C46 30.26(16) . . ?
C44 Ce1 C46 57.56(16) . . ?
C48 Ce1 C46 57.13(15) . . ?
C47 Ce1 C46 30.36(15) . . ?
N3 Ce1 C46 174.86(13) . . ?
N4 Ce1 C41 139.62(13) . . ?
C45 Ce1 C41 85.09(14) . . ?
C44 Ce1 C41 77.56(15) . . ?
C48 Ce1 C41 30.23(15) . . ?
C47 Ce1 C41 57.09(15) . . ?
N3 Ce1 C41 98.13(13) . . ?
C46 Ce1 C41 77.00(15) . . ?
N4 Ce1 C43 100.53(12) . . ?
C45 Ce1 C43 57.08(17) . . ?
C44 Ce1 C43 29.93(16) . . ?
C48 Ce1 C43 77.97(14) . . ?
C47 Ce1 C43 85.80(14) . . ?
N3 Ce1 C43 101.56(15) . . ?
C46 Ce1 C43 77.30(16) . . ?
C41 Ce1 C43 57.19(15) . . ?
N4 Ce1 C42 115.99(13) . . ?
C45 Ce1 C42 76.87(16) . . ?
C44 Ce1 C42 56.91(17) . . ?
C48 Ce1 C42 57.31(15) . . ?
C47 Ce1 C42 77.25(15) . . ?
N3 Ce1 C42 92.16(14) . . ?
C46 Ce1 C42 84.41(15) . . ?
C41 Ce1 C42 29.90(15) . . ?
C43 Ce1 C42 29.87(16) . . ?
N4 Ce1 N1 94.44(9) . . ?
C45 Ce1 N1 127.14(14) . . ?
C44 Ce1 N1 157.25(14) . . ?
C48 Ce1 N1 84.86(11) . . ?
C47 Ce1 N1 83.28(12) . . ?
N3 Ce1 N1 79.18(11) . . ?
C46 Ce1 N1 100.23(14) . . ?
C41 Ce1 N1 103.81(13) . . ?
C43 Ce1 N1 160.99(13) . . ?
C42 Ce1 N1 131.62(14) . . ?
N4 Ce1 N2 72.66(9) . . ?
C45 Ce1 N2 95.94(12) . . ?
C44 Ce1 N2 119.00(13) . . ?
C48 Ce1 N2 115.10(12) . . ?
C47 Ce1 N2 93.38(12) . . ?
N3 Ce1 N2 97.16(10) . . ?
C46 Ce1 N2 86.09(12) . . ?
C41 Ce1 N2 144.32(13) . . ?
C43 Ce1 N2 148.32(14) . . ?
C42 Ce1 N2 170.24(13) . . ?
N1 Ce1 N2 48.32(10) . . ?
N1 Ce2 N2 50.18(10) . . ?
N1 Ce2 C53 144.67(19) . . ?
N2 Ce2 C53 163.2(2) . . ?
N1 Ce2 C54 173.02(17) . . ?
N2 Ce2 C54 134.75(17) . . ?
C53 Ce2 C54 29.6(2) . . ?
N1 Ce2 C52 118.0(2) . . ?
N2 Ce2 C52 165.1(2) . . ?
C53 Ce2 C52 31.4(2) . . ?
C54 Ce2 C52 58.1(2) . . ?
N1 Ce2 C56 132.08(16) . . ?
N2 Ce2 C56 97.37(14) . . ?
C53 Ce2 C56 75.47(18) . . ?
C54 Ce2 C56 54.7(2) . . ?
C52 Ce2 C56 85.29(16) . . ?
N1 Ce2 C57 110.23(15) . . ?
N2 Ce2 C57 96.60(13) . . ?
C53 Ce2 C57 84.56(16) . . ?
C54 Ce2 C57 75.28(18) . . ?
C52 Ce2 C57 78.50(18) . . ?
C56 Ce2 C57 29.41(19) . . ?
N1 Ce2 C51 100.27(15) . . ?
N2 Ce2 C51 134.5(2) . . ?
C53 Ce2 C51 59.6(2) . . ?
C54 Ce2 C51 78.84(19) . . ?
C52 Ce2 C51 31.7(2) . . ?
C56 Ce2 C51 77.79(19) . . ?
C57 Ce2 C51 57.9(2) . . ?
N1 Ce2 N4 95.22(9) . . ?
N2 Ce2 N4 73.41(9) . . ?
C53 Ce2 N4 94.30(16) . . ?
C54 Ce2 N4 82.87(13) . . ?
C52 Ce2 N4 119.7(2) . . ?
C56 Ce2 N4 108.93(16) . . ?
C57 Ce2 N4 137.05(17) . . ?
C51 Ce2 N4 151.4(2) . . ?
N1 Ce2 C55 158.39(16) . . ?
N2 Ce2 C55 111.78(15) . . ?
C53 Ce2 C55 55.5(2) . . ?
C54 Ce2 C55 28.56(19) . . ?
C52 Ce2 C55 77.2(2) . . ?
C56 Ce2 C55 28.50(18) . . ?
C57 Ce2 C55 55.2(2) . . ?
C51 Ce2 C55 85.31(17) . . ?
N4 Ce2 C55 89.09(15) . . ?
N1 Ce2 C58 97.97(13) . . ?
N2 Ce2 C58 110.07(15) . . ?
C53 Ce2 C58 78.97(18) . . ?
C54 Ce2 C58 84.85(16) . . ?
C52 Ce2 C58 59.3(2) . . ?
C56 Ce2 C58 56.5(2) . . ?
C57 Ce2 C58 29.8(2) . . ?
C51 Ce2 C58 31.0(2) . . ?
N4 Ce2 C58 165.00(15) . . ?
C55 Ce2 C58 76.03(18) . . ?
N1 Ce2 N3 78.63(10) . . ?
N2 Ce2 N3 96.76(9) . . ?
C53 Ce2 N3 82.66(13) . . ?
C54 Ce2 N3 95.20(15) . . ?
C52 Ce2 N3 88.54(16) . . ?
C56 Ce2 N3 147.28(17) . . ?
C57 Ce2 N3 166.64(14) . . ?
C51 Ce2 N3 111.59(19) . . ?
N4 Ce2 N3 48.33(10) . . ?
C55 Ce2 N3 118.95(16) . . ?
C58 Ce2 N3 141.97(18) . . ?
C1 N1 C7 116.0(4) . . ?
C1 N1 Ce2 92.6(2) . . ?
C7 N1 Ce2 134.6(2) . . ?
C1 N1 Ce1 85.8(2) . . ?
C7 N1 Ce1 129.0(2) . . ?
Ce2 N1 Ce1 84.85(10) . . ?
C1 N2 C13 122.5(3) . . ?
C1 N2 Ce2 91.9(2) . . ?
C13 N2 Ce2 127.4(2) . . ?
C1 N2 Ce1 84.5(2) . . ?
C13 N2 Ce1 132.9(2) . . ?
Ce2 N2 Ce1 83.69(9) . . ?
C21 N3 C27 119.1(5) . . ?
C21 N3 C27' 110.7(6) . . ?
C27 N3 C27' 21.5(5) . . ?
C21 N3 Ce1 91.0(2) . . ?
C27 N3 Ce1 139.8(4) . . ?
C27' N3 Ce1 126.7(6) . . ?
C21 N3 Ce2 82.8(2) . . ?
C27 N3 Ce2 124.7(4) . . ?
C27' N3 Ce2 146.1(7) . . ?
Ce1 N3 Ce2 82.13(10) . . ?
C21 N4 C33 117.4(3) . . ?
C21 N4 Ce1 92.9(2) . . ?
C33 N4 Ce1 135.2(2) . . ?
C21 N4 Ce2 87.2(2) . . ?
C33 N4 Ce2 125.6(2) . . ?
Ce1 N4 Ce2 85.28(9) . . ?
N2 C1 N1 114.1(3) . . ?
N2 C1 C2 123.5(4) . . ?
N1 C1 C2 122.3(4) . . ?
N2 C1 Ce1 68.78(19) . . ?
N1 C1 Ce1 67.2(2) . . ?
C2 C1 Ce1 130.7(2) . . ?
N2 C1 Ce2 61.9(2) . . ?
N1 C1 Ce2 60.9(2) . . ?
C2 C1 Ce2 154.6(3) . . ?
Ce1 C1 Ce2 74.69(9) . . ?
C3 C2 C1 174.5(4) . . ?
C2 C3 C4 177.6(5) . . ?
C3 C4 C5 119.4(4) . . ?
C3 C4 C6 117.5(5) . . ?
C5 C4 C6 60.5(4) . . ?
C4 C5 C6 60.2(3) . . ?
C4 C6 C5 59.2(3) . . ?
N1 C7 C8 110.2(4) . . ?
N1 C7 C12 111.2(3) . . ?
C8 C7 C12 110.2(4) . . ?
C7 C8 C9 111.8(5) . . ?
C8 C9 C10 111.0(4) . . ?
C11 C10 C9 111.4(5) . . ?
C10 C11 C12 111.7(6) . . ?
C11 C12 C7 110.0(4) . . ?
N2 C13 C14 115.1(4) . . ?
N2 C13 C18 113.7(3) . . ?
C14 C13 C18 112.0(4) . . ?
C13 C14 C15 112.1(4) . . ?
C16 C15 C14 112.0(4) . . ?
C17 C16 C15 113.1(4) . . ?
C16 C17 C18 111.7(4) . . ?
C13 C18 C17 110.0(4) . . ?
N3 C21 N4 115.1(3) . . ?
N3 C21 C22 121.6(4) . . ?
N4 C21 C22 122.4(4) . . ?
N3 C21 C22' 127.7(7) . . ?
N4 C21 C22' 116.3(7) . . ?
C22 C21 C22' 17.9(5) . . ?
N3 C21 Ce2 70.7(2) . . ?
N4 C21 Ce2 65.8(2) . . ?
C22 C21 Ce2 125.1(4) . . ?
C22' C21 Ce2 141.1(6) . . ?
N3 C21 Ce1 62.9(2) . . ?
N4 C21 Ce1 60.69(18) . . ?
C22 C21 Ce1 160.4(4) . . ?
C22' C21 Ce1 142.9(7) . . ?
Ce2 C21 Ce1 74.43(9) . . ?
C23 C22 C21 171.6(7) . . ?
C22 C23 C24 178.0(8) . . ?
C26 C24 C23 122.4(8) . . ?
C26 C24 C25 59.1(6) . . ?
C23 C24 C25 119.3(7) . . ?
C26 C25 C24 59.8(5) . . ?
C25 C26 C24 61.1(5) . . ?
C23' C22' C21 171.3(15) . . ?
C22' C23' C24' 162.8(18) . . ?
C25' C24' C23' 122(2) . . ?
C25' C24' C26' 56.6(10) . . ?
C23' C24' C26' 123.4(19) . . ?
C26' C25' C24' 64.5(9) . . ?
C25' C26' C24' 58.9(8) . . ?
N3 C27 C32 112.6(7) . . ?
N3 C27 C28 106.4(6) . . ?
C32 C27 C28 109.4(7) . . ?
C27 C28 C29 110.4(6) . . ?
C30 C29 C28 113.2(8) . . ?
C29 C30 C31 110.5(8) . . ?
C30 C31 C32 111.4(7) . . ?
C27 C32 C31 111.8(7) . . ?
C28' C27' C32' 111.4(13) . . ?
C28' C27' N3 115.8(11) . . ?
C32' C27' N3 100.0(11) . . ?
C27' C28' C29' 111.0(11) . . ?
C30' C29' C28' 109.9(14) . . ?
C29' C30' C31' 109.8(14) . . ?
C30' C31' C32' 110.4(12) . . ?
C31' C32' C27' 110.0(11) . . ?
N4 C33 C38 110.4(3) . . ?
N4 C33 C34 112.4(3) . . ?
C38 C33 C34 109.5(3) . . ?
C33 C34 C35 110.5(3) . . ?
C36 C35 C34 112.2(4) . . ?
C35 C36 C37 111.0(4) . . ?
C36 C37 C38 111.1(3) . . ?
C33 C38 C37 110.9(3) . . ?
C42 C41 C48 135.4(5) . . ?
C42 C41 Ce1 75.6(3) . . ?
C48 C41 Ce1 74.6(2) . . ?
C41 C42 C43 135.8(5) . . ?
C41 C42 Ce1 74.5(3) . . ?
C43 C42 Ce1 74.9(3) . . ?
C44 C43 C42 134.4(5) . . ?
C44 C43 Ce1 74.2(2) . . ?
C42 C43 Ce1 75.2(3) . . ?
C43 C44 C45 134.7(4) . . ?
C43 C44 Ce1 75.9(3) . . ?
C45 C44 Ce1 74.8(2) . . ?
C44 C45 C46 135.2(5) . . ?
C44 C45 Ce1 75.0(3) . . ?
C46 C45 Ce1 75.3(3) . . ?
C45 C46 C47 135.5(5) . . ?
C45 C46 Ce1 74.4(3) . . ?
C47 C46 Ce1 74.6(2) . . ?
C48 C47 C46 134.2(4) . . ?
C48 C47 Ce1 75.1(2) . . ?
C46 C47 Ce1 75.0(2) . . ?
C47 C48 C41 134.7(4) . . ?
C47 C48 Ce1 75.1(2) . . ?
C41 C48 Ce1 75.2(2) . . ?
C58 C51 C52 132.7(6) . . ?
C58 C51 Ce2 75.2(3) . . ?
C52 C51 Ce2 74.0(3) . . ?
C53 C52 C51 132.4(5) . . ?
C53 C52 Ce2 74.1(3) . . ?
C51 C52 Ce2 74.3(3) . . ?
C54 C53 C52 135.2(6) . . ?
C54 C53 Ce2 75.4(3) . . ?
C52 C53 Ce2 74.5(3) . . ?
C55 C54 C53 136.4(6) . . ?
C55 C54 Ce2 76.4(3) . . ?
C53 C54 Ce2 75.0(3) . . ?
C56 C55 C54 136.7(6) . . ?
C56 C55 Ce2 75.2(3) . . ?
C54 C55 Ce2 75.1(3) . . ?
C55 C56 C57 136.4(6) . . ?
C55 C56 Ce2 76.3(3) . . ?
C57 C56 Ce2 75.4(3) . . ?
C56 C57 C58 136.4(5) . . ?
C56 C57 Ce2 75.2(3) . . ?
C58 C57 Ce2 75.9(3) . . ?
C57 C58 C51 133.7(5) . . ?
C57 C58 Ce2 74.4(3) . . ?
C51 C58 Ce2 73.8(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Ce2 N1 C1 18.8(2) . . . . ?
C53 Ce2 N1 C1 -172.9(3) . . . . ?
C54 Ce2 N1 C1 155.9(11) . . . . ?
C52 Ce2 N1 C1 -150.1(3) . . . . ?
C56 Ce2 N1 C1 -39.3(3) . . . . ?
C57 Ce2 N1 C1 -62.7(3) . . . . ?
C51 Ce2 N1 C1 -122.1(3) . . . . ?
N4 Ce2 N1 C1 82.1(2) . . . . ?
C55 Ce2 N1 C1 -18.7(5) . . . . ?
C58 Ce2 N1 C1 -90.7(3) . . . . ?
N3 Ce2 N1 C1 127.7(2) . . . . ?
N2 Ce2 N1 C7 150.2(4) . . . . ?
C53 Ce2 N1 C7 -41.5(5) . . . . ?
C54 Ce2 N1 C7 -72.7(13) . . . . ?
C52 Ce2 N1 C7 -18.7(4) . . . . ?
C56 Ce2 N1 C7 92.1(4) . . . . ?
C57 Ce2 N1 C7 68.7(4) . . . . ?
C51 Ce2 N1 C7 9.3(4) . . . . ?
N4 Ce2 N1 C7 -146.5(4) . . . . ?
C55 Ce2 N1 C7 112.7(5) . . . . ?
C58 Ce2 N1 C7 40.7(4) . . . . ?
N3 Ce2 N1 C7 -100.9(4) . . . . ?
N2 Ce2 N1 Ce1 -66.68(10) . . . . ?
C53 Ce2 N1 Ce1 101.6(2) . . . . ?
C54 Ce2 N1 Ce1 70.4(12) . . . . ?
C52 Ce2 N1 Ce1 124.4(2) . . . . ?
C56 Ce2 N1 Ce1 -124.82(19) . . . . ?
C57 Ce2 N1 Ce1 -148.18(16) . . . . ?
C51 Ce2 N1 Ce1 152.41(19) . . . . ?
N4 Ce2 N1 Ce1 -3.40(9) . . . . ?
C55 Ce2 N1 Ce1 -104.2(4) . . . . ?
C58 Ce2 N1 Ce1 -176.23(17) . . . . ?
N3 Ce2 N1 Ce1 42.23(9) . . . . ?
N4 Ce1 N1 C1 -89.6(2) . . . . ?
C45 Ce1 N1 C1 32.4(3) . . . . ?
C44 Ce1 N1 C1 36.0(4) . . . . ?
C48 Ce1 N1 C1 103.0(2) . . . . ?
C47 Ce1 N1 C1 73.1(2) . . . . ?
N3 Ce1 N1 C1 -137.4(2) . . . . ?
C46 Ce1 N1 C1 47.8(2) . . . . ?
C41 Ce1 N1 C1 126.7(2) . . . . ?
C43 Ce1 N1 C1 128.4(4) . . . . ?
C42 Ce1 N1 C1 139.4(2) . . . . ?
N2 Ce1 N1 C1 -27.6(2) . . . . ?
N4 Ce1 N1 C7 150.1(4) . . . . ?
C45 Ce1 N1 C7 -87.9(4) . . . . ?
C44 Ce1 N1 C7 -84.3(5) . . . . ?
C48 Ce1 N1 C7 -17.3(4) . . . . ?
C47 Ce1 N1 C7 -47.3(4) . . . . ?
N3 Ce1 N1 C7 102.2(4) . . . . ?
C46 Ce1 N1 C7 -72.6(4) . . . . ?
C41 Ce1 N1 C7 6.4(4) . . . . ?
C43 Ce1 N1 C7 8.1(6) . . . . ?
C42 Ce1 N1 C7 19.0(4) . . . . ?
N2 Ce1 N1 C7 -147.9(4) . . . . ?
N4 Ce1 N1 Ce2 3.46(9) . . . . ?
C45 Ce1 N1 Ce2 125.44(13) . . . . ?
C44 Ce1 N1 Ce2 129.1(3) . . . . ?
C48 Ce1 N1 Ce2 -163.96(13) . . . . ?
C47 Ce1 N1 Ce2 166.09(14) . . . . ?
N3 Ce1 N1 Ce2 -44.41(10) . . . . ?
C46 Ce1 N1 Ce2 140.79(12) . . . . ?
C41 Ce1 N1 Ce2 -140.23(13) . . . . ?
C43 Ce1 N1 Ce2 -138.5(4) . . . . ?
C42 Ce1 N1 Ce2 -127.61(16) . . . . ?
N2 Ce1 N1 Ce2 65.47(11) . . . . ?
N1 Ce2 N2 C1 -19.0(2) . . . . ?
C53 Ce2 N2 C1 -175.1(4) . . . . ?
C54 Ce2 N2 C1 167.7(2) . . . . ?
C52 Ce2 N2 C1 22.1(6) . . . . ?
C56 Ce2 N2 C1 121.5(3) . . . . ?
C57 Ce2 N2 C1 91.9(3) . . . . ?
C51 Ce2 N2 C1 41.4(3) . . . . ?
N4 Ce2 N2 C1 -130.9(2) . . . . ?
C55 Ce2 N2 C1 147.0(2) . . . . ?
C58 Ce2 N2 C1 64.5(3) . . . . ?
N3 Ce2 N2 C1 -88.1(2) . . . . ?
N1 Ce2 N2 C13 -153.7(3) . . . . ?
C53 Ce2 N2 C13 50.3(6) . . . . ?
C54 Ce2 N2 C13 33.0(4) . . . . ?
C52 Ce2 N2 C13 -112.6(5) . . . . ?
C56 Ce2 N2 C13 -13.1(3) . . . . ?
C57 Ce2 N2 C13 -42.8(3) . . . . ?
C51 Ce2 N2 C13 -93.3(3) . . . . ?
N4 Ce2 N2 C13 94.5(3) . . . . ?
C55 Ce2 N2 C13 12.4(3) . . . . ?
C58 Ce2 N2 C13 -70.1(3) . . . . ?
N3 Ce2 N2 C13 137.3(3) . . . . ?
N1 Ce2 N2 Ce1 65.26(11) . . . . ?
C53 Ce2 N2 Ce1 -90.8(4) . . . . ?
C54 Ce2 N2 Ce1 -108.06(19) . . . . ?
C52 Ce2 N2 Ce1 106.3(5) . . . . ?
C56 Ce2 N2 Ce1 -154.22(16) . . . . ?
C57 Ce2 N2 Ce1 176.15(17) . . . . ?
C51 Ce2 N2 Ce1 125.68(19) . . . . ?
N4 Ce2 N2 Ce1 -46.59(8) . . . . ?
C55 Ce2 N2 Ce1 -128.72(16) . . . . ?
C58 Ce2 N2 Ce1 148.79(16) . . . . ?
N3 Ce2 N2 Ce1 -3.81(10) . . . . ?
N4 Ce1 N2 C1 140.7(2) . . . . ?
C45 Ce1 N2 C1 -108.1(2) . . . . ?
C44 Ce1 N2 C1 -128.7(2) . . . . ?
C48 Ce1 N2 C1 -28.7(3) . . . . ?
C47 Ce1 N2 C1 -50.0(2) . . . . ?
N3 Ce1 N2 C1 96.5(2) . . . . ?
C46 Ce1 N2 C1 -79.5(2) . . . . ?
C41 Ce1 N2 C1 -18.3(3) . . . . ?
C43 Ce1 N2 C1 -137.4(3) . . . . ?
C42 Ce1 N2 C1 -66.1(8) . . . . ?
N1 Ce1 N2 C1 28.0(2) . . . . ?
N4 Ce1 N2 C13 -88.9(3) . . . . ?
C45 Ce1 N2 C13 22.3(4) . . . . ?
C44 Ce1 N2 C13 1.7(4) . . . . ?
C48 Ce1 N2 C13 101.7(4) . . . . ?
C47 Ce1 N2 C13 80.4(4) . . . . ?
N3 Ce1 N2 C13 -133.1(3) . . . . ?
C46 Ce1 N2 C13 50.9(4) . . . . ?
C41 Ce1 N2 C13 112.1(4) . . . . ?
C43 Ce1 N2 C13 -7.1(5) . . . . ?
C42 Ce1 N2 C13 64.3(9) . . . . ?
N1 Ce1 N2 C13 158.3(4) . . . . ?
N4 Ce1 N2 Ce2 48.13(9) . . . . ?
C45 Ce1 N2 Ce2 159.33(12) . . . . ?
C44 Ce1 N2 Ce2 138.72(12) . . . . ?
C48 Ce1 N2 Ce2 -121.28(12) . . . . ?
C47 Ce1 N2 Ce2 -142.52(13) . . . . ?
N3 Ce1 N2 Ce2 3.97(10) . . . . ?
C46 Ce1 N2 Ce2 -172.02(13) . . . . ?
C41 Ce1 N2 Ce2 -110.8(2) . . . . ?
C43 Ce1 N2 Ce2 130.0(2) . . . . ?
C42 Ce1 N2 Ce2 -158.7(8) . . . . ?
N1 Ce1 N2 Ce2 -64.61(11) . . . . ?
N4 Ce1 N3 C21 18.6(2) . . . . ?
C45 Ce1 N3 C21 -38.6(4) . . . . ?
C44 Ce1 N3 C21 -53.1(3) . . . . ?
C48 Ce1 N3 C21 -157.9(2) . . . . ?
C47 Ce1 N3 C21 -174.8(2) . . . . ?
C46 Ce1 N3 C21 -152.3(15) . . . . ?
C41 Ce1 N3 C21 -133.5(3) . . . . ?
C43 Ce1 N3 C21 -75.5(3) . . . . ?
C42 Ce1 N3 C21 -104.1(3) . . . . ?
N1 Ce1 N3 C21 123.9(3) . . . . ?
N2 Ce1 N3 C21 78.8(3) . . . . ?
N4 Ce1 N3 C27 159.4(7) . . . . ?
C45 Ce1 N3 C27 102.2(7) . . . . ?
C44 Ce1 N3 C27 87.7(7) . . . . ?
C48 Ce1 N3 C27 -17.1(7) . . . . ?
C47 Ce1 N3 C27 -34.0(7) . . . . ?
C46 Ce1 N3 C27 -11.5(19) . . . . ?
C41 Ce1 N3 C27 7.3(7) . . . . ?
C43 Ce1 N3 C27 65.3(7) . . . . ?
C42 Ce1 N3 C27 36.7(7) . . . . ?
N1 Ce1 N3 C27 -95.3(7) . . . . ?
N2 Ce1 N3 C27 -140.4(7) . . . . ?
N4 Ce1 N3 C27' 135.7(8) . . . . ?
C45 Ce1 N3 C27' 78.4(8) . . . . ?
C44 Ce1 N3 C27' 64.0(8) . . . . ?
C48 Ce1 N3 C27' -40.8(8) . . . . ?
C47 Ce1 N3 C27' -57.7(8) . . . . ?
C46 Ce1 N3 C27' -35.2(19) . . . . ?
C41 Ce1 N3 C27' -16.5(8) . . . . ?
C43 Ce1 N3 C27' 41.6(8) . . . . ?
C42 Ce1 N3 C27' 13.0(8) . . . . ?
N1 Ce1 N3 C27' -119.1(8) . . . . ?
N2 Ce1 N3 C27' -164.1(8) . . . . ?
N4 Ce1 N3 Ce2 -63.96(11) . . . . ?
C45 Ce1 N3 Ce2 -121.2(2) . . . . ?
C44 Ce1 N3 Ce2 -135.69(13) . . . . ?
C48 Ce1 N3 Ce2 119.54(12) . . . . ?
C47 Ce1 N3 Ce2 102.6(2) . . . . ?
C46 Ce1 N3 Ce2 125.2(16) . . . . ?
C41 Ce1 N3 Ce2 143.89(12) . . . . ?
C43 Ce1 N3 Ce2 -158.08(12) . . . . ?
C42 Ce1 N3 Ce2 173.32(13) . . . . ?
N1 Ce1 N3 Ce2 41.29(9) . . . . ?
N2 Ce1 N3 Ce2 -3.77(10) . . . . ?
N1 Ce2 N3 C21 -135.2(2) . . . . ?
N2 Ce2 N3 C21 -88.1(2) . . . . ?
C53 Ce2 N3 C21 75.0(3) . . . . ?
C54 Ce2 N3 C21 48.1(3) . . . . ?
C52 Ce2 N3 C21 105.9(3) . . . . ?
C56 Ce2 N3 C21 26.9(4) . . . . ?
C57 Ce2 N3 C21 92.0(8) . . . . ?
C51 Ce2 N3 C21 128.2(3) . . . . ?
N4 Ce2 N3 C21 -27.5(2) . . . . ?
C55 Ce2 N3 C21 31.4(3) . . . . ?
C58 Ce2 N3 C21 136.4(3) . . . . ?
N1 Ce2 N3 C27 104.2(5) . . . . ?
N2 Ce2 N3 C27 151.2(5) . . . . ?
C53 Ce2 N3 C27 -45.7(5) . . . . ?
C54 Ce2 N3 C27 -72.5(5) . . . . ?
C52 Ce2 N3 C27 -14.7(5) . . . . ?
C56 Ce2 N3 C27 -93.7(6) . . . . ?
C57 Ce2 N3 C27 -28.6(10) . . . . ?
C51 Ce2 N3 C27 7.6(5) . . . . ?
N4 Ce2 N3 C27 -148.1(5) . . . . ?
C55 Ce2 N3 C27 -89.2(5) . . . . ?
C58 Ce2 N3 C27 15.8(6) . . . . ?
N1 Ce2 N3 C27' 108.0(10) . . . . ?
N2 Ce2 N3 C27' 155.0(10) . . . . ?
C53 Ce2 N3 C27' -41.9(11) . . . . ?
C54 Ce2 N3 C27' -68.7(11) . . . . ?
C52 Ce2 N3 C27' -11.0(11) . . . . ?
C56 Ce2 N3 C27' -89.9(11) . . . . ?
C57 Ce2 N3 C27' -24.8(14) . . . . ?
C51 Ce2 N3 C27' 11.4(11) . . . . ?
N4 Ce2 N3 C27' -144.3(11) . . . . ?
C55 Ce2 N3 C27' -85.4(11) . . . . ?
C58 Ce2 N3 C27' 19.6(11) . . . . ?
N1 Ce2 N3 Ce1 -43.11(9) . . . . ?
N2 Ce2 N3 Ce1 3.91(10) . . . . ?
C53 Ce2 N3 Ce1 167.0(2) . . . . ?
C54 Ce2 N3 Ce1 140.19(16) . . . . ?
C52 Ce2 N3 Ce1 -162.1(2) . . . . ?
C56 Ce2 N3 Ce1 119.0(2) . . . . ?
C57 Ce2 N3 Ce1 -175.9(7) . . . . ?
C51 Ce2 N3 Ce1 -139.77(16) . . . . ?
N4 Ce2 N3 Ce1 64.54(11) . . . . ?
C55 Ce2 N3 Ce1 123.43(16) . . . . ?
C58 Ce2 N3 Ce1 -131.5(2) . . . . ?
C45 Ce1 N4 C21 136.5(2) . . . . ?
C44 Ce1 N4 C21 108.3(3) . . . . ?
C48 Ce1 N4 C21 -4.0(6) . . . . ?
C47 Ce1 N4 C21 -172.0(4) . . . . ?
N3 Ce1 N4 C21 -18.4(2) . . . . ?
C46 Ce1 N4 C21 160.4(2) . . . . ?
C41 Ce1 N4 C21 27.1(3) . . . . ?
C43 Ce1 N4 C21 77.9(3) . . . . ?
C42 Ce1 N4 C21 50.9(3) . . . . ?
N1 Ce1 N4 C21 -90.3(2) . . . . ?
N2 Ce1 N4 C21 -134.0(2) . . . . ?
C45 Ce1 N4 C33 1.6(4) . . . . ?
C44 Ce1 N4 C33 -26.6(3) . . . . ?
C48 Ce1 N4 C33 -138.9(5) . . . . ?
C47 Ce1 N4 C33 53.1(6) . . . . ?
N3 Ce1 N4 C33 -153.3(4) . . . . ?
C46 Ce1 N4 C33 25.6(4) . . . . ?
C41 Ce1 N4 C33 -107.7(3) . . . . ?
C43 Ce1 N4 C33 -56.9(3) . . . . ?
C42 Ce1 N4 C33 -84.0(3) . . . . ?
N1 Ce1 N4 C33 134.8(3) . . . . ?
N2 Ce1 N4 C33 91.1(3) . . . . ?
C45 Ce1 N4 Ce2 -136.56(13) . . . . ?
C44 Ce1 N4 Ce2 -164.83(13) . . . . ?
C48 Ce1 N4 Ce2 82.9(5) . . . . ?
C47 Ce1 N4 Ce2 -85.1(4) . . . . ?
N3 Ce1 N4 Ce2 68.51(13) . . . . ?
C46 Ce1 N4 Ce2 -112.64(17) . . . . ?
C41 Ce1 N4 Ce2 114.05(18) . . . . ?
C43 Ce1 N4 Ce2 164.84(14) . . . . ?
C42 Ce1 N4 Ce2 137.79(14) . . . . ?
N1 Ce1 N4 Ce2 -3.38(9) . . . . ?
N2 Ce1 N4 Ce2 -47.09(8) . . . . ?
N1 Ce2 N4 C21 96.7(2) . . . . ?
N2 Ce2 N4 C21 142.4(2) . . . . ?
C53 Ce2 N4 C21 -49.2(3) . . . . ?
C54 Ce2 N4 C21 -76.6(3) . . . . ?
C52 Ce2 N4 C21 -29.8(3) . . . . ?
C56 Ce2 N4 C21 -125.3(2) . . . . ?
C57 Ce2 N4 C21 -135.9(2) . . . . ?
C51 Ce2 N4 C21 -26.0(4) . . . . ?
C55 Ce2 N4 C21 -104.5(2) . . . . ?
C58 Ce2 N4 C21 -111.8(6) . . . . ?
N3 Ce2 N4 C21 27.0(2) . . . . ?
N1 Ce2 N4 C33 -141.2(3) . . . . ?
N2 Ce2 N4 C33 -95.5(3) . . . . ?
C53 Ce2 N4 C33 72.8(3) . . . . ?
C54 Ce2 N4 C33 45.5(3) . . . . ?
C52 Ce2 N4 C33 92.2(3) . . . . ?
C56 Ce2 N4 C33 -3.3(3) . . . . ?
C57 Ce2 N4 C33 -13.8(3) . . . . ?
C51 Ce2 N4 C33 96.0(4) . . . . ?
C55 Ce2 N4 C33 17.6(3) . . . . ?
C58 Ce2 N4 C33 10.2(7) . . . . ?
N3 Ce2 N4 C33 149.0(3) . . . . ?
N1 Ce2 N4 Ce1 3.50(10) . . . . ?
N2 Ce2 N4 Ce1 49.21(9) . . . . ?
C53 Ce2 N4 Ce1 -142.43(17) . . . . ?
C54 Ce2 N4 Ce1 -169.75(18) . . . . ?
C52 Ce2 N4 Ce1 -123.03(17) . . . . ?
C56 Ce2 N4 Ce1 141.47(14) . . . . ?
C57 Ce2 N4 Ce1 130.92(17) . . . . ?
C51 Ce2 N4 Ce1 -119.2(3) . . . . ?
C55 Ce2 N4 Ce1 162.29(16) . . . . ?
C58 Ce2 N4 Ce1 155.0(6) . . . . ?
N3 Ce2 N4 Ce1 -66.23(11) . . . . ?
C13 N2 C1 N1 170.4(3) . . . . ?
Ce2 N2 C1 N1 32.5(3) . . . . ?
Ce1 N2 C1 N1 -51.0(3) . . . . ?
C13 N2 C1 C2 -13.0(5) . . . . ?
Ce2 N2 C1 C2 -151.0(3) . . . . ?
Ce1 N2 C1 C2 125.5(3) . . . . ?
C13 N2 C1 Ce1 -138.6(3) . . . . ?
Ce2 N2 C1 Ce1 83.47(9) . . . . ?
C13 N2 C1 Ce2 137.9(4) . . . . ?
Ce1 N2 C1 Ce2 -83.47(9) . . . . ?
C7 N1 C1 N2 -176.4(3) . . . . ?
Ce2 N1 C1 N2 -32.8(3) . . . . ?
Ce1 N1 C1 N2 51.8(3) . . . . ?
C7 N1 C1 C2 7.0(5) . . . . ?
Ce2 N1 C1 C2 150.6(3) . . . . ?
Ce1 N1 C1 C2 -124.8(3) . . . . ?
C7 N1 C1 Ce1 131.8(3) . . . . ?
Ce2 N1 C1 Ce1 -84.63(10) . . . . ?
C7 N1 C1 Ce2 -143.6(3) . . . . ?
Ce1 N1 C1 Ce2 84.63(10) . . . . ?
N4 Ce1 C1 N2 -37.3(2) . . . . ?
C45 Ce1 C1 N2 76.3(2) . . . . ?
C44 Ce1 C1 N2 68.3(3) . . . . ?
C48 Ce1 C1 N2 154.2(2) . . . . ?
C47 Ce1 C1 N2 128.1(3) . . . . ?
N3 Ce1 C1 N2 -87.4(2) . . . . ?
C46 Ce1 C1 N2 97.7(2) . . . . ?
C41 Ce1 C1 N2 168.0(2) . . . . ?
C43 Ce1 C1 N2 95.9(4) . . . . ?
C42 Ce1 C1 N2 162.9(3) . . . . ?
N1 Ce1 C1 N2 -129.7(3) . . . . ?
N4 Ce1 C1 N1 92.4(2) . . . . ?
C45 Ce1 C1 N1 -154.0(2) . . . . ?
C44 Ce1 C1 N1 -161.9(2) . . . . ?
C48 Ce1 C1 N1 -76.1(2) . . . . ?
C47 Ce1 C1 N1 -102.1(2) . . . . ?
N3 Ce1 C1 N1 42.3(2) . . . . ?
C46 Ce1 C1 N1 -132.6(2) . . . . ?
C41 Ce1 C1 N1 -62.3(3) . . . . ?
C43 Ce1 C1 N1 -134.4(4) . . . . ?
C42 Ce1 C1 N1 -67.4(3) . . . . ?
N2 Ce1 C1 N1 129.7(3) . . . . ?
N4 Ce1 C1 C2 -153.9(4) . . . . ?
C45 Ce1 C1 C2 -40.2(4) . . . . ?
C44 Ce1 C1 C2 -48.2(4) . . . . ?
C48 Ce1 C1 C2 37.6(4) . . . . ?
C47 Ce1 C1 C2 11.6(4) . . . . ?
N3 Ce1 C1 C2 156.1(4) . . . . ?
C46 Ce1 C1 C2 -18.9(4) . . . . ?
C41 Ce1 C1 C2 51.4(4) . . . . ?
C43 Ce1 C1 C2 -20.7(6) . . . . ?
C42 Ce1 C1 C2 46.3(5) . . . . ?
N1 Ce1 C1 C2 113.7(5) . . . . ?
N2 Ce1 C1 C2 -116.6(5) . . . . ?
N4 Ce1 C1 Ce2 28.01(9) . . . . ?
C45 Ce1 C1 Ce2 141.65(11) . . . . ?
C44 Ce1 C1 Ce2 133.65(14) . . . . ?
C48 Ce1 C1 Ce2 -140.49(12) . . . . ?
C47 Ce1 C1 Ce2 -166.55(14) . . . . ?
N3 Ce1 C1 Ce2 -22.09(11) . . . . ?
C46 Ce1 C1 Ce2 163.00(13) . . . . ?
C41 Ce1 C1 Ce2 -126.70(13) . . . . ?
C43 Ce1 C1 Ce2 161.2(3) . . . . ?
C42 Ce1 C1 Ce2 -131.8(2) . . . . ?
N1 Ce1 C1 Ce2 -64.40(19) . . . . ?
N2 Ce1 C1 Ce2 65.3(2) . . . . ?
N1 Ce2 C1 N2 145.9(3) . . . . ?
C53 Ce2 C1 N2 171.4(7) . . . . ?
C54 Ce2 C1 N2 -25.9(5) . . . . ?
C52 Ce2 C1 N2 -171.4(3) . . . . ?
C56 Ce2 C1 N2 -64.2(3) . . . . ?
C57 Ce2 C1 N2 -91.2(3) . . . . ?
C51 Ce2 C1 N2 -149.1(3) . . . . ?
N4 Ce2 C1 N2 46.5(2) . . . . ?
C55 Ce2 C1 N2 -43.4(3) . . . . ?
C58 Ce2 C1 N2 -121.2(3) . . . . ?
N3 Ce2 C1 N2 94.7(2) . . . . ?
N2 Ce2 C1 N1 -145.9(3) . . . . ?
C53 Ce2 C1 N1 25.6(8) . . . . ?
C54 Ce2 C1 N1 -171.8(4) . . . . ?
C52 Ce2 C1 N1 42.7(3) . . . . ?
C56 Ce2 C1 N1 149.9(2) . . . . ?
C57 Ce2 C1 N1 122.9(3) . . . . ?
C51 Ce2 C1 N1 65.0(3) . . . . ?
N4 Ce2 C1 N1 -99.4(2) . . . . ?
C55 Ce2 C1 N1 170.8(3) . . . . ?
C58 Ce2 C1 N1 92.9(3) . . . . ?
N3 Ce2 C1 N1 -51.1(2) . . . . ?
N1 Ce2 C1 C2 -104.6(8) . . . . ?
N2 Ce2 C1 C2 109.5(8) . . . . ?
C53 Ce2 C1 C2 -79.1(11) . . . . ?
C54 Ce2 C1 C2 83.6(8) . . . . ?
C52 Ce2 C1 C2 -61.9(8) . . . . ?
C56 Ce2 C1 C2 45.3(7) . . . . ?
C57 Ce2 C1 C2 18.3(7) . . . . ?
C51 Ce2 C1 C2 -39.6(7) . . . . ?
N4 Ce2 C1 C2 156.0(7) . . . . ?
C55 Ce2 C1 C2 66.1(7) . . . . ?
C58 Ce2 C1 C2 -11.7(7) . . . . ?
N3 Ce2 C1 C2 -155.8(7) . . . . ?
N1 Ce2 C1 Ce1 72.1(2) . . . . ?
N2 Ce2 C1 Ce1 -73.78(19) . . . . ?
C53 Ce2 C1 Ce1 97.6(8) . . . . ?
C54 Ce2 C1 Ce1 -99.7(4) . . . . ?
C52 Ce2 C1 Ce1 114.8(2) . . . . ?
C56 Ce2 C1 Ce1 -138.00(16) . . . . ?
C57 Ce2 C1 Ce1 -165.02(17) . . . . ?
C51 Ce2 C1 Ce1 137.08(17) . . . . ?
N4 Ce2 C1 Ce1 -27.32(9) . . . . ?
C55 Ce2 C1 Ce1 -117.16(19) . . . . ?
C58 Ce2 C1 Ce1 164.99(17) . . . . ?
N3 Ce2 C1 Ce1 20.93(10) . . . . ?
N2 C1 C2 C3 -114(5) . . . . ?
N1 C1 C2 C3 62(6) . . . . ?
Ce1 C1 C2 C3 -24(6) . . . . ?
Ce2 C1 C2 C3 152(5) . . . . ?
C1 C2 C3 C4 47(17) . . . . ?
C2 C3 C4 C5 160(13) . . . . ?
C2 C3 C4 C6 -130(13) . . . . ?
C3 C4 C5 C6 106.9(6) . . . . ?
C3 C4 C6 C5 -110.0(5) . . . . ?
C1 N1 C7 C8 -165.4(3) . . . . ?
Ce2 N1 C7 C8 71.0(4) . . . . ?
Ce1 N1 C7 C8 -58.6(5) . . . . ?
C1 N1 C7 C12 72.1(5) . . . . ?
Ce2 N1 C7 C12 -51.4(6) . . . . ?
Ce1 N1 C7 C12 178.9(3) . . . . ?
N1 C7 C8 C9 179.3(4) . . . . ?
C12 C7 C8 C9 -57.6(5) . . . . ?
C7 C8 C9 C10 55.1(7) . . . . ?
C8 C9 C10 C11 -53.1(8) . . . . ?
C9 C10 C11 C12 54.9(7) . . . . ?
C10 C11 C12 C7 -57.1(6) . . . . ?
N1 C7 C12 C11 -179.5(5) . . . . ?
C8 C7 C12 C11 58.1(6) . . . . ?
C1 N2 C13 C14 78.5(5) . . . . ?
Ce2 N2 C13 C14 -158.9(3) . . . . ?
Ce1 N2 C13 C14 -37.4(5) . . . . ?
C1 N2 C13 C18 -52.4(5) . . . . ?
Ce2 N2 C13 C18 70.1(4) . . . . ?
Ce1 N2 C13 C18 -168.4(3) . . . . ?
N2 C13 C14 C15 173.5(4) . . . . ?
C18 C13 C14 C15 -54.7(6) . . . . ?
C13 C14 C15 C16 52.1(6) . . . . ?
C14 C15 C16 C17 -52.1(6) . . . . ?
C15 C16 C17 C18 53.6(6) . . . . ?
N2 C13 C18 C17 -172.3(4) . . . . ?
C14 C13 C18 C17 55.2(5) . . . . ?
C16 C17 C18 C13 -54.5(5) . . . . ?
C27 N3 C21 N4 175.8(5) . . . . ?
C27' N3 C21 N4 -162.3(7) . . . . ?
Ce1 N3 C21 N4 -32.1(3) . . . . ?
Ce2 N3 C21 N4 49.9(3) . . . . ?
C27 N3 C21 C22 5.9(8) . . . . ?
C27' N3 C21 C22 27.8(9) . . . . ?
Ce1 N3 C21 C22 158.0(5) . . . . ?
Ce2 N3 C21 C22 -120.0(5) . . . . ?
C27 N3 C21 C22' -14.6(10) . . . . ?
C27' N3 C21 C22' 7.2(11) . . . . ?
Ce1 N3 C21 C22' 137.5(8) . . . . ?
Ce2 N3 C21 C22' -140.6(8) . . . . ?
C27 N3 C21 Ce2 125.9(5) . . . . ?
C27' N3 C21 Ce2 147.8(7) . . . . ?
Ce1 N3 C21 Ce2 -81.93(9) . . . . ?
C27 N3 C21 Ce1 -152.1(5) . . . . ?
C27' N3 C21 Ce1 -130.3(7) . . . . ?
Ce2 N3 C21 Ce1 81.93(9) . . . . ?
C33 N4 C21 N3 178.6(3) . . . . ?
Ce1 N4 C21 N3 32.8(4) . . . . ?
Ce2 N4 C21 N3 -52.3(3) . . . . ?
C33 N4 C21 C22 -11.6(7) . . . . ?
Ce1 N4 C21 C22 -157.4(5) . . . . ?
Ce2 N4 C21 C22 117.5(5) . . . . ?
C33 N4 C21 C22' 7.8(8) . . . . ?
Ce1 N4 C21 C22' -138.0(7) . . . . ?
Ce2 N4 C21 C22' 136.9(7) . . . . ?
C33 N4 C21 Ce2 -129.1(3) . . . . ?
Ce1 N4 C21 Ce2 85.12(9) . . . . ?
C33 N4 C21 Ce1 145.8(3) . . . . ?
Ce2 N4 C21 Ce1 -85.12(9) . . . . ?
N1 Ce2 C21 N3 44.2(2) . . . . ?
N2 Ce2 C21 N3 94.7(2) . . . . ?
C53 Ce2 C21 N3 -100.3(3) . . . . ?
C54 Ce2 C21 N3 -130.6(3) . . . . ?
C52 Ce2 C21 N3 -75.1(3) . . . . ?
C56 Ce2 C21 N3 -163.1(2) . . . . ?
C57 Ce2 C21 N3 -151.6(3) . . . . ?
C51 Ce2 C21 N3 -64.4(3) . . . . ?
N4 Ce2 C21 N3 130.6(3) . . . . ?
C55 Ce2 C21 N3 -152.8(2) . . . . ?
C58 Ce2 C21 N3 -83.6(4) . . . . ?
N1 Ce2 C21 N4 -86.4(2) . . . . ?
N2 Ce2 C21 N4 -35.9(2) . . . . ?
C53 Ce2 C21 N4 129.1(3) . . . . ?
C54 Ce2 C21 N4 98.8(3) . . . . ?
C52 Ce2 C21 N4 154.3(3) . . . . ?
C56 Ce2 C21 N4 66.2(3) . . . . ?
C57 Ce2 C21 N4 77.8(4) . . . . ?
C51 Ce2 C21 N4 164.9(2) . . . . ?
C55 Ce2 C21 N4 76.6(2) . . . . ?
C58 Ce2 C21 N4 145.8(4) . . . . ?
N3 Ce2 C21 N4 -130.6(3) . . . . ?
N1 Ce2 C21 C22 159.9(5) . . . . ?
N2 Ce2 C21 C22 -149.7(5) . . . . ?
C53 Ce2 C21 C22 15.4(5) . . . . ?
C54 Ce2 C21 C22 -14.9(5) . . . . ?
C52 Ce2 C21 C22 40.6(5) . . . . ?
C56 Ce2 C21 C22 -47.5(5) . . . . ?
C57 Ce2 C21 C22 -35.9(6) . . . . ?
C51 Ce2 C21 C22 51.2(5) . . . . ?
N4 Ce2 C21 C22 -113.7(5) . . . . ?
C55 Ce2 C21 C22 -37.1(5) . . . . ?
C58 Ce2 C21 C22 32.1(6) . . . . ?
N3 Ce2 C21 C22 115.6(5) . . . . ?
N1 Ce2 C21 C22' 171.0(10) . . . . ?
N2 Ce2 C21 C22' -138.5(10) . . . . ?
C53 Ce2 C21 C22' 26.6(10) . . . . ?
C54 Ce2 C21 C22' -3.8(10) . . . . ?
C52 Ce2 C21 C22' 51.7(11) . . . . ?
C56 Ce2 C21 C22' -36.3(11) . . . . ?
C57 Ce2 C21 C22' -24.8(11) . . . . ?
C51 Ce2 C21 C22' 62.4(11) . . . . ?
N4 Ce2 C21 C22' -102.5(11) . . . . ?
C55 Ce2 C21 C22' -25.9(10) . . . . ?
C58 Ce2 C21 C22' 43.2(11) . . . . ?
N3 Ce2 C21 C22' 126.8(11) . . . . ?
N1 Ce2 C21 Ce1 -21.99(10) . . . . ?
N2 Ce2 C21 Ce1 28.47(9) . . . . ?
C53 Ce2 C21 Ce1 -166.5(2) . . . . ?
C54 Ce2 C21 Ce1 163.20(18) . . . . ?
C52 Ce2 C21 Ce1 -141.31(17) . . . . ?
C56 Ce2 C21 Ce1 130.65(15) . . . . ?
C57 Ce2 C21 Ce1 142.2(3) . . . . ?
C51 Ce2 C21 Ce1 -130.63(16) . . . . ?
N4 Ce2 C21 Ce1 64.42(19) . . . . ?
C55 Ce2 C21 Ce1 141.03(14) . . . . ?
C58 Ce2 C21 Ce1 -149.8(3) . . . . ?
N3 Ce2 C21 Ce1 -66.2(2) . . . . ?
N4 Ce1 C21 N3 -146.6(4) . . . . ?
C45 Ce1 C21 N3 157.8(3) . . . . ?
C44 Ce1 C21 N3 136.0(3) . . . . ?
C48 Ce1 C21 N3 32.1(3) . . . . ?
C47 Ce1 C21 N3 18.6(9) . . . . ?
C46 Ce1 C21 N3 173.5(3) . . . . ?
C41 Ce1 C21 N3 52.5(3) . . . . ?
C43 Ce1 C21 N3 108.0(3) . . . . ?
C42 Ce1 C21 N3 78.2(3) . . . . ?
N1 Ce1 C21 N3 -54.9(3) . . . . ?
N2 Ce1 C21 N3 -103.2(3) . . . . ?
C45 Ce1 C21 N4 -55.6(3) . . . . ?
C44 Ce1 C21 N4 -77.4(2) . . . . ?
C48 Ce1 C21 N4 178.6(2) . . . . ?
C47 Ce1 C21 N4 165.2(7) . . . . ?
N3 Ce1 C21 N4 146.6(4) . . . . ?
C46 Ce1 C21 N4 -39.9(5) . . . . ?
C41 Ce1 C21 N4 -160.9(2) . . . . ?
C43 Ce1 C21 N4 -105.4(2) . . . . ?
C42 Ce1 C21 N4 -135.2(2) . . . . ?
N1 Ce1 C21 N4 91.7(2) . . . . ?
N2 Ce1 C21 N4 43.4(2) . . . . ?
N4 Ce1 C21 C22 104.8(12) . . . . ?
C45 Ce1 C21 C22 49.2(12) . . . . ?
C44 Ce1 C21 C22 27.4(12) . . . . ?
C48 Ce1 C21 C22 -76.5(12) . . . . ?
C47 Ce1 C21 C22 -90.0(14) . . . . ?
N3 Ce1 C21 C22 -108.6(12) . . . . ?
C46 Ce1 C21 C22 64.9(12) . . . . ?
C41 Ce1 C21 C22 -56.1(12) . . . . ?
C43 Ce1 C21 C22 -0.6(12) . . . . ?
C42 Ce1 C21 C22 -30.4(12) . . . . ?
N1 Ce1 C21 C22 -163.4(11) . . . . ?
N2 Ce1 C21 C22 148.2(11) . . . . ?
N4 Ce1 C21 C22' 95.8(11) . . . . ?
C45 Ce1 C21 C22' 40.2(11) . . . . ?
C44 Ce1 C21 C22' 18.4(11) . . . . ?
C48 Ce1 C21 C22' -85.6(11) . . . . ?
C47 Ce1 C21 C22' -99.0(13) . . . . ?
N3 Ce1 C21 C22' -117.6(11) . . . . ?
C46 Ce1 C21 C22' 55.9(11) . . . . ?
C41 Ce1 C21 C22' -65.1(11) . . . . ?
C43 Ce1 C21 C22' -9.6(11) . . . . ?
C42 Ce1 C21 C22' -39.4(11) . . . . ?
N1 Ce1 C21 C22' -172.5(11) . . . . ?
N2 Ce1 C21 C22' 139.2(11) . . . . ?
N4 Ce1 C21 Ce2 -70.6(2) . . . . ?
C45 Ce1 C21 Ce2 -126.21(15) . . . . ?
C44 Ce1 C21 Ce2 -148.03(12) . . . . ?
C48 Ce1 C21 Ce2 108.01(17) . . . . ?
C47 Ce1 C21 Ce2 94.6(8) . . . . ?
N3 Ce1 C21 Ce2 76.0(2) . . . . ?
C46 Ce1 C21 Ce2 -110.6(3) . . . . ?
C41 Ce1 C21 Ce2 128.46(13) . . . . ?
C43 Ce1 C21 Ce2 -176.04(13) . . . . ?
C42 Ce1 C21 Ce2 154.17(13) . . . . ?
N1 Ce1 C21 Ce2 21.10(10) . . . . ?
N2 Ce1 C21 Ce2 -27.23(9) . . . . ?
N3 C21 C22 C23 162(6) . . . . ?
N4 C21 C22 C23 -7(6) . . . . ?
C22' C21 C22 C23 -82(6) . . . . ?
Ce2 C21 C22 C23 74(6) . . . . ?
Ce1 C21 C22 C23 -100(6) . . . . ?
C21 C22 C23 C24 -114(22) . . . . ?
C22 C23 C24 C26 141(22) . . . . ?
C22 C23 C24 C25 -149(22) . . . . ?
C23 C24 C25 C26 -112.3(9) . . . . ?
C23 C24 C26 C25 107.2(9) . . . . ?
N3 C21 C22' C23' 150(10) . . . . ?
N4 C21 C22' C23' -41(10) . . . . ?
C22 C21 C22' C23' 73(10) . . . . ?
Ce2 C21 C22' C23' 42(11) . . . . ?
Ce1 C21 C22' C23' -116(10) . . . . ?
C21 C22' C23' C24' -33(15) . . . . ?
C22' C23' C24' C25' 107(6) . . . . ?
C22' C23' C24' C26' 39(7) . . . . ?
C23' C24' C25' C26' -111(2) . . . . ?
C23' C24' C26' C25' 109(2) . . . . ?
C21 N3 C27 C32 -163.0(5) . . . . ?
C27' N3 C27 C32 125(2) . . . . ?
Ce1 N3 C27 C32 63.3(9) . . . . ?
Ce2 N3 C27 C32 -60.8(7) . . . . ?
C21 N3 C27 C28 77.1(8) . . . . ?
C27' N3 C27 C28 5.0(18) . . . . ?
Ce1 N3 C27 C28 -56.6(10) . . . . ?
Ce2 N3 C27 C28 179.3(5) . . . . ?
N3 C27 C28 C29 178.1(7) . . . . ?
C32 C27 C28 C29 56.2(10) . . . . ?
C27 C28 C29 C30 -57.0(10) . . . . ?
C28 C29 C30 C31 54.9(10) . . . . ?
C29 C30 C31 C32 -53.6(10) . . . . ?
N3 C27 C32 C31 -174.9(6) . . . . ?
C28 C27 C32 C31 -56.7(8) . . . . ?
C30 C31 C32 C27 55.6(9) . . . . ?
C21 N3 C27' C28' 132.2(11) . . . . ?
C27 N3 C27' C28' -110(3) . . . . ?
Ce1 N3 C27' C28' 24.4(16) . . . . ?
Ce2 N3 C27' C28' -119.0(12) . . . . ?
C21 N3 C27' C32' -108.0(9) . . . . ?
C27 N3 C27' C32' 9.3(16) . . . . ?
Ce1 N3 C27' C32' 144.2(7) . . . . ?
Ce2 N3 C27' C32' 0.8(16) . . . . ?
C32' C27' C28' C29' 56.0(16) . . . . ?
N3 C27' C28' C29' 169.4(11) . . . . ?
C27' C28' C29' C30' -57.7(17) . . . . ?
C28' C29' C30' C31' 59.3(17) . . . . ?
C29' C30' C31' C32' -59.6(16) . . . . ?
C30' C31' C32' C27' 57.2(15) . . . . ?
C28' C27' C32' C31' -55.5(15) . . . . ?
N3 C27' C32' C31' -178.4(10) . . . . ?
C21 N4 C33 C38 160.6(3) . . . . ?
Ce1 N4 C33 C38 -72.2(4) . . . . ?
Ce2 N4 C33 C38 53.0(4) . . . . ?
C21 N4 C33 C34 -76.8(4) . . . . ?
Ce1 N4 C33 C34 50.4(5) . . . . ?
Ce2 N4 C33 C34 175.6(3) . . . . ?
N4 C33 C34 C35 178.8(4) . . . . ?
C38 C33 C34 C35 -58.0(5) . . . . ?
C33 C34 C35 C36 55.7(5) . . . . ?
C34 C35 C36 C37 -53.3(5) . . . . ?
C35 C36 C37 C38 53.9(5) . . . . ?
N4 C33 C38 C37 -176.3(3) . . . . ?
C34 C33 C38 C37 59.4(4) . . . . ?
C36 C37 C38 C33 -57.6(4) . . . . ?
N4 Ce1 C41 C42 46.5(4) . . . . ?
C45 Ce1 C41 C42 -72.1(3) . . . . ?
C44 Ce1 C41 C42 -42.5(3) . . . . ?
C48 Ce1 C41 C42 -146.4(5) . . . . ?
C47 Ce1 C41 C42 -126.7(4) . . . . ?
N3 Ce1 C41 C42 80.1(3) . . . . ?
C46 Ce1 C41 C42 -101.6(3) . . . . ?
C43 Ce1 C41 C42 -18.5(3) . . . . ?
N1 Ce1 C41 C42 160.9(3) . . . . ?
N2 Ce1 C41 C42 -165.4(3) . . . . ?
N4 Ce1 C41 C48 -167.1(2) . . . . ?
C45 Ce1 C41 C48 74.3(3) . . . . ?
C44 Ce1 C41 C48 103.9(3) . . . . ?
C47 Ce1 C41 C48 19.6(3) . . . . ?
N3 Ce1 C41 C48 -133.6(3) . . . . ?
C46 Ce1 C41 C48 44.7(3) . . . . ?
C43 Ce1 C41 C48 127.9(3) . . . . ?
C42 Ce1 C41 C48 146.4(5) . . . . ?
N1 Ce1 C41 C48 -52.8(3) . . . . ?
N2 Ce1 C41 C48 -19.0(4) . . . . ?
C48 C41 C42 C43 -1.8(10) . . . . ?
Ce1 C41 C42 C43 47.7(6) . . . . ?
C48 C41 C42 Ce1 -49.5(5) . . . . ?
N4 Ce1 C42 C41 -148.5(3) . . . . ?
C45 Ce1 C42 C41 103.3(3) . . . . ?
C44 Ce1 C42 C41 128.1(4) . . . . ?
C48 Ce1 C42 C41 19.4(3) . . . . ?
C47 Ce1 C42 C41 43.6(3) . . . . ?
N3 Ce1 C42 C41 -102.6(3) . . . . ?
C46 Ce1 C42 C41 73.5(3) . . . . ?
C43 Ce1 C42 C41 147.7(5) . . . . ?
N1 Ce1 C42 C41 -25.2(4) . . . . ?
N2 Ce1 C42 C41 60.2(9) . . . . ?
N4 Ce1 C42 C43 63.9(3) . . . . ?
C45 Ce1 C42 C43 -44.4(3) . . . . ?
C44 Ce1 C42 C43 -19.6(3) . . . . ?
C48 Ce1 C42 C43 -128.3(4) . . . . ?
C47 Ce1 C42 C43 -104.1(3) . . . . ?
N3 Ce1 C42 C43 109.7(3) . . . . ?
C46 Ce1 C42 C43 -74.2(3) . . . . ?
C41 Ce1 C42 C43 -147.7(5) . . . . ?
N1 Ce1 C42 C43 -172.9(3) . . . . ?
N2 Ce1 C42 C43 -87.5(8) . . . . ?
C41 C42 C43 C44 1.6(10) . . . . ?
Ce1 C42 C43 C44 49.2(5) . . . . ?
C41 C42 C43 Ce1 -47.6(6) . . . . ?
N4 Ce1 C43 C44 89.4(3) . . . . ?
C45 Ce1 C43 C44 -20.1(3) . . . . ?
C48 Ce1 C43 C44 -103.3(3) . . . . ?
C47 Ce1 C43 C44 -74.2(3) . . . . ?
N3 Ce1 C43 C44 140.4(3) . . . . ?
C46 Ce1 C43 C44 -44.7(3) . . . . ?
C41 Ce1 C43 C44 -127.3(3) . . . . ?
C42 Ce1 C43 C44 -145.8(5) . . . . ?
N1 Ce1 C43 C44 -129.3(4) . . . . ?
N2 Ce1 C43 C44 15.4(4) . . . . ?
N4 Ce1 C43 C42 -124.8(3) . . . . ?
C45 Ce1 C43 C42 125.7(4) . . . . ?
C44 Ce1 C43 C42 145.8(5) . . . . ?
C48 Ce1 C43 C42 42.5(3) . . . . ?
C47 Ce1 C43 C42 71.6(3) . . . . ?
N3 Ce1 C43 C42 -73.8(3) . . . . ?
C46 Ce1 C43 C42 101.1(3) . . . . ?
C41 Ce1 C43 C42 18.5(3) . . . . ?
N1 Ce1 C43 C42 16.5(6) . . . . ?
N2 Ce1 C43 C42 161.2(3) . . . . ?
C42 C43 C44 C45 1.4(9) . . . . ?
Ce1 C43 C44 C45 51.0(5) . . . . ?
C42 C43 C44 Ce1 -49.5(5) . . . . ?
N4 Ce1 C44 C43 -95.8(3) . . . . ?
C45 Ce1 C44 C43 145.1(4) . . . . ?
C48 Ce1 C44 C43 72.5(3) . . . . ?
C47 Ce1 C44 C43 101.7(3) . . . . ?
N3 Ce1 C44 C43 -48.4(3) . . . . ?
C46 Ce1 C44 C43 125.6(3) . . . . ?
C41 Ce1 C44 C43 43.2(3) . . . . ?
C42 Ce1 C44 C43 19.5(3) . . . . ?
N1 Ce1 C44 C43 139.3(3) . . . . ?
N2 Ce1 C44 C43 -170.8(3) . . . . ?
N4 Ce1 C44 C45 119.1(3) . . . . ?
C48 Ce1 C44 C45 -72.5(3) . . . . ?
C47 Ce1 C44 C45 -43.4(3) . . . . ?
N3 Ce1 C44 C45 166.6(2) . . . . ?
C46 Ce1 C44 C45 -19.5(2) . . . . ?
C41 Ce1 C44 C45 -101.8(3) . . . . ?
C43 Ce1 C44 C45 -145.1(4) . . . . ?
C42 Ce1 C44 C45 -125.5(3) . . . . ?
N1 Ce1 C44 C45 -5.8(5) . . . . ?
N2 Ce1 C44 C45 44.1(3) . . . . ?
C43 C44 C45 C46 -1.3(9) . . . . ?
Ce1 C44 C45 C46 50.1(5) . . . . ?
C43 C44 C45 Ce1 -51.3(5) . . . . ?
N4 Ce1 C45 C44 -68.6(3) . . . . ?
C48 Ce1 C45 C44 103.3(3) . . . . ?
C47 Ce1 C45 C44 127.5(3) . . . . ?
N3 Ce1 C45 C44 -24.5(4) . . . . ?
C46 Ce1 C45 C44 146.1(4) . . . . ?
C41 Ce1 C45 C44 73.6(3) . . . . ?
C43 Ce1 C45 C44 19.9(3) . . . . ?
C42 Ce1 C45 C44 44.4(3) . . . . ?
N1 Ce1 C45 C44 177.2(2) . . . . ?
N2 Ce1 C45 C44 -142.2(3) . . . . ?
N4 Ce1 C45 C46 145.4(3) . . . . ?
C44 Ce1 C45 C46 -146.1(4) . . . . ?
C48 Ce1 C45 C46 -42.8(3) . . . . ?
C47 Ce1 C45 C46 -18.6(3) . . . . ?
N3 Ce1 C45 C46 -170.6(3) . . . . ?
C41 Ce1 C45 C46 -72.5(3) . . . . ?
C43 Ce1 C45 C46 -126.2(3) . . . . ?
C42 Ce1 C45 C46 -101.6(3) . . . . ?
N1 Ce1 C45 C46 31.1(3) . . . . ?
N2 Ce1 C45 C46 71.7(3) . . . . ?
C44 C45 C46 C47 -2.6(9) . . . . ?
Ce1 C45 C46 C47 47.4(5) . . . . ?
C44 C45 C46 Ce1 -50.0(5) . . . . ?
N4 Ce1 C46 C45 -48.3(3) . . . . ?
C44 Ce1 C46 C45 19.4(3) . . . . ?
C48 Ce1 C46 C45 127.8(3) . . . . ?
C47 Ce1 C46 C45 147.7(4) . . . . ?
N3 Ce1 C46 C45 121.8(15) . . . . ?
C41 Ce1 C46 C45 102.8(3) . . . . ?
C43 Ce1 C46 C45 44.0(3) . . . . ?
C42 Ce1 C46 C45 73.4(3) . . . . ?
N1 Ce1 C46 C45 -155.2(3) . . . . ?
N2 Ce1 C46 C45 -108.8(3) . . . . ?
N4 Ce1 C46 C47 164.1(2) . . . . ?
C45 Ce1 C46 C47 -147.7(4) . . . . ?
C44 Ce1 C46 C47 -128.2(3) . . . . ?
C48 Ce1 C46 C47 -19.9(3) . . . . ?
N3 Ce1 C46 C47 -25.8(17) . . . . ?
C41 Ce1 C46 C47 -44.9(3) . . . . ?
C43 Ce1 C46 C47 -103.7(3) . . . . ?
C42 Ce1 C46 C47 -74.2(3) . . . . ?
N1 Ce1 C46 C47 57.1(3) . . . . ?
N2 Ce1 C46 C47 103.5(3) . . . . ?
C45 C46 C47 C48 3.4(9) . . . . ?
Ce1 C46 C47 C48 50.8(5) . . . . ?
C45 C46 C47 Ce1 -47.4(5) . . . . ?
N4 Ce1 C47 C48 174.8(3) . . . . ?
C45 Ce1 C47 C48 -126.4(3) . . . . ?
C44 Ce1 C47 C48 -102.4(3) . . . . ?
N3 Ce1 C47 C48 31.2(4) . . . . ?
C46 Ce1 C47 C48 -144.9(4) . . . . ?
C41 Ce1 C47 C48 -19.9(3) . . . . ?
C43 Ce1 C47 C48 -73.0(3) . . . . ?
C42 Ce1 C47 C48 -44.0(3) . . . . ?
N1 Ce1 C47 C48 91.4(3) . . . . ?
N2 Ce1 C47 C48 138.7(3) . . . . ?
N4 Ce1 C47 C46 -40.3(6) . . . . ?
C45 Ce1 C47 C46 18.5(3) . . . . ?
C44 Ce1 C47 C46 42.6(3) . . . . ?
C48 Ce1 C47 C46 144.9(4) . . . . ?
N3 Ce1 C47 C46 176.1(3) . . . . ?
C41 Ce1 C47 C46 125.1(3) . . . . ?
C43 Ce1 C47 C46 71.9(3) . . . . ?
C42 Ce1 C47 C46 100.9(3) . . . . ?
N1 Ce1 C47 C46 -123.7(3) . . . . ?
N2 Ce1 C47 C46 -76.4(3) . . . . ?
C46 C47 C48 C41 -0.3(9) . . . . ?
Ce1 C47 C48 C41 50.5(5) . . . . ?
C46 C47 C48 Ce1 -50.8(5) . . . . ?
C42 C41 C48 C47 -0.6(9) . . . . ?
Ce1 C41 C48 C47 -50.4(5) . . . . ?
C42 C41 C48 Ce1 49.8(5) . . . . ?
N4 Ce1 C48 C47 -172.8(4) . . . . ?
C45 Ce1 C48 C47 44.3(3) . . . . ?
C44 Ce1 C48 C47 73.6(3) . . . . ?
N3 Ce1 C48 C47 -160.4(3) . . . . ?
C46 Ce1 C48 C47 20.2(3) . . . . ?
C41 Ce1 C48 C47 145.5(4) . . . . ?
C43 Ce1 C48 C47 102.8(3) . . . . ?
C42 Ce1 C48 C47 126.3(3) . . . . ?
N1 Ce1 C48 C47 -85.5(3) . . . . ?
N2 Ce1 C48 C47 -46.7(3) . . . . ?
N4 Ce1 C48 C41 41.7(7) . . . . ?
C45 Ce1 C48 C41 -101.2(3) . . . . ?
C44 Ce1 C48 C41 -71.8(3) . . . . ?
C47 Ce1 C48 C41 -145.5(4) . . . . ?
N3 Ce1 C48 C41 54.2(3) . . . . ?
C46 Ce1 C48 C41 -125.2(3) . . . . ?
C43 Ce1 C48 C41 -42.7(3) . . . . ?
C42 Ce1 C48 C41 -19.2(3) . . . . ?
N1 Ce1 C48 C41 129.1(3) . . . . ?
N2 Ce1 C48 C41 167.9(3) . . . . ?
N1 Ce2 C51 C58 88.4(3) . . . . ?
N2 Ce2 C51 C58 45.6(4) . . . . ?
C53 Ce2 C51 C58 -122.9(4) . . . . ?
C54 Ce2 C51 C58 -98.6(4) . . . . ?
C52 Ce2 C51 C58 -143.7(5) . . . . ?
C56 Ce2 C51 C58 -42.7(3) . . . . ?
C57 Ce2 C51 C58 -19.1(3) . . . . ?
N4 Ce2 C51 C58 -150.0(3) . . . . ?
C55 Ce2 C51 C58 -70.5(4) . . . . ?
N3 Ce2 C51 C58 170.1(3) . . . . ?
N1 Ce2 C51 C52 -127.9(3) . . . . ?
N2 Ce2 C51 C52 -170.7(3) . . . . ?
C53 Ce2 C51 C52 20.8(3) . . . . ?
C54 Ce2 C51 C52 45.0(4) . . . . ?
C56 Ce2 C51 C52 101.0(4) . . . . ?
C57 Ce2 C51 C52 124.6(4) . . . . ?
N4 Ce2 C51 C52 -6.3(5) . . . . ?
C55 Ce2 C51 C52 73.2(4) . . . . ?
C58 Ce2 C51 C52 143.7(5) . . . . ?
N3 Ce2 C51 C52 -46.2(4) . . . . ?
C58 C51 C52 C53 1.1(9) . . . . ?
Ce2 C51 C52 C53 -50.1(5) . . . . ?
C58 C51 C52 Ce2 51.2(5) . . . . ?
N1 Ce2 C52 C53 -154.5(3) . . . . ?
N2 Ce2 C52 C53 170.6(4) . . . . ?
C54 Ce2 C52 C53 18.8(3) . . . . ?
C56 Ce2 C52 C53 69.6(3) . . . . ?
C57 Ce2 C52 C53 98.5(3) . . . . ?
C51 Ce2 C52 C53 143.9(5) . . . . ?
N4 Ce2 C52 C53 -39.6(3) . . . . ?
C55 Ce2 C52 C53 41.9(3) . . . . ?
C58 Ce2 C52 C53 123.1(4) . . . . ?
N3 Ce2 C52 C53 -78.2(3) . . . . ?
N1 Ce2 C52 C51 61.6(3) . . . . ?
N2 Ce2 C52 C51 26.7(7) . . . . ?
C53 Ce2 C52 C51 -143.9(5) . . . . ?
C54 Ce2 C52 C51 -125.1(4) . . . . ?
C56 Ce2 C52 C51 -74.3(4) . . . . ?
C57 Ce2 C52 C51 -45.4(3) . . . . ?
N4 Ce2 C52 C51 176.5(3) . . . . ?
C55 Ce2 C52 C51 -102.0(3) . . . . ?
C58 Ce2 C52 C51 -20.8(3) . . . . ?
N3 Ce2 C52 C51 137.8(3) . . . . ?
C51 C52 C53 C54 0.6(10) . . . . ?
Ce2 C52 C53 C54 -49.5(6) . . . . ?
C51 C52 C53 Ce2 50.1(5) . . . . ?
N1 Ce2 C53 C54 -172.7(3) . . . . ?
N2 Ce2 C53 C54 -25.3(6) . . . . ?
C52 Ce2 C53 C54 146.3(5) . . . . ?
C56 Ce2 C53 C54 41.1(3) . . . . ?
C57 Ce2 C53 C54 69.5(4) . . . . ?
C51 Ce2 C53 C54 125.3(4) . . . . ?
N4 Ce2 C53 C54 -67.4(3) . . . . ?
C55 Ce2 C53 C54 18.6(3) . . . . ?
C58 Ce2 C53 C54 99.1(4) . . . . ?
N3 Ce2 C53 C54 -114.4(3) . . . . ?
N1 Ce2 C53 C52 41.0(4) . . . . ?
N2 Ce2 C53 C52 -171.6(4) . . . . ?
C54 Ce2 C53 C52 -146.3(5) . . . . ?
C56 Ce2 C53 C52 -105.2(3) . . . . ?
C57 Ce2 C53 C52 -76.8(3) . . . . ?
C51 Ce2 C53 C52 -21.0(3) . . . . ?
N4 Ce2 C53 C52 146.3(3) . . . . ?
C55 Ce2 C53 C52 -127.8(4) . . . . ?
C58 Ce2 C53 C52 -47.2(3) . . . . ?
N3 Ce2 C53 C52 99.3(3) . . . . ?
C52 C53 C54 C55 -1.4(10) . . . . ?
Ce2 C53 C54 C55 -50.6(6) . . . . ?
C52 C53 C54 Ce2 49.3(6) . . . . ?
N1 Ce2 C54 C55 -175.8(10) . . . . ?
N2 Ce2 C54 C55 -43.3(4) . . . . ?
C53 Ce2 C54 C55 146.7(5) . . . . ?
C52 Ce2 C54 C55 126.8(4) . . . . ?
C56 Ce2 C54 C55 18.0(3) . . . . ?
C57 Ce2 C54 C55 41.4(4) . . . . ?
C51 Ce2 C54 C55 100.8(4) . . . . ?
N4 Ce2 C54 C55 -101.3(4) . . . . ?
C58 Ce2 C54 C55 70.0(4) . . . . ?
N3 Ce2 C54 C55 -148.1(4) . . . . ?
N1 Ce2 C54 C53 37.4(13) . . . . ?
N2 Ce2 C54 C53 170.0(3) . . . . ?
C52 Ce2 C54 C53 -19.9(3) . . . . ?
C56 Ce2 C54 C53 -128.7(4) . . . . ?
C57 Ce2 C54 C53 -105.3(4) . . . . ?
C51 Ce2 C54 C53 -45.9(4) . . . . ?
N4 Ce2 C54 C53 112.0(3) . . . . ?
C55 Ce2 C54 C53 -146.7(5) . . . . ?
C58 Ce2 C54 C53 -76.7(4) . . . . ?
N3 Ce2 C54 C53 65.1(3) . . . . ?
C53 C54 C55 C56 2.2(11) . . . . ?
Ce2 C54 C55 C56 -48.1(6) . . . . ?
C53 C54 C55 Ce2 50.2(6) . . . . ?
N1 Ce2 C55 C56 -33.2(6) . . . . ?
N2 Ce2 C55 C56 -63.5(4) . . . . ?
C53 Ce2 C55 C56 129.0(4) . . . . ?
C54 Ce2 C55 C56 148.1(6) . . . . ?
C52 Ce2 C55 C56 104.0(4) . . . . ?
C57 Ce2 C55 C56 19.2(3) . . . . ?
C51 Ce2 C55 C56 72.9(4) . . . . ?
N4 Ce2 C55 C56 -135.2(4) . . . . ?
C58 Ce2 C55 C56 42.9(4) . . . . ?
N3 Ce2 C55 C56 -174.9(3) . . . . ?
N1 Ce2 C55 C54 178.6(3) . . . . ?
N2 Ce2 C55 C54 148.4(3) . . . . ?
C53 Ce2 C55 C54 -19.2(3) . . . . ?
C52 Ce2 C55 C54 -44.1(4) . . . . ?
C56 Ce2 C55 C54 -148.1(6) . . . . ?
C57 Ce2 C55 C54 -128.9(4) . . . . ?
C51 Ce2 C55 C54 -75.2(4) . . . . ?
N4 Ce2 C55 C54 76.7(4) . . . . ?
C58 Ce2 C55 C54 -105.3(4) . . . . ?
N3 Ce2 C55 C54 36.9(4) . . . . ?
C54 C55 C56 C57 -2.7(11) . . . . ?
Ce2 C55 C56 C57 -50.7(6) . . . . ?
C54 C55 C56 Ce2 48.0(6) . . . . ?
N1 Ce2 C56 C55 164.2(3) . . . . ?
N2 Ce2 C56 C55 123.1(4) . . . . ?
C53 Ce2 C56 C55 -41.4(4) . . . . ?
C54 Ce2 C56 C55 -18.0(3) . . . . ?
C52 Ce2 C56 C55 -71.7(4) . . . . ?
C57 Ce2 C56 C55 -146.5(6) . . . . ?
C51 Ce2 C56 C55 -102.9(4) . . . . ?
N4 Ce2 C56 C55 48.2(4) . . . . ?
C58 Ce2 C56 C55 -127.7(4) . . . . ?
N3 Ce2 C56 C55 8.2(5) . . . . ?
N1 Ce2 C56 C57 -49.2(4) . . . . ?
N2 Ce2 C56 C57 -90.4(3) . . . . ?
C53 Ce2 C56 C57 105.1(4) . . . . ?
C54 Ce2 C56 C57 128.5(4) . . . . ?
C52 Ce2 C56 C57 74.9(4) . . . . ?
C51 Ce2 C56 C57 43.7(4) . . . . ?
N4 Ce2 C56 C57 -165.3(3) . . . . ?
C55 Ce2 C56 C57 146.5(6) . . . . ?
C58 Ce2 C56 C57 18.9(3) . . . . ?
N3 Ce2 C56 C57 154.7(3) . . . . ?
C55 C56 C57 C58 1.1(11) . . . . ?
Ce2 C56 C57 C58 -49.9(6) . . . . ?
C55 C56 C57 Ce2 51.0(6) . . . . ?
N1 Ce2 C57 C56 143.2(3) . . . . ?
N2 Ce2 C57 C56 93.3(3) . . . . ?
C53 Ce2 C57 C56 -69.8(4) . . . . ?
C54 Ce2 C57 C56 -41.3(3) . . . . ?
C52 Ce2 C57 C56 -101.0(4) . . . . ?
C51 Ce2 C57 C56 -127.2(4) . . . . ?
N4 Ce2 C57 C56 20.6(4) . . . . ?
C55 Ce2 C57 C56 -18.7(3) . . . . ?
C58 Ce2 C57 C56 -147.1(5) . . . . ?
N3 Ce2 C57 C56 -86.9(8) . . . . ?
N1 Ce2 C57 C58 -69.7(3) . . . . ?
N2 Ce2 C57 C58 -119.6(3) . . . . ?
C53 Ce2 C57 C58 77.2(4) . . . . ?
C54 Ce2 C57 C58 105.8(4) . . . . ?
C52 Ce2 C57 C58 46.1(4) . . . . ?
C56 Ce2 C57 C58 147.1(5) . . . . ?
C51 Ce2 C57 C58 19.9(3) . . . . ?
N4 Ce2 C57 C58 167.7(3) . . . . ?
C55 Ce2 C57 C58 128.4(4) . . . . ?
N3 Ce2 C57 C58 60.2(9) . . . . ?
C56 C57 C58 C51 1.7(10) . . . . ?
Ce2 C57 C58 C51 -48.0(5) . . . . ?
C56 C57 C58 Ce2 49.7(6) . . . . ?
C52 C51 C58 C57 -2.6(9) . . . . ?
Ce2 C51 C58 C57 48.2(5) . . . . ?
C52 C51 C58 Ce2 -50.8(5) . . . . ?
N1 Ce2 C58 C57 117.3(3) . . . . ?
N2 Ce2 C58 C57 66.9(3) . . . . ?
C53 Ce2 C58 C57 -98.4(4) . . . . ?
C54 Ce2 C58 C57 -69.1(4) . . . . ?
C52 Ce2 C58 C57 -124.8(4) . . . . ?
C56 Ce2 C58 C57 -18.7(3) . . . . ?
C51 Ce2 C58 C57 -146.0(5) . . . . ?
N4 Ce2 C58 C57 -34.0(8) . . . . ?
C55 Ce2 C58 C57 -41.6(3) . . . . ?
N3 Ce2 C58 C57 -161.0(3) . . . . ?
N1 Ce2 C58 C51 -96.7(3) . . . . ?
N2 Ce2 C58 C51 -147.1(3) . . . . ?
C53 Ce2 C58 C51 47.6(4) . . . . ?
C54 Ce2 C58 C51 76.9(4) . . . . ?
C52 Ce2 C58 C51 21.2(3) . . . . ?
C56 Ce2 C58 C51 127.4(4) . . . . ?
C57 Ce2 C58 C51 146.0(5) . . . . ?
N4 Ce2 C58 C51 112.0(7) . . . . ?
C55 Ce2 C58 C51 104.5(4) . . . . ?
N3 Ce2 C58 C51 -15.0(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        75.86
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.097
_refine_diff_density_min         -1.122
_refine_diff_density_rms         0.086
####################################################################### 
# 
# 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_magd125
_database_code_depnum_ccdc_archive 'CCDC 1057410'
_audit_update_record             
;
2015-04-01 deposited with the CCDC.
2016-06-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H54 N4 Nd2'
_chemical_formula_weight         879.35

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -3.1807 10.9079 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'

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'

_cell_length_a                   19.11720(10)
_cell_length_b                   19.80540(10)
_cell_length_c                   9.95780(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.5500(10)
_cell_angle_gamma                90.00
_cell_volume                     3718.01(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    154485
_cell_measurement_theta_min      3.2230
_cell_measurement_theta_max      75.6270

_exptl_crystal_description       prism
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1768
_exptl_absorpt_coefficient_mu    21.293
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1843
_exptl_absorpt_correction_T_max  0.3615
_exptl_absorpt_process_details   
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Atlas, Nova'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3543
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            283708
_diffrn_reflns_av_R_equivalents  0.0652
_diffrn_reflns_av_sigmaI/netI    0.0142
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.24
_diffrn_reflns_theta_max         75.80
_reflns_number_total             7724
_reflns_number_gt                7646
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
;
_computing_cell_refinement       
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
;
_computing_data_reduction        
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker XP'
_computing_publication_material  SHELXL-97

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_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)+(0.0387P)²+22.9476P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7724
_refine_ls_number_parameters     443
_refine_ls_number_restraints     48
_refine_ls_R_factor_all          0.0398
_refine_ls_R_factor_gt           0.0395
_refine_ls_wR_factor_ref         0.0962
_refine_ls_wR_factor_gt          0.0960
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_restrained_S_all      1.149
_refine_ls_shift/su_max          0.012
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Nd1 Nd 0.423167(11) 0.558667(11) 1.01984(2) 0.01148(7) Uani 1 1 d . . .
Nd2 Nd 0.048321(12) 0.432594(15) 0.59388(3) 0.02144(8) Uani 1 1 d . . .
N1 N 0.44032(19) 0.43361(18) 0.9493(4) 0.0146(7) Uani 1 1 d . . .
N2 N 0.5015(2) 0.41003(19) 1.1621(4) 0.0176(8) Uani 1 1 d . . .
N4 N 0.09458(18) 0.53870(19) 0.4718(4) 0.0146(7) Uani 1 1 d . . .
C1 C 0.4439(2) 0.4000(2) 1.0694(5) 0.0143(8) Uani 1 1 d . . .
C2 C 0.3864(2) 0.3564(2) 1.0941(5) 0.0185(9) Uani 1 1 d . . .
C3 C 0.3347(2) 0.3264(2) 1.1151(5) 0.0194(9) Uani 1 1 d . . .
C4 C 0.2723(3) 0.2916(2) 1.1417(5) 0.0228(10) Uani 1 1 d . . .
H4 H 0.2542 0.2549 1.0761 0.027 Uiso 1 1 calc R . .
C5 C 0.2168(3) 0.3309(3) 1.1993(8) 0.0481(18) Uani 1 1 d . . .
H5A H 0.2260 0.3794 1.2190 0.058 Uiso 1 1 calc R . .
H5B H 0.1665 0.3193 1.1671 0.058 Uiso 1 1 calc R . .
C6 C 0.2610(3) 0.2812(3) 1.2863(6) 0.0360(14) Uani 1 1 d . . .
H6A H 0.2381 0.2387 1.3081 0.043 Uiso 1 1 calc R . .
H6B H 0.2976 0.2988 1.3600 0.043 Uiso 1 1 calc R . .
C7 C 0.3873(2) 0.4078(2) 0.8331(5) 0.0180(9) Uani 1 1 d . . .
H7 H 0.3400 0.4044 0.8633 0.022 Uiso 1 1 calc R . .
C8 C 0.4075(3) 0.3383(2) 0.7853(5) 0.0243(10) Uani 1 1 d . . .
H8A H 0.4110 0.3062 0.8610 0.036 Uiso 1 1 calc R . .
H8B H 0.4533 0.3412 0.7539 0.036 Uiso 1 1 calc R . .
H8C H 0.3712 0.3229 0.7104 0.036 Uiso 1 1 calc R . .
C9 C 0.3816(3) 0.4578(3) 0.7163(5) 0.0222(10) Uani 1 1 d . . .
H9A H 0.3686 0.5023 0.7476 0.033 Uiso 1 1 calc R . .
H9B H 0.3452 0.4425 0.6414 0.033 Uiso 1 1 calc R . .
H9C H 0.4274 0.4609 0.6847 0.033 Uiso 1 1 calc R . .
C10 C 0.5071(3) 0.3731(2) 1.2939(5) 0.0217(10) Uani 1 1 d . . .
H10 H 0.4846 0.3277 1.2757 0.026 Uiso 1 1 calc R . .
C11 C 0.4684(3) 0.4107(3) 1.3934(5) 0.0314(12) Uani 1 1 d . . .
H11A H 0.4184 0.4167 1.3526 0.047 Uiso 1 1 calc R . .
H11B H 0.4904 0.4550 1.4137 0.047 Uiso 1 1 calc R . .
H11C H 0.4714 0.3846 1.4777 0.047 Uiso 1 1 calc R . .
C12 C 0.5847(3) 0.3631(3) 1.3551(5) 0.0253(10) Uani 1 1 d . . .
H12A H 0.6088 0.3389 1.2901 0.038 Uiso 1 1 calc R . .
H12B H 0.5881 0.3368 1.4393 0.038 Uiso 1 1 calc R . .
H12C H 0.6073 0.4072 1.3755 0.038 Uiso 1 1 calc R . .
C13 C 0.2932(2) 0.5182(3) 1.0483(5) 0.0220(10) Uani 1 1 d . . .
H13 H 0.2686 0.4767 1.0291 0.026 Uiso 1 1 calc R . .
C14 C 0.3313(2) 0.5206(3) 1.1815(5) 0.0216(10) Uani 1 1 d . . .
H14 H 0.3255 0.4808 1.2318 0.026 Uiso 1 1 calc R . .
C15 C 0.3759(2) 0.5678(2) 1.2574(5) 0.0199(9) Uani 1 1 d . . .
H15 H 0.3937 0.5523 1.3468 0.024 Uiso 1 1 calc R . .
C16 C 0.4009(3) 0.6334(3) 1.2326(5) 0.0231(10) Uani 1 1 d . . .
H16 H 0.4309 0.6515 1.3097 0.028 Uiso 1 1 calc R . .
C17 C 0.3917(3) 0.6778(3) 1.1211(6) 0.0280(11) Uani 1 1 d . . .
H17 H 0.4171 0.7189 1.1401 0.034 Uiso 1 1 calc R . .
C18 C 0.3533(3) 0.6751(3) 0.9871(6) 0.0298(11) Uani 1 1 d . . .
H18 H 0.3593 0.7146 0.9361 0.036 Uiso 1 1 calc R . .
C19 C 0.3079(3) 0.6272(3) 0.9115(5) 0.0272(11) Uani 1 1 d . . .
H19 H 0.2903 0.6423 0.8217 0.033 Uiso 1 1 calc R . .
C20 C 0.2827(3) 0.5624(3) 0.9372(5) 0.0253(11) Uani 1 1 d . . .
H20 H 0.2512 0.5446 0.8615 0.030 Uiso 1 1 calc R . .
C21 C 0.0903(2) 0.5788(3) 0.5789(5) 0.0194(9) Uani 1 1 d . . .
C22 C 0.1364(3) 0.6357(3) 0.6116(5) 0.0276(11) Uani 1 1 d . . .
C23 C 0.1742(3) 0.6844(3) 0.6297(5) 0.0231(10) Uani 1 1 d . . .
C24 C 0.2203(3) 0.7419(2) 0.6506(5) 0.0218(10) Uani 1 1 d . . .
H24 H 0.2644 0.7392 0.6090 0.026 Uiso 1 1 calc R . .
C25 C 0.1876(3) 0.8110(3) 0.6541(7) 0.0354(13) Uani 1 1 d . . .
H25A H 0.2104 0.8488 0.6126 0.042 Uiso 1 1 calc R . .
H25B H 0.1353 0.8139 0.6435 0.042 Uiso 1 1 calc R . .
C26 C 0.2262(3) 0.7819(2) 0.7822(5) 0.0290(11) Uani 1 1 d . . .
H26A H 0.1978 0.7664 0.8510 0.035 Uiso 1 1 calc R . .
H26B H 0.2730 0.8014 0.8201 0.035 Uiso 1 1 calc R . .
N3 N 0.0369(2) 0.5622(3) 0.6454(5) 0.0378(13) Uani 1 1 d . . .
C29 C -0.0384(5) 0.6156(5) 0.8021(10) 0.022(3) Uani 0.555(16) 1 d P A 1
H29A H -0.0752 0.6247 0.7233 0.034 Uiso 0.555(16) 1 calc PR A 1
H29B H -0.0415 0.6491 0.8734 0.034 Uiso 0.555(16) 1 calc PR A 1
H29C H -0.0451 0.5703 0.8373 0.034 Uiso 0.555(16) 1 calc PR A 1
C28 C 0.0916(6) 0.6070(9) 0.8823(12) 0.031(3) Uani 0.555(16) 1 d P A 1
H28A H 0.1381 0.6097 0.8535 0.046 Uiso 0.555(16) 1 calc PR A 1
H28B H 0.0853 0.5619 0.9191 0.046 Uiso 0.555(16) 1 calc PR A 1
H28C H 0.0886 0.6410 0.9526 0.046 Uiso 0.555(16) 1 calc PR A 1
C27 C 0.0334(4) 0.6200(5) 0.7598(9) 0.017(3) Uani 0.555(16) 1 d P A 1
H27 H 0.0399 0.6656 0.7207 0.021 Uiso 0.555(16) 1 calc PR A 1
C29' C -0.0069(7) 0.6450(6) 0.7790(11) 0.020(3) Uani 0.445(16) 1 d P A 2
H29D H -0.0492 0.6454 0.7082 0.031 Uiso 0.445(16) 1 calc PR A 2
H29E H 0.0268 0.6791 0.7578 0.031 Uiso 0.445(16) 1 calc PR A 2
H29F H -0.0206 0.6554 0.8673 0.031 Uiso 0.445(16) 1 calc PR A 2
C28' C 0.0936(8) 0.5717(8) 0.8893(14) 0.024(3) Uani 0.445(16) 1 d P A 2
H28D H 0.1140 0.5263 0.8885 0.036 Uiso 0.445(16) 1 calc PR A 2
H28E H 0.0819 0.5811 0.9797 0.036 Uiso 0.445(16) 1 calc PR A 2
H28F H 0.1280 0.6050 0.8681 0.036 Uiso 0.445(16) 1 calc PR A 2
C27' C 0.0274(5) 0.5757(5) 0.7847(10) 0.014(3) Uani 0.445(16) 1 d P A 2
H27' H -0.0073 0.5422 0.8098 0.016 Uiso 0.445(16) 1 calc PR A 2
C30 C 0.1525(2) 0.5540(2) 0.3945(5) 0.0153(9) Uani 1 1 d . . .
H30 H 0.1545 0.6040 0.3822 0.018 Uiso 1 1 calc R . .
C31 C 0.1379(3) 0.5218(2) 0.2555(5) 0.0229(10) Uani 1 1 d . . .
H31A H 0.0919 0.5374 0.2071 0.034 Uiso 1 1 calc R . .
H31B H 0.1370 0.4726 0.2652 0.034 Uiso 1 1 calc R . .
H31C H 0.1753 0.5345 0.2038 0.034 Uiso 1 1 calc R . .
C32 C 0.2244(2) 0.5305(3) 0.4719(5) 0.0248(10) Uani 1 1 d . . .
H32A H 0.2332 0.5519 0.5619 0.037 Uiso 1 1 calc R . .
H32B H 0.2619 0.5433 0.4208 0.037 Uiso 1 1 calc R . .
H32C H 0.2239 0.4813 0.4827 0.037 Uiso 1 1 calc R . .
C33 C 0.0998(6) 0.3126(5) 0.5326(10) 0.078(3) Uani 1 1 d U . .
H33 H 0.1034 0.2895 0.4503 0.093 Uiso 1 1 calc R A .
C34 C 0.0363(4) 0.2985(4) 0.5735(7) 0.0489(18) Uani 1 1 d U A .
H34 H 0.0078 0.2691 0.5118 0.059 Uiso 1 1 calc R . .
C35 C 0.0025(3) 0.3164(3) 0.6837(6) 0.0277(11) Uani 1 1 d U . .
H35 H -0.0435 0.2972 0.6774 0.033 Uiso 1 1 calc R A .
C36 C 0.0210(3) 0.3558(3) 0.7990(6) 0.0340(13) Uani 1 1 d U A .
H36 H -0.0148 0.3563 0.8547 0.041 Uiso 1 1 calc R . .
C37 C 0.0798(5) 0.3949(5) 0.8531(7) 0.069(3) Uani 1 1 d U . .
H37 H 0.0749 0.4173 0.9354 0.083 Uiso 1 1 calc R A .
C38 C 0.1486(5) 0.4083(6) 0.8066(11) 0.096(4) Uani 1 1 d U A .
H38 H 0.1802 0.4368 0.8648 0.115 Uiso 1 1 calc R . .
C39 C 0.1769(3) 0.3829(5) 0.6776(13) 0.079(3) Uani 1 1 d U . .
H39 H 0.2240 0.3982 0.6769 0.095 Uiso 1 1 calc R A .
C40 C 0.1543(7) 0.3467(7) 0.5715(13) 0.093(4) Uani 1 1 d U A .
H40 H 0.1865 0.3460 0.5084 0.112 Uiso 1 1 calc R . .


_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
Nd1 N2 2.570(4) 3_667 ?
Nd1 N1 2.581(4) 3_667 ?
Nd1 N1 2.610(4) . ?
Nd1 C18 2.658(5) . ?
Nd1 C19 2.659(5) . ?
Nd1 C13 2.671(5) . ?
Nd1 C17 2.673(5) . ?
Nd1 C15 2.674(4) . ?
Nd1 C16 2.675(5) . ?
Nd1 C20 2.677(5) . ?
Nd1 C14 2.679(5) . ?
Nd1 C1 2.944(4) 3_667 ?
Nd2 N3 2.634(6) . ?
Nd2 N4 2.652(4) . ?
Nd2 C39 2.652(7) . ?
Nd2 N3 2.656(4) 3_566 ?
Nd2 C38 2.655(7) . ?
Nd2 C37 2.658(6) . ?
Nd2 C36 2.667(5) . ?
Nd2 C35 2.668(5) . ?
Nd2 C34 2.671(7) . ?
Nd2 C40 2.682(10) . ?
Nd2 C33 2.682(9) . ?
Nd2 N4 2.761(4) 3_566 ?
N1 C1 1.361(6) . ?
N1 C7 1.496(6) . ?
N1 Nd1 2.581(4) 3_667 ?
N2 C1 1.329(6) . ?
N2 C10 1.490(6) . ?
N2 Nd1 2.571(4) 3_667 ?
N4 C21 1.343(6) . ?
N4 C30 1.482(5) . ?
N4 Nd2 2.761(4) 3_566 ?
C1 C2 1.450(6) . ?
C1 Nd1 2.944(4) 3_667 ?
C2 C3 1.203(7) . ?
C3 C4 1.439(6) . ?
C4 C5 1.504(8) . ?
C4 C6 1.506(7) . ?
C5 C6 1.479(10) . ?
C7 C9 1.518(6) . ?
C7 C8 1.526(7) . ?
C10 C12 1.521(7) . ?
C10 C11 1.526(7) . ?
C13 C20 1.398(8) . ?
C13 C14 1.404(7) . ?
C14 C15 1.400(7) . ?
C15 C16 1.418(7) . ?
C16 C17 1.404(8) . ?
C17 C18 1.413(8) . ?
C18 C19 1.416(8) . ?
C19 C20 1.410(8) . ?
C21 N3 1.346(7) . ?
C21 C22 1.434(7) . ?
C21 Nd2 2.919(4) 3_566 ?
C22 C23 1.201(8) . ?
C23 C24 1.433(7) . ?
C24 C25 1.508(7) . ?
C24 C26 1.519(7) . ?
C25 C26 1.480(8) . ?
N3 C27' 1.453(10) . ?
N3 C27 1.624(10) . ?
N3 Nd2 2.656(4) 3_566 ?
C29 C27 1.502(13) . ?
C28 C27 1.530(14) . ?
C29' C27' 1.518(14) . ?
C28' C27' 1.501(18) . ?
C30 C31 1.507(6) . ?
C30 C32 1.532(6) . ?
C33 C40 1.249(17) . ?
C33 C34 1.372(12) . ?
C34 C35 1.408(9) . ?
C35 C36 1.385(8) . ?
C36 C37 1.396(9) . ?
C37 C38 1.490(14) . ?
C38 C39 1.558(18) . ?
C39 C40 1.290(17) . ?

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
N2 Nd1 N1 52.85(12) 3_667 3_667 ?
N2 Nd1 N1 85.93(12) 3_667 . ?
N1 Nd1 N1 85.33(12) 3_667 . ?
N2 Nd1 C18 91.91(16) 3_667 . ?
N1 Nd1 C18 116.15(15) 3_667 . ?
N1 Nd1 C18 150.87(15) . . ?
N2 Nd1 C19 96.56(15) 3_667 . ?
N1 Nd1 C19 140.48(15) 3_667 . ?
N1 Nd1 C19 120.50(15) . . ?
C18 Nd1 C19 30.90(17) . . ?
N2 Nd1 C13 141.93(14) 3_667 . ?
N1 Nd1 C13 160.99(14) 3_667 . ?
N1 Nd1 C13 84.53(13) . . ?
C18 Nd1 C13 79.38(17) . . ?
C19 Nd1 C13 58.21(17) . . ?
N2 Nd1 C17 103.91(15) 3_667 . ?
N1 Nd1 C17 100.88(14) 3_667 . ?
N1 Nd1 C17 170.16(15) . . ?
C18 Nd1 C17 30.75(17) . . ?
C19 Nd1 C17 58.66(17) . . ?
C13 Nd1 C17 87.33(16) . . ?
N2 Nd1 C15 156.64(14) 3_667 . ?
N1 Nd1 C15 111.95(14) 3_667 . ?
N1 Nd1 C15 112.24(14) . . ?
C18 Nd1 C15 79.22(16) . . ?
C19 Nd1 C15 86.89(16) . . ?
C13 Nd1 C15 57.98(15) . . ?
C17 Nd1 C15 58.43(16) . . ?
N2 Nd1 C16 127.33(14) 3_667 . ?
N1 Nd1 C16 99.42(13) 3_667 . ?
N1 Nd1 C16 141.40(14) . . ?
C18 Nd1 C16 58.29(17) . . ?
C19 Nd1 C16 78.99(16) . . ?
C13 Nd1 C16 78.96(15) . . ?
C17 Nd1 C16 30.45(17) . . ?
C15 Nd1 C16 30.75(15) . . ?
N2 Nd1 C20 115.32(15) 3_667 . ?
N1 Nd1 C20 168.03(15) 3_667 . ?
N1 Nd1 C20 96.18(14) . . ?
C18 Nd1 C20 58.69(17) . . ?
C19 Nd1 C20 30.64(17) . . ?
C13 Nd1 C20 30.32(16) . . ?
C17 Nd1 C20 79.34(16) . . ?
C15 Nd1 C20 78.53(16) . . ?
C16 Nd1 C20 86.83(15) . . ?
N2 Nd1 C14 172.26(14) 3_667 . ?
N1 Nd1 C14 134.06(13) 3_667 . ?
N1 Nd1 C14 91.07(14) . . ?
C18 Nd1 C14 87.24(17) . . ?
C19 Nd1 C14 78.82(16) . . ?
C13 Nd1 C14 30.44(15) . . ?
C17 Nd1 C14 79.12(16) . . ?
C15 Nd1 C14 30.32(15) . . ?
C16 Nd1 C14 58.24(16) . . ?
C20 Nd1 C14 57.88(16) . . ?
N2 Nd1 C1 26.81(12) 3_667 3_667 ?
N1 Nd1 C1 27.53(12) 3_667 3_667 ?
N1 Nd1 C1 91.69(11) . 3_667 ?
C18 Nd1 C1 99.37(15) . 3_667 ?
C19 Nd1 C1 115.72(15) . 3_667 ?
C13 Nd1 C1 168.66(14) . 3_667 ?
C17 Nd1 C1 97.33(15) . 3_667 ?
C15 Nd1 C1 133.10(14) . 3_667 ?
C16 Nd1 C1 110.13(14) . 3_667 ?
C20 Nd1 C1 140.52(15) . 3_667 ?
C14 Nd1 C1 160.75(14) . 3_667 ?
N3 Nd2 N4 50.33(13) . . ?
N3 Nd2 C39 113.8(3) . . ?
N4 Nd2 C39 94.37(16) . . ?
N3 Nd2 N3 94.52(15) . 3_566 ?
N4 Nd2 N3 76.10(15) . 3_566 ?
C39 Nd2 N3 134.0(3) . 3_566 ?
N3 Nd2 C38 95.4(3) . . ?
N4 Nd2 C38 104.9(2) . . ?
C39 Nd2 C38 34.2(4) . . ?
N3 Nd2 C38 167.7(3) 3_566 . ?
N3 Nd2 C37 95.6(2) . . ?
N4 Nd2 C37 128.95(17) . . ?
C39 Nd2 C37 62.7(3) . . ?
N3 Nd2 C37 152.7(2) 3_566 . ?
C38 Nd2 C37 32.6(3) . . ?
N3 Nd2 C36 111.94(17) . . ?
N4 Nd2 C36 157.75(15) . . ?
C39 Nd2 C36 80.6(2) . . ?
N3 Nd2 C36 122.71(17) 3_566 . ?
C38 Nd2 C36 59.5(2) . . ?
C37 Nd2 C36 30.41(19) . . ?
N3 Nd2 C35 137.10(16) . . ?
N4 Nd2 C35 171.84(15) . . ?
C39 Nd2 C35 85.04(19) . . ?
N3 Nd2 C35 98.46(18) 3_566 . ?
C38 Nd2 C35 79.1(2) . . ?
C37 Nd2 C35 57.8(2) . . ?
C36 Nd2 C35 30.09(18) . . ?
N3 Nd2 C34 167.19(19) . . ?
N4 Nd2 C34 141.67(17) . . ?
C39 Nd2 C34 73.6(3) . . ?
N3 Nd2 C34 86.5(2) 3_566 . ?
C38 Nd2 C34 85.5(3) . . ?
C37 Nd2 C34 78.3(2) . . ?
C36 Nd2 C34 57.7(2) . . ?
C35 Nd2 C34 30.58(19) . . ?
N3 Nd2 C40 136.2(4) . . ?
N4 Nd2 C40 98.7(3) . . ?
C39 Nd2 C40 28.0(4) . . ?
N3 Nd2 C40 108.0(3) 3_566 . ?
C38 Nd2 C40 59.7(4) . . ?
C37 Nd2 C40 81.4(3) . . ?
C36 Nd2 C40 87.0(3) . . ?
C35 Nd2 C40 77.1(3) . . ?
C34 Nd2 C40 54.5(4) . . ?
N3 Nd2 C33 162.5(3) . . ?
N4 Nd2 C33 115.8(2) . . ?
C39 Nd2 C33 52.1(4) . . ?
N3 Nd2 C33 91.4(3) 3_566 . ?
C38 Nd2 C33 77.1(4) . . ?
C37 Nd2 C33 86.5(3) . . ?
C36 Nd2 C33 78.1(2) . . ?
C35 Nd2 C33 57.7(2) . . ?
C34 Nd2 C33 29.7(3) . . ?
C40 Nd2 C33 26.9(4) . . ?
N3 Nd2 N4 74.62(12) . 3_566 ?
N4 Nd2 N4 96.91(10) . 3_566 ?
C39 Nd2 N4 168.69(17) . 3_566 ?
N3 Nd2 N4 48.99(12) 3_566 3_566 ?
C38 Nd2 N4 141.4(3) . 3_566 ?
C37 Nd2 N4 110.1(2) . 3_566 ?
C36 Nd2 N4 89.28(16) . 3_566 ?
C35 Nd2 N4 83.67(13) . 3_566 ?
C34 Nd2 N4 96.75(18) . 3_566 ?
C40 Nd2 N4 147.4(4) . 3_566 ?
C33 Nd2 N4 121.0(3) . 3_566 ?
C1 N1 C7 116.2(4) . . ?
C1 N1 Nd1 91.2(3) . 3_667 ?
C7 N1 Nd1 130.9(3) . 3_667 ?
C1 N1 Nd1 102.6(3) . . ?
C7 N1 Nd1 115.7(3) . . ?
Nd1 N1 Nd1 94.67(12) 3_667 . ?
C1 N2 C10 117.9(4) . . ?
C1 N2 Nd1 92.5(3) . 3_667 ?
C10 N2 Nd1 140.6(3) . 3_667 ?
C21 N4 C30 116.2(4) . . ?
C21 N4 Nd2 92.0(3) . . ?
C30 N4 Nd2 137.3(3) . . ?
C21 N4 Nd2 83.0(2) . 3_566 ?
C30 N4 Nd2 129.1(3) . 3_566 ?
Nd2 N4 Nd2 83.09(10) . 3_566 ?
N2 C1 N1 116.9(4) . . ?
N2 C1 C2 122.4(4) . . ?
N1 C1 C2 120.7(4) . . ?
N2 C1 Nd1 60.7(2) . 3_667 ?
N1 C1 Nd1 61.2(2) . 3_667 ?
C2 C1 Nd1 158.9(3) . 3_667 ?
C3 C2 C1 173.1(5) . . ?
C2 C3 C4 178.8(5) . . ?
C3 C4 C5 118.8(4) . . ?
C3 C4 C6 119.8(5) . . ?
C5 C4 C6 58.9(4) . . ?
C6 C5 C4 60.6(4) . . ?
C5 C6 C4 60.5(4) . . ?
N1 C7 C9 108.8(4) . . ?
N1 C7 C8 112.0(4) . . ?
C9 C7 C8 109.8(4) . . ?
N2 C10 C12 109.9(4) . . ?
N2 C10 C11 111.2(4) . . ?
C12 C10 C11 110.4(4) . . ?
C20 C13 C14 135.3(5) . . ?
C20 C13 Nd1 75.1(3) . . ?
C14 C13 Nd1 75.1(3) . . ?
C15 C14 C13 135.0(5) . . ?
C15 C14 Nd1 74.6(3) . . ?
C13 C14 Nd1 74.4(3) . . ?
C14 C15 C16 135.2(5) . . ?
C14 C15 Nd1 75.0(3) . . ?
C16 C15 Nd1 74.7(3) . . ?
C17 C16 C15 135.2(5) . . ?
C17 C16 Nd1 74.7(3) . . ?
C15 C16 Nd1 74.6(3) . . ?
C16 C17 C18 134.4(5) . . ?
C16 C17 Nd1 74.9(3) . . ?
C18 C17 Nd1 74.0(3) . . ?
C17 C18 C19 134.8(5) . . ?
C17 C18 Nd1 75.2(3) . . ?
C19 C18 Nd1 74.6(3) . . ?
C20 C19 C18 135.4(5) . . ?
C20 C19 Nd1 75.4(3) . . ?
C18 C19 Nd1 74.5(3) . . ?
C13 C20 C19 134.8(5) . . ?
C13 C20 Nd1 74.6(3) . . ?
C19 C20 Nd1 74.0(3) . . ?
N4 C21 N3 113.4(4) . . ?
N4 C21 C22 121.9(4) . . ?
N3 C21 C22 124.5(5) . . ?
N4 C21 Nd2 69.8(2) . 3_566 ?
N3 C21 Nd2 65.3(2) . 3_566 ?
C22 C21 Nd2 131.1(3) . 3_566 ?
N4 C21 Nd2 61.5(3) . . ?
N3 C21 Nd2 60.8(3) . . ?
C22 C21 Nd2 154.4(3) . . ?
Nd2 C21 Nd2 74.45(11) 3_566 . ?
C23 C22 C21 175.5(6) . . ?
C22 C23 C24 179.1(5) . . ?
C23 C24 C25 118.6(4) . . ?
C23 C24 C26 119.7(5) . . ?
C25 C24 C26 58.5(4) . . ?
C26 C25 C24 61.1(3) . . ?
C25 C26 C24 60.4(3) . . ?
C21 N3 C27' 130.5(6) . . ?
C21 N3 C27 107.3(5) . . ?
C27' N3 C27 34.3(5) . . ?
C21 N3 Nd2 92.7(3) . . ?
C27' N3 Nd2 113.1(5) . . ?
C27 N3 Nd2 146.9(5) . . ?
C21 N3 Nd2 87.2(3) . 3_566 ?
C27' N3 Nd2 134.0(5) . 3_566 ?
C27 N3 Nd2 120.8(4) . 3_566 ?
Nd2 N3 Nd2 85.48(15) . 3_566 ?
C29 C27 C28 110.1(8) . . ?
C29 C27 N3 107.6(7) . . ?
C28 C27 N3 109.3(8) . . ?
N3 C27' C28' 115.4(9) . . ?
N3 C27' C29' 104.6(8) . . ?
C28' C27' C29' 112.6(10) . . ?
N4 C30 C31 110.5(4) . . ?
N4 C30 C32 111.2(4) . . ?
C31 C30 C32 110.4(4) . . ?
C40 C33 C34 138.7(11) . . ?
C40 C33 Nd2 76.5(7) . . ?
C34 C33 Nd2 74.7(4) . . ?
C33 C34 C35 136.4(9) . . ?
C33 C34 Nd2 75.6(5) . . ?
C35 C34 Nd2 74.6(4) . . ?
C36 C35 C34 134.4(6) . . ?
C36 C35 Nd2 74.9(3) . . ?
C34 C35 Nd2 74.8(4) . . ?
C35 C36 C37 135.4(6) . . ?
C35 C36 Nd2 75.0(3) . . ?
C37 C36 Nd2 74.5(3) . . ?
C36 C37 C38 132.4(9) . . ?
C36 C37 Nd2 75.1(3) . . ?
C38 C37 Nd2 73.6(4) . . ?
C37 C38 C39 130.1(8) . . ?
C37 C38 Nd2 73.8(4) . . ?
C39 C38 Nd2 72.8(4) . . ?
C40 C39 C38 137.7(8) . . ?
C40 C39 Nd2 77.3(5) . . ?
C38 C39 Nd2 73.0(4) . . ?
C33 C40 C39 134.8(11) . . ?
C33 C40 Nd2 76.5(6) . . ?
C39 C40 Nd2 74.7(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Nd1 N1 C1 145.3(3) 3_667 . . . ?
N1 Nd1 N1 C1 92.3(3) 3_667 . . . ?
C18 Nd1 N1 C1 -128.1(4) . . . . ?
C19 Nd1 N1 C1 -119.5(3) . . . . ?
C13 Nd1 N1 C1 -71.6(3) . . . . ?
C17 Nd1 N1 C1 -37.2(9) . . . . ?
C15 Nd1 N1 C1 -19.5(3) . . . . ?
C16 Nd1 N1 C1 -6.9(4) . . . . ?
C20 Nd1 N1 C1 -99.6(3) . . . . ?
C14 Nd1 N1 C1 -41.8(3) . . . . ?
C1 Nd1 N1 C1 119.1(2) 3_667 . . . ?
N2 Nd1 N1 C7 -87.2(3) 3_667 . . . ?
N1 Nd1 N1 C7 -140.2(3) 3_667 . . . ?
C18 Nd1 N1 C7 -0.6(5) . . . . ?
C19 Nd1 N1 C7 8.0(3) . . . . ?
C13 Nd1 N1 C7 55.9(3) . . . . ?
C17 Nd1 N1 C7 90.3(9) . . . . ?
C15 Nd1 N1 C7 108.0(3) . . . . ?
C16 Nd1 N1 C7 120.5(3) . . . . ?
C20 Nd1 N1 C7 27.9(3) . . . . ?
C14 Nd1 N1 C7 85.7(3) . . . . ?
C1 Nd1 N1 C7 -113.4(3) 3_667 . . . ?
N2 Nd1 N1 Nd1 53.01(12) 3_667 . . 3_667 ?
N1 Nd1 N1 Nd1 0.0 3_667 . . 3_667 ?
C18 Nd1 N1 Nd1 139.6(3) . . . 3_667 ?
C19 Nd1 N1 Nd1 148.23(15) . . . 3_667 ?
C13 Nd1 N1 Nd1 -163.90(15) . . . 3_667 ?
C17 Nd1 N1 Nd1 -129.6(8) . . . 3_667 ?
C15 Nd1 N1 Nd1 -111.82(14) . . . 3_667 ?
C16 Nd1 N1 Nd1 -99.3(2) . . . 3_667 ?
C20 Nd1 N1 Nd1 168.07(15) . . . 3_667 ?
C14 Nd1 N1 Nd1 -134.13(14) . . . 3_667 ?
C1 Nd1 N1 Nd1 26.81(13) 3_667 . . 3_667 ?
N3 Nd2 N4 C21 19.3(2) . . . . ?
C39 Nd2 N4 C21 -98.2(4) . . . . ?
N3 Nd2 N4 C21 127.4(3) 3_566 . . . ?
C38 Nd2 N4 C21 -65.2(4) . . . . ?
C37 Nd2 N4 C21 -40.2(4) . . . . ?
C36 Nd2 N4 C21 -22.5(5) . . . . ?
C35 Nd2 N4 C21 176.3(9) . . . . ?
C34 Nd2 N4 C21 -167.2(3) . . . . ?
C40 Nd2 N4 C21 -126.1(4) . . . . ?
C33 Nd2 N4 C21 -147.9(4) . . . . ?
N4 Nd2 N4 C21 82.7(2) 3_566 . . . ?
N3 Nd2 N4 C30 152.9(5) . . . . ?
C39 Nd2 N4 C30 35.4(5) . . . . ?
N3 Nd2 N4 C30 -99.0(4) 3_566 . . . ?
C38 Nd2 N4 C30 68.4(5) . . . . ?
C37 Nd2 N4 C30 93.5(5) . . . . ?
C36 Nd2 N4 C30 111.1(5) . . . . ?
C35 Nd2 N4 C30 -50.1(11) . . . . ?
C34 Nd2 N4 C30 -33.5(5) . . . . ?
C40 Nd2 N4 C30 7.6(5) . . . . ?
C33 Nd2 N4 C30 -14.3(5) . . . . ?
N4 Nd2 N4 C30 -143.7(4) 3_566 . . . ?
N3 Nd2 N4 Nd2 -63.41(14) . . . 3_566 ?
C39 Nd2 N4 Nd2 179.1(3) . . . 3_566 ?
N3 Nd2 N4 Nd2 44.69(11) 3_566 . . 3_566 ?
C38 Nd2 N4 Nd2 -147.9(3) . . . 3_566 ?
C37 Nd2 N4 Nd2 -122.9(3) . . . 3_566 ?
C36 Nd2 N4 Nd2 -105.2(4) . . . 3_566 ?
C35 Nd2 N4 Nd2 93.6(9) . . . 3_566 ?
C34 Nd2 N4 Nd2 110.1(3) . . . 3_566 ?
C40 Nd2 N4 Nd2 151.2(4) . . . 3_566 ?
C33 Nd2 N4 Nd2 129.4(3) . . . 3_566 ?
N4 Nd2 N4 Nd2 0.0 3_566 . . 3_566 ?
C10 N2 C1 N1 -179.3(4) . . . . ?
Nd1 N2 C1 N1 -25.4(4) 3_667 . . . ?
C10 N2 C1 C2 1.9(6) . . . . ?
Nd1 N2 C1 C2 155.7(4) 3_667 . . . ?
C10 N2 C1 Nd1 -153.8(4) . . . 3_667 ?
C7 N1 C1 N2 163.1(4) . . . . ?
Nd1 N1 C1 N2 25.3(4) 3_667 . . . ?
Nd1 N1 C1 N2 -69.7(4) . . . . ?
C7 N1 C1 C2 -18.1(6) . . . . ?
Nd1 N1 C1 C2 -155.8(4) 3_667 . . . ?
Nd1 N1 C1 C2 109.1(4) . . . . ?
C7 N1 C1 Nd1 137.7(4) . . . 3_667 ?
Nd1 N1 C1 Nd1 -95.06(16) . . . 3_667 ?
N2 C1 C2 C3 109(4) . . . . ?
N1 C1 C2 C3 -70(4) . . . . ?
Nd1 C1 C2 C3 -159(4) 3_667 . . . ?
C1 C2 C3 C4 -29(31) . . . . ?
C2 C3 C4 C5 11(28) . . . . ?
C2 C3 C4 C6 -58(28) . . . . ?
C3 C4 C5 C6 -109.3(5) . . . . ?
C3 C4 C6 C5 107.6(6) . . . . ?
C1 N1 C7 C9 170.4(4) . . . . ?
Nd1 N1 C7 C9 -72.4(5) 3_667 . . . ?
Nd1 N1 C7 C9 50.0(4) . . . . ?
C1 N1 C7 C8 -68.1(5) . . . . ?
Nd1 N1 C7 C8 49.1(5) 3_667 . . . ?
Nd1 N1 C7 C8 171.5(3) . . . . ?
C1 N2 C10 C12 153.0(4) . . . . ?
Nd1 N2 C10 C12 16.9(7) 3_667 . . . ?
C1 N2 C10 C11 -84.5(5) . . . . ?
Nd1 N2 C10 C11 139.5(4) 3_667 . . . ?
N2 Nd1 C13 C20 -36.0(4) 3_667 . . . ?
N1 Nd1 C13 C20 -170.3(4) 3_667 . . . ?
N1 Nd1 C13 C20 -112.2(3) . . . . ?
C18 Nd1 C13 C20 43.4(3) . . . . ?
C19 Nd1 C13 C20 19.0(3) . . . . ?
C17 Nd1 C13 C20 73.3(3) . . . . ?
C15 Nd1 C13 C20 127.2(3) . . . . ?
C16 Nd1 C13 C20 102.8(3) . . . . ?
C14 Nd1 C13 C20 146.2(5) . . . . ?
C1 Nd1 C13 C20 -41.3(8) 3_667 . . . ?
N2 Nd1 C13 C14 177.8(3) 3_667 . . . ?
N1 Nd1 C13 C14 43.5(6) 3_667 . . . ?
N1 Nd1 C13 C14 101.5(3) . . . . ?
C18 Nd1 C13 C14 -102.8(3) . . . . ?
C19 Nd1 C13 C14 -127.2(3) . . . . ?
C17 Nd1 C13 C14 -72.9(3) . . . . ?
C15 Nd1 C13 C14 -19.0(3) . . . . ?
C16 Nd1 C13 C14 -43.4(3) . . . . ?
C20 Nd1 C13 C14 -146.2(5) . . . . ?
C1 Nd1 C13 C14 172.4(6) 3_667 . . . ?
C20 C13 C14 C15 -1.5(10) . . . . ?
Nd1 C13 C14 C15 48.2(5) . . . . ?
C20 C13 C14 Nd1 -49.7(5) . . . . ?
N2 Nd1 C14 C15 -157.1(9) 3_667 . . . ?
N1 Nd1 C14 C15 51.3(4) 3_667 . . . ?
N1 Nd1 C14 C15 135.9(3) . . . . ?
C18 Nd1 C14 C15 -73.2(3) . . . . ?
C19 Nd1 C14 C15 -103.2(3) . . . . ?
C13 Nd1 C14 C15 -146.8(5) . . . . ?
C17 Nd1 C14 C15 -43.3(3) . . . . ?
C16 Nd1 C14 C15 -19.3(3) . . . . ?
C20 Nd1 C14 C15 -127.5(3) . . . . ?
C1 Nd1 C14 C15 37.7(6) 3_667 . . . ?
N2 Nd1 C14 C13 -10.2(12) 3_667 . . . ?
N1 Nd1 C14 C13 -161.8(3) 3_667 . . . ?
N1 Nd1 C14 C13 -77.3(3) . . . . ?
C18 Nd1 C14 C13 73.6(3) . . . . ?
C19 Nd1 C14 C13 43.6(3) . . . . ?
C17 Nd1 C14 C13 103.5(3) . . . . ?
C15 Nd1 C14 C13 146.8(5) . . . . ?
C16 Nd1 C14 C13 127.5(3) . . . . ?
C20 Nd1 C14 C13 19.3(3) . . . . ?
C1 Nd1 C14 C13 -175.5(3) 3_667 . . . ?
C13 C14 C15 C16 0.7(10) . . . . ?
Nd1 C14 C15 C16 48.9(5) . . . . ?
C13 C14 C15 Nd1 -48.1(5) . . . . ?
N2 Nd1 C15 C14 172.4(3) 3_667 . . . ?
N1 Nd1 C15 C14 -142.8(3) 3_667 . . . ?
N1 Nd1 C15 C14 -48.8(3) . . . . ?
C18 Nd1 C15 C14 103.2(3) . . . . ?
C19 Nd1 C15 C14 73.0(3) . . . . ?
C13 Nd1 C15 C14 19.1(3) . . . . ?
C17 Nd1 C15 C14 127.7(3) . . . . ?
C16 Nd1 C15 C14 146.6(4) . . . . ?
C20 Nd1 C15 C14 43.3(3) . . . . ?
C1 Nd1 C15 C14 -164.0(3) 3_667 . . . ?
N2 Nd1 C15 C16 25.8(5) 3_667 . . . ?
N1 Nd1 C15 C16 70.6(3) 3_667 . . . ?
N1 Nd1 C15 C16 164.6(3) . . . . ?
C18 Nd1 C15 C16 -43.4(3) . . . . ?
C19 Nd1 C15 C16 -73.6(3) . . . . ?
C13 Nd1 C15 C16 -127.5(3) . . . . ?
C17 Nd1 C15 C16 -18.9(3) . . . . ?
C20 Nd1 C15 C16 -103.3(3) . . . . ?
C14 Nd1 C15 C16 -146.6(4) . . . . ?
C1 Nd1 C15 C16 49.4(3) 3_667 . . . ?
C14 C15 C16 C17 -0.8(10) . . . . ?
Nd1 C15 C16 C17 48.2(6) . . . . ?
C14 C15 C16 Nd1 -49.0(5) . . . . ?
N2 Nd1 C16 C17 45.5(4) 3_667 . . . ?
N1 Nd1 C16 C17 95.5(3) 3_667 . . . ?
N1 Nd1 C16 C17 -170.2(3) . . . . ?
C18 Nd1 C16 C17 -19.5(3) . . . . ?
C19 Nd1 C16 C17 -44.4(3) . . . . ?
C13 Nd1 C16 C17 -103.8(3) . . . . ?
C15 Nd1 C16 C17 -147.0(5) . . . . ?
C20 Nd1 C16 C17 -74.3(3) . . . . ?
C14 Nd1 C16 C17 -128.0(3) . . . . ?
C1 Nd1 C16 C17 69.2(3) 3_667 . . . ?
N2 Nd1 C16 C15 -167.5(3) 3_667 . . . ?
N1 Nd1 C16 C15 -117.5(3) 3_667 . . . ?
N1 Nd1 C16 C15 -23.2(4) . . . . ?
C18 Nd1 C16 C15 127.5(3) . . . . ?
C19 Nd1 C16 C15 102.6(3) . . . . ?
C13 Nd1 C16 C15 43.2(3) . . . . ?
C17 Nd1 C16 C15 147.0(5) . . . . ?
C20 Nd1 C16 C15 72.8(3) . . . . ?
C14 Nd1 C16 C15 19.1(3) . . . . ?
C1 Nd1 C16 C15 -143.8(3) 3_667 . . . ?
C15 C16 C17 C18 0.3(10) . . . . ?
Nd1 C16 C17 C18 48.4(6) . . . . ?
C15 C16 C17 Nd1 -48.2(6) . . . . ?
N2 Nd1 C17 C16 -144.2(3) 3_667 . . . ?
N1 Nd1 C17 C16 -90.1(3) 3_667 . . . ?
N1 Nd1 C17 C16 38.4(10) . . . . ?
C18 Nd1 C17 C16 146.2(5) . . . . ?
C19 Nd1 C17 C16 126.5(4) . . . . ?
C13 Nd1 C17 C16 72.6(3) . . . . ?
C15 Nd1 C17 C16 19.1(3) . . . . ?
C20 Nd1 C17 C16 102.1(3) . . . . ?
C14 Nd1 C17 C16 43.1(3) . . . . ?
C1 Nd1 C17 C16 -117.8(3) 3_667 . . . ?
N2 Nd1 C17 C18 69.6(3) 3_667 . . . ?
N1 Nd1 C17 C18 123.7(3) 3_667 . . . ?
N1 Nd1 C17 C18 -107.8(9) . . . . ?
C19 Nd1 C17 C18 -19.7(3) . . . . ?
C13 Nd1 C17 C18 -73.6(3) . . . . ?
C15 Nd1 C17 C18 -127.1(4) . . . . ?
C16 Nd1 C17 C18 -146.2(5) . . . . ?
C20 Nd1 C17 C18 -44.1(3) . . . . ?
C14 Nd1 C17 C18 -103.1(3) . . . . ?
C1 Nd1 C17 C18 96.0(3) 3_667 . . . ?
C16 C17 C18 C19 0.9(11) . . . . ?
Nd1 C17 C18 C19 49.6(6) . . . . ?
C16 C17 C18 Nd1 -48.7(6) . . . . ?
N2 Nd1 C18 C17 -114.5(3) 3_667 . . . ?
N1 Nd1 C18 C17 -65.5(4) 3_667 . . . ?
N1 Nd1 C18 C17 160.5(3) . . . . ?
C19 Nd1 C18 C17 145.9(5) . . . . ?
C13 Nd1 C18 C17 102.9(3) . . . . ?
C15 Nd1 C18 C17 43.7(3) . . . . ?
C16 Nd1 C18 C17 19.4(3) . . . . ?
C20 Nd1 C18 C17 126.8(4) . . . . ?
C14 Nd1 C18 C17 73.2(3) . . . . ?
C1 Nd1 C18 C17 -88.6(3) 3_667 . . . ?
N2 Nd1 C18 C19 99.6(3) 3_667 . . . ?
N1 Nd1 C18 C19 148.6(3) 3_667 . . . ?
N1 Nd1 C18 C19 14.6(5) . . . . ?
C13 Nd1 C18 C19 -43.1(3) . . . . ?
C17 Nd1 C18 C19 -145.9(5) . . . . ?
C15 Nd1 C18 C19 -102.2(3) . . . . ?
C16 Nd1 C18 C19 -126.6(4) . . . . ?
C20 Nd1 C18 C19 -19.1(3) . . . . ?
C14 Nd1 C18 C19 -72.7(3) . . . . ?
C1 Nd1 C18 C19 125.5(3) 3_667 . . . ?
C17 C18 C19 C20 -0.6(11) . . . . ?
Nd1 C18 C19 C20 49.2(6) . . . . ?
C17 C18 C19 Nd1 -49.8(6) . . . . ?
N2 Nd1 C19 C20 130.6(3) 3_667 . . . ?
N1 Nd1 C19 C20 165.9(3) 3_667 . . . ?
N1 Nd1 C19 C20 41.5(4) . . . . ?
C18 Nd1 C19 C20 -146.7(5) . . . . ?
C13 Nd1 C19 C20 -18.8(3) . . . . ?
C17 Nd1 C19 C20 -127.1(4) . . . . ?
C15 Nd1 C19 C20 -72.6(3) . . . . ?
C16 Nd1 C19 C20 -102.6(3) . . . . ?
C14 Nd1 C19 C20 -43.1(3) . . . . ?
C1 Nd1 C19 C20 150.2(3) 3_667 . . . ?
N2 Nd1 C19 C18 -82.7(3) 3_667 . . . ?
N1 Nd1 C19 C18 -47.4(4) 3_667 . . . ?
N1 Nd1 C19 C18 -171.8(3) . . . . ?
C13 Nd1 C19 C18 127.9(4) . . . . ?
C17 Nd1 C19 C18 19.6(3) . . . . ?
C15 Nd1 C19 C18 74.1(3) . . . . ?
C16 Nd1 C19 C18 44.1(3) . . . . ?
C20 Nd1 C19 C18 146.7(5) . . . . ?
C14 Nd1 C19 C18 103.6(3) . . . . ?
C1 Nd1 C19 C18 -63.1(4) 3_667 . . . ?
C14 C13 C20 C19 2.3(10) . . . . ?
Nd1 C13 C20 C19 -47.4(6) . . . . ?
C14 C13 C20 Nd1 49.7(5) . . . . ?
C18 C19 C20 C13 -1.3(11) . . . . ?
Nd1 C19 C20 C13 47.6(6) . . . . ?
C18 C19 C20 Nd1 -48.9(6) . . . . ?
N2 Nd1 C20 C13 156.4(3) 3_667 . . . ?
N1 Nd1 C20 C13 164.6(6) 3_667 . . . ?
N1 Nd1 C20 C13 68.0(3) . . . . ?
C18 Nd1 C20 C13 -127.8(3) . . . . ?
C19 Nd1 C20 C13 -147.1(5) . . . . ?
C17 Nd1 C20 C13 -103.2(3) . . . . ?
C15 Nd1 C20 C13 -43.5(3) . . . . ?
C16 Nd1 C20 C13 -73.4(3) . . . . ?
C14 Nd1 C20 C13 -19.4(3) . . . . ?
C1 Nd1 C20 C13 168.2(3) 3_667 . . . ?
N2 Nd1 C20 C19 -56.6(3) 3_667 . . . ?
N1 Nd1 C20 C19 -48.3(8) 3_667 . . . ?
N1 Nd1 C20 C19 -145.0(3) . . . . ?
C18 Nd1 C20 C19 19.3(3) . . . . ?
C13 Nd1 C20 C19 147.1(5) . . . . ?
C17 Nd1 C20 C19 43.9(3) . . . . ?
C15 Nd1 C20 C19 103.5(3) . . . . ?
C16 Nd1 C20 C19 73.6(3) . . . . ?
C14 Nd1 C20 C19 127.6(4) . . . . ?
C1 Nd1 C20 C19 -44.7(4) 3_667 . . . ?
C30 N4 C21 N3 -179.7(4) . . . . ?
Nd2 N4 C21 N3 -32.8(4) . . . . ?
Nd2 N4 C21 N3 49.9(4) 3_566 . . . ?
C30 N4 C21 C22 3.7(6) . . . . ?
Nd2 N4 C21 C22 150.6(4) . . . . ?
Nd2 N4 C21 C22 -126.6(4) 3_566 . . . ?
C30 N4 C21 Nd2 130.4(4) . . . 3_566 ?
Nd2 N4 C21 Nd2 -82.78(10) . . . 3_566 ?
C30 N4 C21 Nd2 -146.8(4) . . . . ?
Nd2 N4 C21 Nd2 82.78(10) 3_566 . . . ?
N3 Nd2 C21 N4 -145.2(4) . . . . ?
C39 Nd2 C21 N4 84.6(4) . . . . ?
N3 Nd2 C21 N4 -50.5(3) 3_566 . . . ?
C38 Nd2 C21 N4 118.6(4) . . . . ?
C37 Nd2 C21 N4 148.3(3) . . . . ?
C36 Nd2 C21 N4 168.7(3) . . . . ?
C35 Nd2 C21 N4 -178.3(4) . . . . ?
C34 Nd2 C21 N4 35.6(8) . . . . ?
C40 Nd2 C21 N4 60.4(4) . . . . ?
C33 Nd2 C21 N4 44.3(4) . . . . ?
N4 Nd2 C21 N4 -99.6(2) 3_566 . . . ?
N4 Nd2 C21 N3 145.2(4) . . . . ?
C39 Nd2 C21 N3 -130.2(4) . . . . ?
N3 Nd2 C21 N3 94.7(3) 3_566 . . . ?
C38 Nd2 C21 N3 -96.2(4) . . . . ?
C37 Nd2 C21 N3 -66.5(4) . . . . ?
C36 Nd2 C21 N3 -46.1(4) . . . . ?
C35 Nd2 C21 N3 -33.1(6) . . . . ?
C34 Nd2 C21 N3 -179.2(7) . . . . ?
C40 Nd2 C21 N3 -154.4(4) . . . . ?
C33 Nd2 C21 N3 -170.4(4) . . . . ?
N4 Nd2 C21 N3 45.6(3) 3_566 . . . ?
N3 Nd2 C21 C22 109.7(9) . . . . ?
N4 Nd2 C21 C22 -105.1(9) . . . . ?
C39 Nd2 C21 C22 -20.5(9) . . . . ?
N3 Nd2 C21 C22 -155.6(8) 3_566 . . . ?
C38 Nd2 C21 C22 13.5(9) . . . . ?
C37 Nd2 C21 C22 43.2(9) . . . . ?
C36 Nd2 C21 C22 63.6(9) . . . . ?
C35 Nd2 C21 C22 76.6(9) . . . . ?
C34 Nd2 C21 C22 -69.5(12) . . . . ?
C40 Nd2 C21 C22 -44.7(9) . . . . ?
C33 Nd2 C21 C22 -60.8(9) . . . . ?
N4 Nd2 C21 C22 155.3(8) 3_566 . . . ?
N3 Nd2 C21 Nd2 -70.1(3) . . . 3_566 ?
N4 Nd2 C21 Nd2 75.1(2) . . . 3_566 ?
C39 Nd2 C21 Nd2 159.7(3) . . . 3_566 ?
N3 Nd2 C21 Nd2 24.60(12) 3_566 . . 3_566 ?
C38 Nd2 C21 Nd2 -166.3(3) . . . 3_566 ?
C37 Nd2 C21 Nd2 -136.6(2) . . . 3_566 ?
C36 Nd2 C21 Nd2 -116.2(2) . . . 3_566 ?
C35 Nd2 C21 Nd2 -103.2(4) . . . 3_566 ?
C34 Nd2 C21 Nd2 110.7(7) . . . 3_566 ?
C40 Nd2 C21 Nd2 135.5(3) . . . 3_566 ?
C33 Nd2 C21 Nd2 119.5(3) . . . 3_566 ?
N4 Nd2 C21 Nd2 -24.45(11) 3_566 . . 3_566 ?
N4 C21 C22 C23 43(7) . . . . ?
N3 C21 C22 C23 -133(6) . . . . ?
Nd2 C21 C22 C23 -47(7) 3_566 . . . ?
Nd2 C21 C22 C23 133(6) . . . . ?
C21 C22 C23 C24 -81(41) . . . . ?
C22 C23 C24 C25 161(39) . . . . ?
C22 C23 C24 C26 -131(39) . . . . ?
C23 C24 C25 C26 109.1(5) . . . . ?
C23 C24 C26 C25 -107.3(5) . . . . ?
N4 C21 N3 C27' 157.0(7) . . . . ?
C22 C21 N3 C27' -26.5(10) . . . . ?
Nd2 C21 N3 C27' -150.7(8) 3_566 . . . ?
Nd2 C21 N3 C27' 123.9(8) . . . . ?
N4 C21 N3 C27 -173.6(5) . . . . ?
C22 C21 N3 C27 2.8(7) . . . . ?
Nd2 C21 N3 C27 -121.4(5) 3_566 . . . ?
Nd2 C21 N3 C27 153.3(5) . . . . ?
N4 C21 N3 Nd2 33.1(4) . . . . ?
C22 C21 N3 Nd2 -150.4(4) . . . . ?
Nd2 C21 N3 Nd2 85.34(15) 3_566 . . . ?
N4 C21 N3 Nd2 -52.2(4) . . . 3_566 ?
C22 C21 N3 Nd2 124.2(5) . . . 3_566 ?
Nd2 C21 N3 Nd2 -85.34(15) . . . 3_566 ?
N4 Nd2 N3 C21 -19.3(2) . . . . ?
C39 Nd2 N3 C21 55.8(4) . . . . ?
N3 Nd2 N3 C21 -87.0(3) 3_566 . . . ?
C38 Nd2 N3 C21 85.7(4) . . . . ?
C37 Nd2 N3 C21 118.4(3) . . . . ?
C36 Nd2 N3 C21 144.9(3) . . . . ?
C35 Nd2 N3 C21 165.4(3) . . . . ?
C34 Nd2 N3 C21 179.1(7) . . . . ?
C40 Nd2 N3 C21 35.1(5) . . . . ?
C33 Nd2 N3 C21 22.2(8) . . . . ?
N4 Nd2 N3 C21 -132.2(3) 3_566 . . . ?
N4 Nd2 N3 C27' -155.9(5) . . . . ?
C39 Nd2 N3 C27' -80.8(5) . . . . ?
N3 Nd2 N3 C27' 136.3(5) 3_566 . . . ?
C38 Nd2 N3 C27' -50.9(6) . . . . ?
C37 Nd2 N3 C27' -18.2(5) . . . . ?
C36 Nd2 N3 C27' 8.3(5) . . . . ?
C35 Nd2 N3 C27' 28.8(6) . . . . ?
C34 Nd2 N3 C27' 42.5(10) . . . . ?
C40 Nd2 N3 C27' -101.6(6) . . . . ?
C33 Nd2 N3 C27' -114.4(9) . . . . ?
N4 Nd2 N3 C27' 91.1(5) 3_566 . . . ?
N4 Nd2 N3 C27 -147.4(7) . . . . ?
C39 Nd2 N3 C27 -72.3(7) . . . . ?
N3 Nd2 N3 C27 144.9(7) 3_566 . . . ?
C38 Nd2 N3 C27 -42.4(7) . . . . ?
C37 Nd2 N3 C27 -9.7(7) . . . . ?
C36 Nd2 N3 C27 16.8(7) . . . . ?
C35 Nd2 N3 C27 37.3(8) . . . . ?
C34 Nd2 N3 C27 51.0(11) . . . . ?
C40 Nd2 N3 C27 -93.1(8) . . . . ?
C33 Nd2 N3 C27 -105.9(10) . . . . ?
N4 Nd2 N3 C27 99.7(7) 3_566 . . . ?
N4 Nd2 N3 Nd2 67.75(14) . . . 3_566 ?
C39 Nd2 N3 Nd2 142.8(3) . . . 3_566 ?
N3 Nd2 N3 Nd2 0.0 3_566 . . 3_566 ?
C38 Nd2 N3 Nd2 172.7(3) . . . 3_566 ?
C37 Nd2 N3 Nd2 -154.5(2) . . . 3_566 ?
C36 Nd2 N3 Nd2 -128.04(16) . . . 3_566 ?
C35 Nd2 N3 Nd2 -107.6(2) . . . 3_566 ?
C34 Nd2 N3 Nd2 -93.9(8) . . . 3_566 ?
C40 Nd2 N3 Nd2 122.1(4) . . . 3_566 ?
C33 Nd2 N3 Nd2 109.2(7) . . . 3_566 ?
N4 Nd2 N3 Nd2 -45.21(11) 3_566 . . 3_566 ?
C21 N3 C27 C29 161.7(7) . . . . ?
C27' N3 C27 C29 -59.7(9) . . . . ?
Nd2 N3 C27 C29 -73.7(10) . . . . ?
Nd2 N3 C27 C29 64.4(8) 3_566 . . . ?
C21 N3 C27 C28 -78.7(8) . . . . ?
C27' N3 C27 C28 59.9(10) . . . . ?
Nd2 N3 C27 C28 45.9(11) . . . . ?
Nd2 N3 C27 C28 -176.0(6) 3_566 . . . ?
C21 N3 C27' C28' -37.6(13) . . . . ?
C27 N3 C27' C28' -93.7(12) . . . . ?
Nd2 N3 C27' C28' 78.0(10) . . . . ?
Nd2 N3 C27' C28' -175.0(8) 3_566 . . . ?
C21 N3 C27' C29' 86.6(10) . . . . ?
C27 N3 C27' C29' 30.5(8) . . . . ?
Nd2 N3 C27' C29' -157.8(7) . . . . ?
Nd2 N3 C27' C29' -50.7(12) 3_566 . . . ?
C21 N4 C30 C31 -161.8(4) . . . . ?
Nd2 N4 C30 C31 71.9(5) . . . . ?
Nd2 N4 C30 C31 -58.8(5) 3_566 . . . ?
C21 N4 C30 C32 75.3(5) . . . . ?
Nd2 N4 C30 C32 -51.0(5) . . . . ?
Nd2 N4 C30 C32 178.3(3) 3_566 . . . ?
N3 Nd2 C33 C40 19.9(12) . . . . ?
N4 Nd2 C33 C40 54.3(7) . . . . ?
C39 Nd2 C33 C40 -20.1(6) . . . . ?
N3 Nd2 C33 C40 129.5(6) 3_566 . . . ?
C38 Nd2 C33 C40 -46.2(6) . . . . ?
C37 Nd2 C33 C40 -77.8(6) . . . . ?
C36 Nd2 C33 C40 -107.3(7) . . . . ?
C35 Nd2 C33 C40 -131.3(7) . . . . ?
C34 Nd2 C33 C40 -150.0(9) . . . . ?
N4 Nd2 C33 C40 170.8(6) 3_566 . . . ?
N3 Nd2 C33 C34 169.9(5) . . . . ?
N4 Nd2 C33 C34 -155.6(4) . . . . ?
C39 Nd2 C33 C34 130.0(6) . . . . ?
N3 Nd2 C33 C34 -80.4(5) 3_566 . . . ?
C38 Nd2 C33 C34 103.8(5) . . . . ?
C37 Nd2 C33 C34 72.3(5) . . . . ?
C36 Nd2 C33 C34 42.8(5) . . . . ?
C35 Nd2 C33 C34 18.7(4) . . . . ?
C40 Nd2 C33 C34 150.0(9) . . . . ?
N4 Nd2 C33 C34 -39.1(5) 3_566 . . . ?
C40 C33 C34 C35 -0.8(17) . . . . ?
Nd2 C33 C34 C35 -48.2(7) . . . . ?
C40 C33 C34 Nd2 47.4(11) . . . . ?
N3 Nd2 C34 C33 -166.2(7) . . . . ?
N4 Nd2 C34 C33 36.8(6) . . . . ?
C39 Nd2 C34 C33 -39.1(5) . . . . ?
N3 Nd2 C34 C33 99.0(5) 3_566 . . . ?
C38 Nd2 C34 C33 -71.7(6) . . . . ?
C37 Nd2 C34 C33 -103.8(6) . . . . ?
C36 Nd2 C34 C33 -128.2(6) . . . . ?
C35 Nd2 C34 C33 -147.8(7) . . . . ?
C40 Nd2 C34 C33 -16.1(6) . . . . ?
N4 Nd2 C34 C33 147.0(5) 3_566 . . . ?
N3 Nd2 C34 C35 -18.5(10) . . . . ?
N4 Nd2 C34 C35 -175.4(3) . . . . ?
C39 Nd2 C34 C35 108.7(4) . . . . ?
N3 Nd2 C34 C35 -113.2(4) 3_566 . . . ?
C38 Nd2 C34 C35 76.0(4) . . . . ?
C37 Nd2 C34 C35 43.9(4) . . . . ?
C36 Nd2 C34 C35 19.6(3) . . . . ?
C40 Nd2 C34 C35 131.6(5) . . . . ?
C33 Nd2 C34 C35 147.8(7) . . . . ?
N4 Nd2 C34 C35 -65.3(4) 3_566 . . . ?
C33 C34 C35 C36 -1.4(12) . . . . ?
Nd2 C34 C35 C36 -49.8(6) . . . . ?
C33 C34 C35 Nd2 48.5(8) . . . . ?
N3 Nd2 C35 C36 -40.3(4) . . . . ?
N4 Nd2 C35 C36 165.9(8) . . . . ?
C39 Nd2 C35 C36 79.7(5) . . . . ?
N3 Nd2 C35 C36 -146.4(3) 3_566 . . . ?
C38 Nd2 C35 C36 45.8(5) . . . . ?
C37 Nd2 C35 C36 19.0(4) . . . . ?
C34 Nd2 C35 C36 145.6(5) . . . . ?
C40 Nd2 C35 C36 106.9(5) . . . . ?
C33 Nd2 C35 C36 127.4(5) . . . . ?
N4 Nd2 C35 C36 -99.6(3) 3_566 . . . ?
N3 Nd2 C35 C34 174.1(3) . . . . ?
N4 Nd2 C35 C34 20.3(11) . . . . ?
C39 Nd2 C35 C34 -65.8(5) . . . . ?
N3 Nd2 C35 C34 68.0(4) 3_566 . . . ?
C38 Nd2 C35 C34 -99.8(5) . . . . ?
C37 Nd2 C35 C34 -126.6(5) . . . . ?
C36 Nd2 C35 C34 -145.6(5) . . . . ?
C40 Nd2 C35 C34 -38.7(5) . . . . ?
C33 Nd2 C35 C34 -18.2(4) . . . . ?
N4 Nd2 C35 C34 114.8(4) 3_566 . . . ?
C34 C35 C36 C37 1.5(13) . . . . ?
Nd2 C35 C36 C37 -48.3(8) . . . . ?
C34 C35 C36 Nd2 49.8(6) . . . . ?
N3 Nd2 C36 C35 151.6(3) . . . . ?
N4 Nd2 C36 C35 -174.8(3) . . . . ?
C39 Nd2 C36 C35 -96.4(5) . . . . ?
N3 Nd2 C36 C35 40.6(4) 3_566 . . . ?
C38 Nd2 C36 C35 -125.3(5) . . . . ?
C37 Nd2 C36 C35 -147.0(7) . . . . ?
C34 Nd2 C36 C35 -19.9(3) . . . . ?
C40 Nd2 C36 C35 -69.0(5) . . . . ?
C33 Nd2 C36 C35 -43.4(4) . . . . ?
N4 Nd2 C36 C35 78.6(3) 3_566 . . . ?
N3 Nd2 C36 C37 -61.4(6) . . . . ?
N4 Nd2 C36 C37 -27.8(8) . . . . ?
C39 Nd2 C36 C37 50.6(6) . . . . ?
N3 Nd2 C36 C37 -172.4(5) 3_566 . . . ?
C38 Nd2 C36 C37 21.7(6) . . . . ?
C35 Nd2 C36 C37 147.0(7) . . . . ?
C34 Nd2 C36 C37 127.1(6) . . . . ?
C40 Nd2 C36 C37 78.0(7) . . . . ?
C33 Nd2 C36 C37 103.7(6) . . . . ?
N4 Nd2 C36 C37 -134.4(6) 3_566 . . . ?
C35 C36 C37 C38 -1.9(15) . . . . ?
Nd2 C36 C37 C38 -50.4(9) . . . . ?
C35 C36 C37 Nd2 48.5(8) . . . . ?
N3 Nd2 C37 C36 125.1(5) . . . . ?
N4 Nd2 C37 C36 166.9(4) . . . . ?
C39 Nd2 C37 C36 -121.0(6) . . . . ?
N3 Nd2 C37 C36 14.0(10) 3_566 . . . ?
C38 Nd2 C37 C36 -143.6(9) . . . . ?
C35 Nd2 C37 C36 -18.8(4) . . . . ?
C34 Nd2 C37 C36 -43.5(5) . . . . ?
C40 Nd2 C37 C36 -98.9(6) . . . . ?
C33 Nd2 C37 C36 -72.3(6) . . . . ?
N4 Nd2 C37 C36 49.5(6) 3_566 . . . ?
N3 Nd2 C37 C38 -91.2(6) . . . . ?
N4 Nd2 C37 C38 -49.5(7) . . . . ?
C39 Nd2 C37 C38 22.7(6) . . . . ?
N3 Nd2 C37 C38 157.6(6) 3_566 . . . ?
C36 Nd2 C37 C38 143.6(9) . . . . ?
C35 Nd2 C37 C38 124.8(7) . . . . ?
C34 Nd2 C37 C38 100.2(6) . . . . ?
C40 Nd2 C37 C38 44.7(7) . . . . ?
C33 Nd2 C37 C38 71.3(7) . . . . ?
N4 Nd2 C37 C38 -166.9(6) 3_566 . . . ?
C36 C37 C38 C39 1.2(16) . . . . ?
Nd2 C37 C38 C39 -49.7(8) . . . . ?
C36 C37 C38 Nd2 50.9(9) . . . . ?
N3 Nd2 C38 C37 92.0(6) . . . . ?
N4 Nd2 C38 C37 142.3(5) . . . . ?
C39 Nd2 C38 C37 -142.4(8) . . . . ?
N3 Nd2 C38 C37 -124.5(11) 3_566 . . . ?
C36 Nd2 C38 C37 -20.4(5) . . . . ?
C35 Nd2 C38 C37 -45.0(6) . . . . ?
C34 Nd2 C38 C37 -75.2(6) . . . . ?
C40 Nd2 C38 C37 -126.3(7) . . . . ?
C33 Nd2 C38 C37 -104.1(6) . . . . ?
N4 Nd2 C38 C37 20.0(8) 3_566 . . . ?
N3 Nd2 C38 C39 -125.7(5) . . . . ?
N4 Nd2 C38 C39 -75.4(5) . . . . ?
N3 Nd2 C38 C39 17.9(13) 3_566 . . . ?
C37 Nd2 C38 C39 142.4(8) . . . . ?
C36 Nd2 C38 C39 122.0(6) . . . . ?
C35 Nd2 C38 C39 97.3(5) . . . . ?
C34 Nd2 C38 C39 67.2(5) . . . . ?
C40 Nd2 C38 C39 16.1(5) . . . . ?
C33 Nd2 C38 C39 38.3(5) . . . . ?
N4 Nd2 C38 C39 162.4(4) 3_566 . . . ?
C37 C38 C39 C40 2.6(17) . . . . ?
Nd2 C38 C39 C40 -47.5(11) . . . . ?
C37 C38 C39 Nd2 50.1(9) . . . . ?
N3 Nd2 C39 C40 -148.5(6) . . . . ?
N4 Nd2 C39 C40 -100.2(6) . . . . ?
N3 Nd2 C39 C40 -25.4(7) 3_566 . . . ?
C38 Nd2 C39 C40 149.4(8) . . . . ?
C37 Nd2 C39 C40 127.7(7) . . . . ?
C36 Nd2 C39 C40 101.6(6) . . . . ?
C35 Nd2 C39 C40 71.6(6) . . . . ?
C34 Nd2 C39 C40 42.6(6) . . . . ?
C33 Nd2 C39 C40 19.3(6) . . . . ?
N4 Nd2 C39 C40 75.0(19) 3_566 . . . ?
N3 Nd2 C39 C38 62.1(5) . . . . ?
N4 Nd2 C39 C38 110.4(5) . . . . ?
N3 Nd2 C39 C38 -174.8(4) 3_566 . . . ?
C37 Nd2 C39 C38 -21.7(4) . . . . ?
C36 Nd2 C39 C38 -47.8(4) . . . . ?
C35 Nd2 C39 C38 -77.8(5) . . . . ?
C34 Nd2 C39 C38 -106.7(5) . . . . ?
C40 Nd2 C39 C38 -149.4(8) . . . . ?
C33 Nd2 C39 C38 -130.1(5) . . . . ?
N4 Nd2 C39 C38 -74.4(19) 3_566 . . . ?
C34 C33 C40 C39 5(2) . . . . ?
Nd2 C33 C40 C39 51.7(12) . . . . ?
C34 C33 C40 Nd2 -46.9(11) . . . . ?
C38 C39 C40 C33 -6(2) . . . . ?
Nd2 C39 C40 C33 -52.3(12) . . . . ?
C38 C39 C40 Nd2 46.3(10) . . . . ?
N3 Nd2 C40 C33 -171.5(5) . . . . ?
N4 Nd2 C40 C33 -132.3(6) . . . . ?
C39 Nd2 C40 C33 144.7(10) . . . . ?
N3 Nd2 C40 C33 -54.2(6) 3_566 . . . ?
C38 Nd2 C40 C33 125.4(7) . . . . ?
C37 Nd2 C40 C33 99.4(6) . . . . ?
C36 Nd2 C40 C33 69.4(6) . . . . ?
C35 Nd2 C40 C33 40.7(6) . . . . ?
C34 Nd2 C40 C33 17.7(5) . . . . ?
N4 Nd2 C40 C33 -14.7(9) 3_566 . . . ?
N3 Nd2 C40 C39 43.7(7) . . . . ?
N4 Nd2 C40 C39 83.0(6) . . . . ?
N3 Nd2 C40 C39 161.1(5) 3_566 . . . ?
C38 Nd2 C40 C39 -19.3(5) . . . . ?
C37 Nd2 C40 C39 -45.3(6) . . . . ?
C36 Nd2 C40 C39 -75.4(6) . . . . ?
C35 Nd2 C40 C39 -104.1(6) . . . . ?
C34 Nd2 C40 C39 -127.1(6) . . . . ?
C33 Nd2 C40 C39 -144.7(10) . . . . ?
N4 Nd2 C40 C39 -159.4(5) 3_566 . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        75.80
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         2.307
_refine_diff_density_min         -2.782
_refine_diff_density_rms         0.131
####################################################################### 
# 
# 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_ip447
_database_code_depnum_ccdc_archive 'CCDC 1057411'
_audit_update_record             
;
2015-04-01 deposited with the CCDC.
2016-06-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C56 H84 Ce2 N8'
_chemical_formula_weight         1149.55

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'
Ce Ce -0.2486 2.6331 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_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                   21.938(4)
_cell_length_b                   17.320(4)
_cell_length_c                   16.644(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 112.97(3)
_cell_angle_gamma                90.00
_cell_volume                     5823(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    75709
_cell_measurement_theta_min      1.94
_cell_measurement_theta_max      29.62

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2368
_exptl_absorpt_coefficient_mu    1.584
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            35080
_diffrn_reflns_av_R_equivalents  0.0551
_diffrn_reflns_av_sigmaI/netI    0.0295
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.28
_diffrn_reflns_theta_max         29.23
_reflns_number_total             7841
_reflns_number_gt                7322
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_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)+(0.0298P)²+16.5042P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7841
_refine_ls_number_parameters     299
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0333
_refine_ls_wR_factor_ref         0.0821
_refine_ls_wR_factor_gt          0.0806
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_restrained_S_all      1.155
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ce1 Ce 0.5000 -0.275842(10) 0.7500 0.01830(5) Uani 1 2 d S . .
Ce2 Ce 0.5000 -0.018074(10) 0.7500 0.01937(5) Uani 1 2 d S . .
N1 N 0.61178(12) -0.33934(14) 0.79399(16) 0.0288(5) Uani 1 1 d . . .
N2 N 0.53366(12) -0.36681(14) 0.65990(17) 0.0305(5) Uani 1 1 d . . .
N3 N 0.39858(11) 0.04586(13) 0.63835(14) 0.0260(4) Uani 1 1 d . . .
N4 N 0.50084(12) 0.07023(14) 0.86569(15) 0.0286(5) Uani 1 1 d . . .
C1 C 0.59009(14) -0.38585(16) 0.7252(2) 0.0297(6) Uani 1 1 d . . .
C2 C 0.62421(18) -0.45724(19) 0.7219(3) 0.0425(7) Uani 1 1 d . . .
C3 C 0.6479(2) -0.5182(2) 0.7200(3) 0.0573(11) Uani 1 1 d . . .
C4 C 0.6756(3) -0.5945(3) 0.7189(4) 0.0749(15) Uani 1 1 d . . .
H4 H 0.6652 -0.6171 0.6598 0.090 Uiso 1 1 calc R . .
C5 C 0.6783(3) -0.6480(3) 0.7850(6) 0.108(3) Uani 1 1 d . . .
H5A H 0.6693 -0.7030 0.7683 0.130 Uiso 1 1 calc R . .
H5B H 0.6629 -0.6304 0.8305 0.130 Uiso 1 1 calc R . .
C6 C 0.7400(2) -0.6139(3) 0.7846(3) 0.0668(12) Uani 1 1 d . . .
H6A H 0.7630 -0.5746 0.8294 0.080 Uiso 1 1 calc R . .
H6B H 0.7694 -0.6473 0.7671 0.080 Uiso 1 1 calc R . .
C7 C 0.67678(15) -0.3539(2) 0.8624(2) 0.0382(7) Uani 1 1 d . . .
H7 H 0.6840 -0.4110 0.8691 0.046 Uiso 1 1 calc R . .
C8 C 0.73077(18) -0.3186(4) 0.8384(3) 0.0710(15) Uani 1 1 d . . .
H8A H 0.7286 -0.3407 0.7832 0.107 Uiso 1 1 calc R . .
H8B H 0.7741 -0.3298 0.8845 0.107 Uiso 1 1 calc R . .
H8C H 0.7244 -0.2626 0.8321 0.107 Uiso 1 1 calc R . .
C9 C 0.68046(16) -0.3208(2) 0.9485(2) 0.0462(8) Uani 1 1 d . . .
H9A H 0.6460 -0.3443 0.9642 0.069 Uiso 1 1 calc R . .
H9B H 0.6738 -0.2648 0.9429 0.069 Uiso 1 1 calc R . .
H9C H 0.7240 -0.3319 0.9941 0.069 Uiso 1 1 calc R . .
C10 C 0.50537(17) -0.4173(2) 0.5839(2) 0.0412(7) Uani 1 1 d . . .
H10 H 0.5423 -0.4479 0.5786 0.049 Uiso 1 1 calc R . .
C11 C 0.4562(2) -0.4741(2) 0.5959(3) 0.0547(10) Uani 1 1 d . . .
H11A H 0.4785 -0.5043 0.6491 0.082 Uiso 1 1 calc R . .
H11B H 0.4393 -0.5088 0.5455 0.082 Uiso 1 1 calc R . .
H11C H 0.4193 -0.4454 0.6009 0.082 Uiso 1 1 calc R . .
C12 C 0.47493(18) -0.3682(2) 0.5025(2) 0.0487(9) Uani 1 1 d . . .
H12A H 0.5085 -0.3331 0.4981 0.073 Uiso 1 1 calc R . .
H12B H 0.4382 -0.3381 0.5059 0.073 Uiso 1 1 calc R . .
H12C H 0.4584 -0.4017 0.4510 0.073 Uiso 1 1 calc R . .
C13 C 0.43486(14) 0.08658(15) 0.60544(16) 0.0253(5) Uani 1 1 d . . .
C14 C 0.40653(15) 0.14771(16) 0.54172(19) 0.0308(6) Uani 1 1 d . . .
C15 C 0.38519(15) 0.19918(17) 0.4910(2) 0.0312(6) Uani 1 1 d . . .
C16 C 0.35895(15) 0.26270(17) 0.4313(2) 0.0337(6) Uani 1 1 d . . .
H16 H 0.3756 0.2674 0.3834 0.040 Uiso 1 1 calc R . .
C17 C 0.28866(17) 0.2880(2) 0.4093(2) 0.0400(7) Uani 1 1 d . . .
H17A H 0.2629 0.3063 0.3491 0.048 Uiso 1 1 calc R . .
H17B H 0.2626 0.2597 0.4367 0.048 Uiso 1 1 calc R . .
C18 C 0.34425(19) 0.33736(19) 0.4666(3) 0.0471(8) Uani 1 1 d . . .
H18A H 0.3526 0.3395 0.5294 0.057 Uiso 1 1 calc R . .
H18B H 0.3529 0.3861 0.4418 0.057 Uiso 1 1 calc R . .
C19 C 0.32672(14) 0.05505(17) 0.60091(19) 0.0303(5) Uani 1 1 d . . .
H19 H 0.3161 0.1111 0.5888 0.036 Uiso 1 1 calc R . .
C20 C 0.29821(15) 0.0276(2) 0.6657(2) 0.0373(7) Uani 1 1 d . . .
H20A H 0.3184 0.0567 0.7202 0.056 Uiso 1 1 calc R . .
H20B H 0.3076 -0.0275 0.6774 0.056 Uiso 1 1 calc R . .
H20C H 0.2502 0.0359 0.6413 0.056 Uiso 1 1 calc R . .
C21 C 0.29553(17) 0.0105(2) 0.5156(2) 0.0422(8) Uani 1 1 d . . .
H21A H 0.3140 0.0289 0.4741 0.063 Uiso 1 1 calc R . .
H21B H 0.2475 0.0187 0.4911 0.063 Uiso 1 1 calc R . .
H21C H 0.3050 -0.0446 0.5267 0.063 Uiso 1 1 calc R . .
C22 C 0.45679(16) 0.11382(19) 0.8955(2) 0.0351(6) Uani 1 1 d . . .
H22 H 0.4842 0.1385 0.9525 0.042 Uiso 1 1 calc R . .
C23 C 0.40901(16) 0.0576(2) 0.9107(2) 0.0407(7) Uani 1 1 d . . .
H23A H 0.4341 0.0181 0.9528 0.061 Uiso 1 1 calc R . .
H23B H 0.3816 0.0329 0.8554 0.061 Uiso 1 1 calc R . .
H23C H 0.3806 0.0857 0.9338 0.061 Uiso 1 1 calc R . .
C24 C 0.4212(2) 0.1773(2) 0.8311(3) 0.0486(9) Uani 1 1 d . . .
H24A H 0.4539 0.2122 0.8239 0.073 Uiso 1 1 calc R . .
H24B H 0.3928 0.2065 0.8534 0.073 Uiso 1 1 calc R . .
H24C H 0.3940 0.1543 0.7747 0.073 Uiso 1 1 calc R . .
C25 C 0.51791(17) -0.14776(15) 0.65068(19) 0.0313(6) Uani 1 1 d . . .
H25 H 0.5271 -0.1480 0.5994 0.038 Uiso 1 1 calc R . .
C26 C 0.57538(15) -0.14653(15) 0.7275(2) 0.0313(6) Uani 1 1 d . . .
H26 H 0.6147 -0.1445 0.7164 0.038 Uiso 1 1 calc R . .
C27 C 0.58841(14) -0.14759(15) 0.8174(2) 0.0308(6) Uani 1 1 d . . .
H27 H 0.6345 -0.1475 0.8525 0.037 Uiso 1 1 calc R . .
C28 C 0.54990(16) -0.14874(15) 0.86739(17) 0.0307(6) Uani 1 1 d . . .
H28 H 0.5761 -0.1507 0.9282 0.037 Uiso 1 1 calc R . .


_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
Ce1 N2 2.478(2) 2_656 ?
Ce1 N2 2.478(2) . ?
Ce1 N1 2.521(2) 2_656 ?
Ce1 N1 2.521(2) . ?
Ce1 C28 2.862(3) . ?
Ce1 C28 2.862(3) 2_656 ?
Ce1 C27 2.873(3) . ?
Ce1 C27 2.873(3) 2_656 ?
Ce1 C25 2.884(3) 2_656 ?
Ce1 C25 2.884(3) . ?
Ce1 C1 2.888(3) 2_656 ?
Ce1 C1 2.888(3) . ?
Ce2 N4 2.453(2) . ?
Ce2 N4 2.453(2) 2_656 ?
Ce2 N3 2.530(2) 2_656 ?
Ce2 N3 2.530(2) . ?
Ce2 C26 2.882(3) 2_656 ?
Ce2 C26 2.882(3) . ?
Ce2 C27 2.890(3) 2_656 ?
Ce2 C27 2.890(3) . ?
Ce2 C13 2.904(3) 2_656 ?
Ce2 C13 2.904(3) . ?
Ce2 C25 2.905(3) . ?
Ce2 C25 2.905(3) 2_656 ?
N1 C1 1.327(4) . ?
N1 C7 1.458(4) . ?
N2 C1 1.331(4) . ?
N2 C10 1.462(4) . ?
N3 C13 1.331(4) . ?
N3 C19 1.460(3) . ?
N4 C13 1.331(4) 2_656 ?
N4 C22 1.457(4) . ?
C1 C2 1.458(4) . ?
C2 C3 1.183(5) . ?
C3 C4 1.457(5) . ?
C4 C5 1.422(9) . ?
C4 C6 1.449(6) . ?
C5 C6 1.480(8) . ?
C7 C9 1.516(5) . ?
C7 C8 1.518(5) . ?
C10 C12 1.516(5) . ?
C10 C11 1.529(5) . ?
C13 N4 1.331(4) 2_656 ?
C13 C14 1.455(4) . ?
C14 C15 1.191(4) . ?
C15 C16 1.444(4) . ?
C16 C17 1.504(4) . ?
C16 C18 1.506(5) . ?
C17 C18 1.490(5) . ?
C19 C20 1.519(4) . ?
C19 C21 1.523(4) . ?
C22 C24 1.521(5) . ?
C22 C23 1.523(5) . ?
C25 C28 1.398(5) 2_656 ?
C25 C26 1.402(5) . ?
C26 C27 1.409(5) . ?
C27 C28 1.399(5) . ?
C28 C25 1.398(5) 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
N2 Ce1 N2 101.04(12) 2_656 . ?
N2 Ce1 N1 54.03(8) 2_656 2_656 ?
N2 Ce1 N1 91.87(8) . 2_656 ?
N2 Ce1 N1 91.87(8) 2_656 . ?
N2 Ce1 N1 54.03(8) . . ?
N1 Ce1 N1 128.28(11) 2_656 . ?
N2 Ce1 C28 101.59(9) 2_656 . ?
N2 Ce1 C28 141.01(9) . . ?
N1 Ce1 C28 127.10(9) 2_656 . ?
N1 Ce1 C28 93.89(9) . . ?
N2 Ce1 C28 141.01(9) 2_656 2_656 ?
N2 Ce1 C28 101.59(9) . 2_656 ?
N1 Ce1 C28 93.89(9) 2_656 2_656 ?
N1 Ce1 C28 127.10(9) . 2_656 ?
C28 Ce1 C28 79.45(11) . 2_656 ?
N2 Ce1 C27 124.79(9) 2_656 . ?
N2 Ce1 C27 114.37(9) . . ?
N1 Ce1 C27 151.93(8) 2_656 . ?
N1 Ce1 C27 78.00(8) . . ?
C28 Ce1 C27 28.23(9) . . ?
C28 Ce1 C27 72.05(8) 2_656 . ?
N2 Ce1 C27 114.37(9) 2_656 2_656 ?
N2 Ce1 C27 124.79(9) . 2_656 ?
N1 Ce1 C27 78.00(8) 2_656 2_656 ?
N1 Ce1 C27 151.93(8) . 2_656 ?
C28 Ce1 C27 72.05(8) . 2_656 ?
C28 Ce1 C27 28.23(9) 2_656 2_656 ?
C27 Ce1 C27 78.73(11) . 2_656 ?
N2 Ce1 C25 90.16(8) 2_656 2_656 ?
N2 Ce1 C25 167.29(9) . 2_656 ?
N1 Ce1 C25 99.63(9) 2_656 2_656 ?
N1 Ce1 C25 120.25(9) . 2_656 ?
C28 Ce1 C25 28.16(10) . 2_656 ?
C28 Ce1 C25 72.44(8) 2_656 2_656 ?
C27 Ce1 C25 53.40(9) . 2_656 ?
C27 Ce1 C25 53.61(9) 2_656 2_656 ?
N2 Ce1 C25 167.29(9) 2_656 . ?
N2 Ce1 C25 90.16(8) . . ?
N1 Ce1 C25 120.25(9) 2_656 . ?
N1 Ce1 C25 99.63(9) . . ?
C28 Ce1 C25 72.44(8) . . ?
C28 Ce1 C25 28.16(10) 2_656 . ?
C27 Ce1 C25 53.61(9) . . ?
C27 Ce1 C25 53.40(9) 2_656 . ?
C25 Ce1 C25 79.42(11) 2_656 . ?
N2 Ce1 C1 27.38(8) 2_656 2_656 ?
N2 Ce1 C1 92.81(8) . 2_656 ?
N1 Ce1 C1 27.33(8) 2_656 2_656 ?
N1 Ce1 C1 108.23(8) . 2_656 ?
C28 Ce1 C1 120.70(9) . 2_656 ?
C28 Ce1 C1 120.28(9) 2_656 2_656 ?
C27 Ce1 C1 148.16(9) . 2_656 ?
C27 Ce1 C1 99.82(8) 2_656 2_656 ?
C25 Ce1 C1 99.88(8) 2_656 2_656 ?
C25 Ce1 C1 147.49(9) . 2_656 ?
N2 Ce1 C1 92.81(8) 2_656 . ?
N2 Ce1 C1 27.38(8) . . ?
N1 Ce1 C1 108.23(8) 2_656 . ?
N1 Ce1 C1 27.33(8) . . ?
C28 Ce1 C1 120.28(9) . . ?
C28 Ce1 C1 120.70(9) 2_656 . ?
C27 Ce1 C1 99.82(8) . . ?
C27 Ce1 C1 148.16(9) 2_656 . ?
C25 Ce1 C1 147.49(9) 2_656 . ?
C25 Ce1 C1 99.88(8) . . ?
C1 Ce1 C1 97.45(11) 2_656 . ?
N4 Ce2 N4 102.87(12) . 2_656 ?
N4 Ce2 N3 54.25(8) . 2_656 ?
N4 Ce2 N3 92.22(8) 2_656 2_656 ?
N4 Ce2 N3 92.22(8) . . ?
N4 Ce2 N3 54.25(8) 2_656 . ?
N3 Ce2 N3 128.10(11) 2_656 . ?
N4 Ce2 C26 102.02(9) . 2_656 ?
N4 Ce2 C26 138.95(9) 2_656 2_656 ?
N3 Ce2 C26 128.83(9) 2_656 2_656 ?
N3 Ce2 C26 92.78(8) . 2_656 ?
N4 Ce2 C26 138.95(9) . . ?
N4 Ce2 C26 102.02(9) 2_656 . ?
N3 Ce2 C26 92.78(8) 2_656 . ?
N3 Ce2 C26 128.83(9) . . ?
C26 Ce2 C26 78.94(11) 2_656 . ?
N4 Ce2 C27 125.92(9) . 2_656 ?
N4 Ce2 C27 112.40(9) 2_656 2_656 ?
N3 Ce2 C27 152.77(8) 2_656 2_656 ?
N3 Ce2 C27 77.89(8) . 2_656 ?
C26 Ce2 C27 28.25(9) 2_656 2_656 ?
C26 Ce2 C27 71.49(8) . 2_656 ?
N4 Ce2 C27 112.40(9) . . ?
N4 Ce2 C27 125.92(9) 2_656 . ?
N3 Ce2 C27 77.89(8) 2_656 . ?
N3 Ce2 C27 152.77(8) . . ?
C26 Ce2 C27 71.49(8) 2_656 . ?
C26 Ce2 C27 28.25(9) . . ?
C27 Ce2 C27 78.18(11) 2_656 . ?
N4 Ce2 C13 27.14(8) . 2_656 ?
N4 Ce2 C13 96.41(8) 2_656 2_656 ?
N3 Ce2 C13 27.26(8) 2_656 2_656 ?
N3 Ce2 C13 110.04(8) . 2_656 ?
C26 Ce2 C13 119.74(9) 2_656 2_656 ?
C26 Ce2 C13 117.88(9) . 2_656 ?
C27 Ce2 C13 147.63(9) 2_656 2_656 ?
C27 Ce2 C13 97.14(8) . 2_656 ?
N4 Ce2 C13 96.41(8) . . ?
N4 Ce2 C13 27.14(8) 2_656 . ?
N3 Ce2 C13 110.04(8) 2_656 . ?
N3 Ce2 C13 27.26(8) . . ?
C26 Ce2 C13 117.88(9) 2_656 . ?
C26 Ce2 C13 119.74(9) . . ?
C27 Ce2 C13 97.14(8) 2_656 . ?
C27 Ce2 C13 147.63(9) . . ?
C13 Ce2 C13 102.75(11) 2_656 . ?
N4 Ce2 C25 165.31(8) . . ?
N4 Ce2 C25 89.81(8) 2_656 . ?
N3 Ce2 C25 118.74(9) 2_656 . ?
N3 Ce2 C25 101.30(8) . . ?
C26 Ce2 C25 71.87(8) 2_656 . ?
C26 Ce2 C25 28.04(9) . . ?
C27 Ce2 C25 53.02(9) 2_656 . ?
C27 Ce2 C25 53.22(9) . . ?
C13 Ce2 C25 145.28(9) 2_656 . ?
C13 Ce2 C25 98.24(8) . . ?
N4 Ce2 C25 89.81(8) . 2_656 ?
N4 Ce2 C25 165.32(8) 2_656 2_656 ?
N3 Ce2 C25 101.30(8) 2_656 2_656 ?
N3 Ce2 C25 118.74(9) . 2_656 ?
C26 Ce2 C25 28.04(9) 2_656 2_656 ?
C26 Ce2 C25 71.87(8) . 2_656 ?
C27 Ce2 C25 53.22(9) 2_656 2_656 ?
C27 Ce2 C25 53.02(9) . 2_656 ?
C13 Ce2 C25 98.24(8) 2_656 2_656 ?
C13 Ce2 C25 145.28(9) . 2_656 ?
C25 Ce2 C25 78.72(11) . 2_656 ?
C1 N1 C7 118.7(3) . . ?
C1 N1 Ce1 91.93(17) . . ?
C7 N1 Ce1 147.8(2) . . ?
C1 N2 C10 120.2(3) . . ?
C1 N2 Ce1 93.74(17) . . ?
C10 N2 Ce1 141.1(2) . . ?
C13 N3 C19 119.1(2) . . ?
C13 N3 Ce2 92.20(16) . . ?
C19 N3 Ce2 148.71(18) . . ?
C13 N4 C22 121.1(2) 2_656 . ?
C13 N4 Ce2 95.64(17) 2_656 . ?
C22 N4 Ce2 141.92(18) . . ?
N1 C1 N2 117.4(2) . . ?
N1 C1 C2 122.1(3) . . ?
N2 C1 C2 120.4(3) . . ?
N1 C1 Ce1 60.74(14) . . ?
N2 C1 Ce1 58.88(15) . . ?
C2 C1 Ce1 162.8(2) . . ?
C3 C2 C1 174.8(4) . . ?
C2 C3 C4 178.1(5) . . ?
C5 C4 C6 62.1(4) . . ?
C5 C4 C3 118.3(5) . . ?
C6 C4 C3 119.3(4) . . ?
C4 C5 C6 59.9(4) . . ?
C4 C6 C5 58.1(4) . . ?
N1 C7 C9 110.4(3) . . ?
N1 C7 C8 110.5(3) . . ?
C9 C7 C8 109.7(3) . . ?
N2 C10 C12 109.1(3) . . ?
N2 C10 C11 110.7(3) . . ?
C12 C10 C11 113.0(3) . . ?
N3 C13 N4 117.3(2) . 2_656 ?
N3 C13 C14 122.1(3) . . ?
N4 C13 C14 120.6(3) 2_656 . ?
N3 C13 Ce2 60.54(13) . . ?
N4 C13 Ce2 57.22(14) 2_656 . ?
C14 C13 Ce2 171.9(2) . . ?
C15 C14 C13 177.8(3) . . ?
C14 C15 C16 178.5(3) . . ?
C15 C16 C17 119.0(3) . . ?
C15 C16 C18 118.3(3) . . ?
C17 C16 C18 59.3(2) . . ?
C18 C17 C16 60.4(2) . . ?
C17 C18 C16 60.3(2) . . ?
N3 C19 C20 109.8(2) . . ?
N3 C19 C21 111.1(2) . . ?
C20 C19 C21 110.1(3) . . ?
N4 C22 C24 111.2(3) . . ?
N4 C22 C23 108.5(3) . . ?
C24 C22 C23 112.5(3) . . ?
C28 C25 C26 134.3(3) 2_656 . ?
C28 C25 Ce1 75.06(15) 2_656 . ?
C26 C25 Ce1 76.35(16) . . ?
C28 C25 Ce2 76.28(16) 2_656 . ?
C26 C25 Ce2 75.07(15) . . ?
Ce1 C25 Ce2 100.93(9) . . ?
C25 C26 C27 134.9(3) . . ?
C25 C26 Ce2 76.89(16) . . ?
C27 C26 Ce2 76.19(16) . . ?
C25 C26 Ce1 75.56(16) . . ?
C27 C26 Ce1 75.06(16) . . ?
Ce2 C26 Ce1 101.24(9) . . ?
C28 C27 C26 135.4(3) . . ?
C28 C27 Ce1 75.45(15) . . ?
C26 C27 Ce1 76.67(15) . . ?
C28 C27 Ce2 76.84(16) . . ?
C26 C27 Ce2 75.56(16) . . ?
Ce1 C27 Ce2 101.55(9) . . ?
C25 C28 C27 135.3(3) 2_656 . ?
C25 C28 Ce1 76.77(15) 2_656 . ?
C27 C28 Ce1 76.33(15) . . ?
C25 C28 Ce2 75.89(15) 2_656 . ?
C27 C28 Ce2 75.26(15) . . ?
Ce1 C28 Ce2 101.33(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Ce1 N1 C1 92.51(18) 2_656 . . . ?
N2 Ce1 N1 C1 -9.78(16) . . . . ?
N1 Ce1 N1 C1 48.80(16) 2_656 . . . ?
C28 Ce1 N1 C1 -165.74(17) . . . . ?
C28 Ce1 N1 C1 -86.03(19) 2_656 . . . ?
C27 Ce1 N1 C1 -142.27(19) . . . . ?
C27 Ce1 N1 C1 -107.7(2) 2_656 . . . ?
C25 Ce1 N1 C1 -176.21(16) 2_656 . . . ?
C25 Ce1 N1 C1 -92.91(18) . . . . ?
C1 Ce1 N1 C1 70.1(2) 2_656 . . . ?
N2 Ce1 N1 C7 -70.4(4) 2_656 . . . ?
N2 Ce1 N1 C7 -172.7(4) . . . . ?
N1 Ce1 N1 C7 -114.1(4) 2_656 . . . ?
C28 Ce1 N1 C7 31.3(4) . . . . ?
C28 Ce1 N1 C7 111.0(4) 2_656 . . . ?
C27 Ce1 N1 C7 54.8(4) . . . . ?
C27 Ce1 N1 C7 89.4(4) 2_656 . . . ?
C25 Ce1 N1 C7 20.9(4) 2_656 . . . ?
C25 Ce1 N1 C7 104.2(4) . . . . ?
C1 Ce1 N1 C7 -92.8(4) 2_656 . . . ?
C1 Ce1 N1 C7 -162.9(5) . . . . ?
N2 Ce1 N2 C1 -74.47(17) 2_656 . . . ?
N1 Ce1 N2 C1 -128.14(18) 2_656 . . . ?
N1 Ce1 N2 C1 9.77(16) . . . . ?
C28 Ce1 N2 C1 50.0(2) . . . . ?
C28 Ce1 N2 C1 137.50(18) 2_656 . . . ?
C27 Ce1 N2 C1 62.13(19) . . . . ?
C27 Ce1 N2 C1 155.19(16) 2_656 . . . ?
C25 Ce1 N2 C1 76.9(4) 2_656 . . . ?
C25 Ce1 N2 C1 111.58(18) . . . . ?
C1 Ce1 N2 C1 -100.81(19) 2_656 . . . ?
N2 Ce1 N2 C10 77.7(3) 2_656 . . . ?
N1 Ce1 N2 C10 24.0(3) 2_656 . . . ?
N1 Ce1 N2 C10 161.9(4) . . . . ?
C28 Ce1 N2 C10 -157.9(3) . . . . ?
C28 Ce1 N2 C10 -70.4(4) 2_656 . . . ?
C27 Ce1 N2 C10 -145.7(3) . . . . ?
C27 Ce1 N2 C10 -52.7(4) 2_656 . . . ?
C25 Ce1 N2 C10 -131.0(4) 2_656 . . . ?
C25 Ce1 N2 C10 -96.3(3) . . . . ?
C1 Ce1 N2 C10 51.3(3) 2_656 . . . ?
C1 Ce1 N2 C10 152.1(4) . . . . ?
N4 Ce2 N3 C13 99.72(16) . . . . ?
N4 Ce2 N3 C13 -4.57(15) 2_656 . . . ?
N3 Ce2 N3 C13 55.17(14) 2_656 . . . ?
C26 Ce2 N3 C13 -158.12(16) 2_656 . . . ?
C26 Ce2 N3 C13 -80.09(18) . . . . ?
C27 Ce2 N3 C13 -133.97(17) 2_656 . . . ?
C27 Ce2 N3 C13 -105.0(2) . . . . ?
C13 Ce2 N3 C13 78.76(19) 2_656 . . . ?
C25 Ce2 N3 C13 -86.06(16) . . . . ?
C25 Ce2 N3 C13 -169.28(15) 2_656 . . . ?
N4 Ce2 N3 C19 -80.0(3) . . . . ?
N4 Ce2 N3 C19 175.7(4) 2_656 . . . ?
N3 Ce2 N3 C19 -124.6(4) 2_656 . . . ?
C26 Ce2 N3 C19 22.1(4) 2_656 . . . ?
C26 Ce2 N3 C19 100.2(3) . . . . ?
C27 Ce2 N3 C19 46.3(3) 2_656 . . . ?
C27 Ce2 N3 C19 75.3(4) . . . . ?
C13 Ce2 N3 C19 -101.0(3) 2_656 . . . ?
C13 Ce2 N3 C19 -179.7(4) . . . . ?
C25 Ce2 N3 C19 94.2(3) . . . . ?
C25 Ce2 N3 C19 11.0(4) 2_656 . . . ?
N4 Ce2 N4 C13 -78.77(16) 2_656 . . 2_656 ?
N3 Ce2 N4 C13 4.59(15) 2_656 . . 2_656 ?
N3 Ce2 N4 C13 -132.55(17) . . . 2_656 ?
C26 Ce2 N4 C13 134.13(17) 2_656 . . 2_656 ?
C26 Ce2 N4 C13 47.2(2) . . . 2_656 ?
C27 Ce2 N4 C13 150.83(15) 2_656 . . 2_656 ?
C27 Ce2 N4 C13 59.39(18) . . . 2_656 ?
C13 Ce2 N4 C13 -105.53(18) . . . 2_656 ?
C25 Ce2 N4 C13 70.4(4) . . . 2_656 ?
C25 Ce2 N4 C13 108.70(18) 2_656 . . 2_656 ?
N4 Ce2 N4 C22 86.7(3) 2_656 . . . ?
N3 Ce2 N4 C22 170.1(4) 2_656 . . . ?
N3 Ce2 N4 C22 32.9(3) . . . . ?
C26 Ce2 N4 C22 -60.4(3) 2_656 . . . ?
C26 Ce2 N4 C22 -147.3(3) . . . . ?
C27 Ce2 N4 C22 -43.7(4) 2_656 . . . ?
C27 Ce2 N4 C22 -135.1(3) . . . . ?
C13 Ce2 N4 C22 165.5(4) 2_656 . . . ?
C13 Ce2 N4 C22 60.0(3) . . . . ?
C25 Ce2 N4 C22 -124.1(4) . . . . ?
C25 Ce2 N4 C22 -85.8(3) 2_656 . . . ?
C7 N1 C1 N2 -173.5(3) . . . . ?
Ce1 N1 C1 N2 16.8(3) . . . . ?
C7 N1 C1 C2 9.5(4) . . . . ?
Ce1 N1 C1 C2 -160.2(3) . . . . ?
C7 N1 C1 Ce1 169.7(3) . . . . ?
C10 N2 C1 N1 -177.2(3) . . . . ?
Ce1 N2 C1 N1 -17.1(3) . . . . ?
C10 N2 C1 C2 -0.2(4) . . . . ?
Ce1 N2 C1 C2 159.9(3) . . . . ?
C10 N2 C1 Ce1 -160.1(3) . . . . ?
N2 Ce1 C1 N1 -88.63(18) 2_656 . . . ?
N2 Ce1 C1 N1 162.6(3) . . . . ?
N1 Ce1 C1 N1 -141.55(15) 2_656 . . . ?
C28 Ce1 C1 N1 16.5(2) . . . . ?
C28 Ce1 C1 N1 112.28(18) 2_656 . . . ?
C27 Ce1 C1 N1 37.41(18) . . . . ?
C27 Ce1 C1 N1 121.8(2) 2_656 . . . ?
C25 Ce1 C1 N1 6.1(3) 2_656 . . . ?
C25 Ce1 C1 N1 91.88(18) . . . . ?
C1 Ce1 C1 N1 -115.73(19) 2_656 . . . ?
N2 Ce1 C1 N2 108.77(19) 2_656 . . . ?
N1 Ce1 C1 N2 55.85(19) 2_656 . . . ?
N1 Ce1 C1 N2 -162.6(3) . . . . ?
C28 Ce1 C1 N2 -146.07(17) . . . . ?
C28 Ce1 C1 N2 -50.3(2) 2_656 . . . ?
C27 Ce1 C1 N2 -125.19(18) . . . . ?
C27 Ce1 C1 N2 -40.8(3) 2_656 . . . ?
C25 Ce1 C1 N2 -156.51(17) 2_656 . . . ?
C25 Ce1 C1 N2 -70.72(19) . . . . ?
C1 Ce1 C1 N2 81.67(18) 2_656 . . . ?
N2 Ce1 C1 C2 15.8(8) 2_656 . . . ?
N2 Ce1 C1 C2 -93.0(8) . . . . ?
N1 Ce1 C1 C2 -37.1(8) 2_656 . . . ?
N1 Ce1 C1 C2 104.4(8) . . . . ?
C28 Ce1 C1 C2 121.0(8) . . . . ?
C28 Ce1 C1 C2 -143.3(8) 2_656 . . . ?
C27 Ce1 C1 C2 141.8(8) . . . . ?
C27 Ce1 C1 C2 -133.7(8) 2_656 . . . ?
C25 Ce1 C1 C2 110.5(8) 2_656 . . . ?
C25 Ce1 C1 C2 -163.7(8) . . . . ?
C1 Ce1 C1 C2 -11.3(8) 2_656 . . . ?
N1 C1 C2 C3 107(5) . . . . ?
N2 C1 C2 C3 -70(5) . . . . ?
Ce1 C1 C2 C3 13(6) . . . . ?
C1 C2 C3 C4 -17(22) . . . . ?
C2 C3 C4 C5 -31(18) . . . . ?
C2 C3 C4 C6 -103(18) . . . . ?
C3 C4 C5 C6 -110.1(5) . . . . ?
C3 C4 C6 C5 108.5(7) . . . . ?
C1 N1 C7 C9 -155.3(3) . . . . ?
Ce1 N1 C7 C9 5.2(5) . . . . ?
C1 N1 C7 C8 83.2(4) . . . . ?
Ce1 N1 C7 C8 -116.4(4) . . . . ?
C1 N2 C10 C12 -142.6(3) . . . . ?
Ce1 N2 C10 C12 70.1(4) . . . . ?
C1 N2 C10 C11 92.4(4) . . . . ?
Ce1 N2 C10 C11 -54.9(5) . . . . ?
C19 N3 C13 N4 -172.4(2) . . . 2_656 ?
Ce2 N3 C13 N4 7.7(2) . . . 2_656 ?
C19 N3 C13 C14 8.7(4) . . . . ?
Ce2 N3 C13 C14 -171.1(2) . . . . ?
C19 N3 C13 Ce2 179.8(3) . . . . ?
N4 Ce2 C13 N3 -82.35(16) . . . . ?
N4 Ce2 C13 N3 171.8(3) 2_656 . . . ?
N3 Ce2 C13 N3 -136.56(15) 2_656 . . . ?
C26 Ce2 C13 N3 24.90(18) 2_656 . . . ?
C26 Ce2 C13 N3 117.90(16) . . . . ?
C27 Ce2 C13 N3 45.17(17) 2_656 . . . ?
C27 Ce2 C13 N3 124.34(18) . . . . ?
C13 Ce2 C13 N3 -109.14(17) 2_656 . . . ?
C25 Ce2 C13 N3 98.70(17) . . . . ?
C25 Ce2 C13 N3 16.6(2) 2_656 . . . ?
N4 Ce2 C13 N4 105.80(18) . . . 2_656 ?
N3 Ce2 C13 N4 51.59(18) 2_656 . . 2_656 ?
N3 Ce2 C13 N4 -171.8(3) . . . 2_656 ?
C26 Ce2 C13 N4 -146.95(16) 2_656 . . 2_656 ?
C26 Ce2 C13 N4 -53.95(19) . . . 2_656 ?
C27 Ce2 C13 N4 -126.68(17) 2_656 . . 2_656 ?
C27 Ce2 C13 N4 -47.5(2) . . . 2_656 ?
C13 Ce2 C13 N4 79.02(17) 2_656 . . 2_656 ?
C25 Ce2 C13 N4 -73.15(18) . . . 2_656 ?
C25 Ce2 C13 N4 -155.21(17) 2_656 . . 2_656 ?
N4 Ce2 C13 C14 29.1(15) . . . . ?
N4 Ce2 C13 C14 -76.7(15) 2_656 . . . ?
N3 Ce2 C13 C14 -25.1(15) 2_656 . . . ?
N3 Ce2 C13 C14 111.4(15) . . . . ?
C26 Ce2 C13 C14 136.3(15) 2_656 . . . ?
C26 Ce2 C13 C14 -130.7(15) . . . . ?
C27 Ce2 C13 C14 156.6(15) 2_656 . . . ?
C27 Ce2 C13 C14 -124.2(14) . . . . ?
C13 Ce2 C13 C14 2.3(14) 2_656 . . . ?
C25 Ce2 C13 C14 -149.9(15) . . . . ?
C25 Ce2 C13 C14 128.1(14) 2_656 . . . ?
N3 C13 C14 C15 138(9) . . . . ?
N4 C13 C14 C15 -40(9) 2_656 . . . ?
Ce2 C13 C14 C15 32(10) . . . . ?
C13 C14 C15 C16 -74(19) . . . . ?
C14 C15 C16 C17 -58(15) . . . . ?
C14 C15 C16 C18 11(15) . . . . ?
C15 C16 C17 C18 107.5(4) . . . . ?
C15 C16 C18 C17 -108.7(3) . . . . ?
C13 N3 C19 C20 -159.8(3) . . . . ?
Ce2 N3 C19 C20 19.9(5) . . . . ?
C13 N3 C19 C21 78.2(3) . . . . ?
Ce2 N3 C19 C21 -102.1(4) . . . . ?
C13 N4 C22 C24 96.7(3) 2_656 . . . ?
Ce2 N4 C22 C24 -66.3(4) . . . . ?
C13 N4 C22 C23 -139.1(3) 2_656 . . . ?
Ce2 N4 C22 C23 57.8(4) . . . . ?
N2 Ce1 C25 C28 -37.1(5) 2_656 . . 2_656 ?
N2 Ce1 C25 C28 114.86(16) . . . 2_656 ?
N1 Ce1 C25 C28 22.60(18) 2_656 . . 2_656 ?
N1 Ce1 C25 C28 168.33(16) . . . 2_656 ?
C28 Ce1 C25 C28 -100.62(17) . . . 2_656 ?
C27 Ce1 C25 C28 -124.45(18) . . . 2_656 ?
C27 Ce1 C25 C28 -20.27(15) 2_656 . . 2_656 ?
C25 Ce1 C25 C28 -72.45(16) 2_656 . . 2_656 ?
C1 Ce1 C25 C28 19.4(2) 2_656 . . 2_656 ?
C1 Ce1 C25 C28 140.59(16) . . . 2_656 ?
N2 Ce1 C25 C26 106.9(4) 2_656 . . . ?
N2 Ce1 C25 C26 -101.17(17) . . . . ?
N1 Ce1 C25 C26 166.58(15) 2_656 . . . ?
N1 Ce1 C25 C26 -47.70(17) . . . . ?
C28 Ce1 C25 C26 43.36(16) . . . . ?
C28 Ce1 C25 C26 144.0(2) 2_656 . . . ?
C27 Ce1 C25 C26 19.53(15) . . . . ?
C27 Ce1 C25 C26 123.71(19) 2_656 . . . ?
C25 Ce1 C25 C26 71.52(15) 2_656 . . . ?
C1 Ce1 C25 C26 163.34(17) 2_656 . . . ?
C1 Ce1 C25 C26 -75.44(17) . . . . ?
N2 Ce1 C25 Ce2 35.4(4) 2_656 . . . ?
N2 Ce1 C25 Ce2 -172.69(10) . . . . ?
N1 Ce1 C25 Ce2 95.06(11) 2_656 . . . ?
N1 Ce1 C25 Ce2 -119.22(10) . . . . ?
C28 Ce1 C25 Ce2 -28.17(9) . . . . ?
C28 Ce1 C25 Ce2 72.45(16) 2_656 . . . ?
C27 Ce1 C25 Ce2 -51.99(10) . . . . ?
C27 Ce1 C25 Ce2 52.19(10) 2_656 . . . ?
C25 Ce1 C25 Ce2 0.0 2_656 . . . ?
C1 Ce1 C25 Ce2 91.82(15) 2_656 . . . ?
C1 Ce1 C25 Ce2 -146.96(10) . . . . ?
N4 Ce2 C25 C28 110.7(3) . . . 2_656 ?
N4 Ce2 C25 C28 -99.28(16) 2_656 . . 2_656 ?
N3 Ce2 C25 C28 168.30(15) 2_656 . . 2_656 ?
N3 Ce2 C25 C28 -45.90(16) . . . 2_656 ?
C26 Ce2 C25 C28 43.34(16) 2_656 . . 2_656 ?
C26 Ce2 C25 C28 144.0(2) . . . 2_656 ?
C27 Ce2 C25 C28 19.38(15) 2_656 . . 2_656 ?
C27 Ce2 C25 C28 123.42(18) . . . 2_656 ?
C13 Ce2 C25 C28 159.70(15) 2_656 . . 2_656 ?
C13 Ce2 C25 C28 -73.39(16) . . . 2_656 ?
C25 Ce2 C25 C28 71.50(15) 2_656 . . 2_656 ?
N4 Ce2 C25 C26 -33.3(4) . . . . ?
N4 Ce2 C25 C26 116.70(17) 2_656 . . . ?
N3 Ce2 C25 C26 24.28(19) 2_656 . . . ?
N3 Ce2 C25 C26 170.08(16) . . . . ?
C26 Ce2 C25 C26 -100.68(17) 2_656 . . . ?
C27 Ce2 C25 C26 -124.65(19) 2_656 . . . ?
C27 Ce2 C25 C26 -20.60(15) . . . . ?
C13 Ce2 C25 C26 15.7(2) 2_656 . . . ?
C13 Ce2 C25 C26 142.59(16) . . . . ?
C25 Ce2 C25 C26 -72.52(16) 2_656 . . . ?
N4 Ce2 C25 Ce1 39.2(4) . . . . ?
N4 Ce2 C25 Ce1 -170.78(10) 2_656 . . . ?
N3 Ce2 C25 Ce1 96.80(11) 2_656 . . . ?
N3 Ce2 C25 Ce1 -117.39(9) . . . . ?
C26 Ce2 C25 Ce1 -28.16(9) 2_656 . . . ?
C26 Ce2 C25 Ce1 72.52(16) . . . . ?
C27 Ce2 C25 Ce1 -52.12(10) 2_656 . . . ?
C27 Ce2 C25 Ce1 51.92(10) . . . . ?
C13 Ce2 C25 Ce1 88.20(15) 2_656 . . . ?
C13 Ce2 C25 Ce1 -144.89(10) . . . . ?
C25 Ce2 C25 Ce1 0.0 2_656 . . . ?
C28 C25 C26 C27 1.8(5) 2_656 . . . ?
Ce1 C25 C26 C27 -50.8(3) . . . . ?
Ce2 C25 C26 C27 54.7(3) . . . . ?
C28 C25 C26 Ce2 -52.9(3) 2_656 . . . ?
Ce1 C25 C26 Ce2 -105.47(7) . . . . ?
C28 C25 C26 Ce1 52.6(3) 2_656 . . . ?
Ce2 C25 C26 Ce1 105.47(7) . . . . ?
N4 Ce2 C26 C25 167.76(15) . . . . ?
N4 Ce2 C26 C25 -65.98(17) 2_656 . . . ?
N3 Ce2 C26 C25 -158.84(16) 2_656 . . . ?
N3 Ce2 C26 C25 -12.5(2) . . . . ?
C26 Ce2 C26 C25 72.10(16) 2_656 . . . ?
C27 Ce2 C26 C25 43.87(16) 2_656 . . . ?
C27 Ce2 C26 C25 143.5(3) . . . . ?
C13 Ce2 C26 C25 -169.97(15) 2_656 . . . ?
C13 Ce2 C26 C25 -43.83(18) . . . . ?
C25 Ce2 C26 C25 100.18(17) 2_656 . . . ?
N4 Ce2 C26 C27 24.3(2) . . . . ?
N4 Ce2 C26 C27 150.56(16) 2_656 . . . ?
N3 Ce2 C26 C27 57.70(16) 2_656 . . . ?
N3 Ce2 C26 C27 -155.98(15) . . . . ?
C26 Ce2 C26 C27 -71.36(16) 2_656 . . . ?
C27 Ce2 C26 C27 -99.59(17) 2_656 . . . ?
C13 Ce2 C26 C27 46.57(18) 2_656 . . . ?
C13 Ce2 C26 C27 172.72(15) . . . . ?
C25 Ce2 C26 C27 -143.5(3) . . . . ?
C25 Ce2 C26 C27 -43.28(16) 2_656 . . . ?
N4 Ce2 C26 Ce1 95.67(13) . . . . ?
N4 Ce2 C26 Ce1 -138.07(9) 2_656 . . . ?
N3 Ce2 C26 Ce1 129.06(10) 2_656 . . . ?
N3 Ce2 C26 Ce1 -84.62(12) . . . . ?
C26 Ce2 C26 Ce1 0.0 2_656 . . . ?
C27 Ce2 C26 Ce1 -28.23(9) 2_656 . . . ?
C27 Ce2 C26 Ce1 71.36(16) . . . . ?
C13 Ce2 C26 Ce1 117.93(9) 2_656 . . . ?
C13 Ce2 C26 Ce1 -115.92(10) . . . . ?
C25 Ce2 C26 Ce1 -72.10(16) . . . . ?
C25 Ce2 C26 Ce1 28.08(9) 2_656 . . . ?
N2 Ce1 C26 C25 -152.43(19) 2_656 . . . ?
N2 Ce1 C26 C25 80.20(17) . . . . ?
N1 Ce1 C26 C25 -21.7(2) 2_656 . . . ?
N1 Ce1 C26 C25 132.33(17) . . . . ?
C28 Ce1 C26 C25 -125.65(19) . . . . ?
C28 Ce1 C26 C25 -20.26(15) 2_656 . . . ?
C27 Ce1 C26 C25 -145.4(3) . . . . ?
C27 Ce1 C26 C25 -44.75(16) 2_656 . . . ?
C25 Ce1 C26 C25 -101.42(17) 2_656 . . . ?
C1 Ce1 C26 C25 -69.7(6) 2_656 . . . ?
C1 Ce1 C26 C25 107.43(17) . . . . ?
N2 Ce1 C26 C27 -7.0(3) 2_656 . . . ?
N2 Ce1 C26 C27 -134.42(17) . . . . ?
N1 Ce1 C26 C27 123.68(19) 2_656 . . . ?
N1 Ce1 C26 C27 -82.29(17) . . . . ?
C28 Ce1 C26 C27 19.74(15) . . . . ?
C28 Ce1 C26 C27 125.12(19) 2_656 . . . ?
C27 Ce1 C26 C27 100.64(17) 2_656 . . . ?
C25 Ce1 C26 C27 43.96(16) 2_656 . . . ?
C25 Ce1 C26 C27 145.4(3) . . . . ?
C1 Ce1 C26 C27 75.7(6) 2_656 . . . ?
C1 Ce1 C26 C27 -107.19(17) . . . . ?
N2 Ce1 C26 Ce2 -79.3(2) 2_656 . . . ?
N2 Ce1 C26 Ce2 153.33(10) . . . . ?
N1 Ce1 C26 Ce2 51.44(19) 2_656 . . . ?
N1 Ce1 C26 Ce2 -154.53(11) . . . . ?
C28 Ce1 C26 Ce2 -52.51(10) . . . . ?
C28 Ce1 C26 Ce2 52.88(10) 2_656 . . . ?
C27 Ce1 C26 Ce2 -72.24(16) . . . . ?
C27 Ce1 C26 Ce2 28.39(9) 2_656 . . . ?
C25 Ce1 C26 Ce2 -28.29(9) 2_656 . . . ?
C25 Ce1 C26 Ce2 73.14(16) . . . . ?
C1 Ce1 C26 Ce2 3.5(6) 2_656 . . . ?
C1 Ce1 C26 Ce2 -179.43(10) . . . . ?
C25 C26 C27 C28 -1.6(6) . . . . ?
Ce2 C26 C27 C28 53.4(3) . . . . ?
Ce1 C26 C27 C28 -52.5(3) . . . . ?
C25 C26 C27 Ce1 50.9(3) . . . . ?
Ce2 C26 C27 Ce1 105.87(7) . . . . ?
C25 C26 C27 Ce2 -54.9(3) . . . . ?
Ce1 C26 C27 Ce2 -105.87(7) . . . . ?
N2 Ce1 C27 C28 -39.00(19) 2_656 . . . ?
N2 Ce1 C27 C28 -163.79(15) . . . . ?
N1 Ce1 C27 C28 38.5(3) 2_656 . . . ?
N1 Ce1 C27 C28 -122.85(17) . . . . ?
C28 Ce1 C27 C28 101.33(17) 2_656 . . . ?
C27 Ce1 C27 C28 72.95(16) 2_656 . . . ?
C25 Ce1 C27 C28 20.22(15) 2_656 . . . ?
C25 Ce1 C27 C28 125.48(19) . . . . ?
C1 Ce1 C27 C28 -17.5(2) 2_656 . . . ?
C1 Ce1 C27 C28 -139.42(16) . . . . ?
N2 Ce1 C27 C26 176.11(15) 2_656 . . . ?
N2 Ce1 C27 C26 51.32(18) . . . . ?
N1 Ce1 C27 C26 -106.4(2) 2_656 . . . ?
N1 Ce1 C27 C26 92.25(17) . . . . ?
C28 Ce1 C27 C26 -144.9(3) . . . . ?
C28 Ce1 C27 C26 -43.56(16) 2_656 . . . ?
C27 Ce1 C27 C26 -71.94(16) 2_656 . . . ?
C25 Ce1 C27 C26 -124.67(19) 2_656 . . . ?
C25 Ce1 C27 C26 -19.41(15) . . . . ?
C1 Ce1 C27 C26 -162.44(17) 2_656 . . . ?
C1 Ce1 C27 C26 75.68(17) . . . . ?
N2 Ce1 C27 Ce2 -111.95(10) 2_656 . . . ?
N2 Ce1 C27 Ce2 123.26(10) . . . . ?
N1 Ce1 C27 Ce2 -34.5(2) 2_656 . . . ?
N1 Ce1 C27 Ce2 164.20(11) . . . . ?
C28 Ce1 C27 Ce2 -72.95(16) . . . . ?
C28 Ce1 C27 Ce2 28.38(9) 2_656 . . . ?
C27 Ce1 C27 Ce2 0.0 2_656 . . . ?
C25 Ce1 C27 Ce2 -52.73(10) 2_656 . . . ?
C25 Ce1 C27 Ce2 52.53(10) . . . . ?
C1 Ce1 C27 Ce2 -90.49(16) 2_656 . . . ?
C1 Ce1 C27 Ce2 147.63(10) . . . . ?
N4 Ce2 C27 C28 52.32(17) . . . . ?
N4 Ce2 C27 C28 178.91(15) 2_656 . . . ?
N3 Ce2 C27 C28 95.04(16) 2_656 . . . ?
N3 Ce2 C27 C28 -100.8(2) . . . . ?
C26 Ce2 C27 C28 -43.39(16) 2_656 . . . ?
C26 Ce2 C27 C28 -144.7(2) . . . . ?
C27 Ce2 C27 C28 -71.87(15) 2_656 . . . ?
C13 Ce2 C27 C28 75.64(16) 2_656 . . . ?
C13 Ce2 C27 C28 -156.54(16) . . . . ?
C25 Ce2 C27 C28 -124.22(18) . . . . ?
C25 Ce2 C27 C28 -19.32(15) 2_656 . . . ?
N4 Ce2 C27 C26 -163.00(15) . . . . ?
N4 Ce2 C27 C26 -36.41(19) 2_656 . . . ?
N3 Ce2 C27 C26 -120.29(17) 2_656 . . . ?
N3 Ce2 C27 C26 43.9(3) . . . . ?
C26 Ce2 C27 C26 101.28(17) 2_656 . . . ?
C27 Ce2 C27 C26 72.81(15) 2_656 . . . ?
C13 Ce2 C27 C26 -139.69(16) 2_656 . . . ?
C13 Ce2 C27 C26 -11.9(2) . . . . ?
C25 Ce2 C27 C26 20.46(15) . . . . ?
C25 Ce2 C27 C26 125.35(18) 2_656 . . . ?
N4 Ce2 C27 Ce1 124.19(9) . . . . ?
N4 Ce2 C27 Ce1 -109.22(11) 2_656 . . . ?
N3 Ce2 C27 Ce1 166.91(11) 2_656 . . . ?
N3 Ce2 C27 Ce1 -28.9(2) . . . . ?
C26 Ce2 C27 Ce1 28.48(9) 2_656 . . . ?
C26 Ce2 C27 Ce1 -72.81(15) . . . . ?
C27 Ce2 C27 Ce1 0.0 2_656 . . . ?
C13 Ce2 C27 Ce1 147.51(9) 2_656 . . . ?
C13 Ce2 C27 Ce1 -84.67(16) . . . . ?
C25 Ce2 C27 Ce1 -52.35(10) . . . . ?
C25 Ce2 C27 Ce1 52.55(10) 2_656 . . . ?
C26 C27 C28 C25 -1.6(6) . . . 2_656 ?
Ce1 C27 C28 C25 -54.5(3) . . . 2_656 ?
Ce2 C27 C28 C25 51.4(3) . . . 2_656 ?
C26 C27 C28 Ce1 52.9(3) . . . . ?
Ce2 C27 C28 Ce1 105.85(7) . . . . ?
C26 C27 C28 Ce2 -52.9(3) . . . . ?
Ce1 C27 C28 Ce2 -105.85(7) . . . . ?
N2 Ce1 C28 C25 -67.85(16) 2_656 . . 2_656 ?
N2 Ce1 C28 C25 167.83(15) . . . 2_656 ?
N1 Ce1 C28 C25 -14.48(19) 2_656 . . 2_656 ?
N1 Ce1 C28 C25 -160.56(16) . . . 2_656 ?
C28 Ce1 C28 C25 72.40(15) 2_656 . . 2_656 ?
C27 Ce1 C28 C25 144.0(2) . . . 2_656 ?
C27 Ce1 C28 C25 44.25(16) 2_656 . . 2_656 ?
C25 Ce1 C28 C25 100.55(17) . . . 2_656 ?
C1 Ce1 C28 C25 -46.67(18) 2_656 . . 2_656 ?
C1 Ce1 C28 C25 -168.09(15) . . . 2_656 ?
N2 Ce1 C28 C27 148.16(16) 2_656 . . . ?
N2 Ce1 C28 C27 23.8(2) . . . . ?
N1 Ce1 C28 C27 -158.47(15) 2_656 . . . ?
N1 Ce1 C28 C27 55.45(16) . . . . ?
C28 Ce1 C28 C27 -71.59(15) 2_656 . . . ?
C27 Ce1 C28 C27 -99.74(17) 2_656 . . . ?
C25 Ce1 C28 C27 -144.0(2) 2_656 . . . ?
C25 Ce1 C28 C27 -43.43(16) . . . . ?
C1 Ce1 C28 C27 169.34(15) 2_656 . . . ?
C1 Ce1 C28 C27 47.92(18) . . . . ?
N2 Ce1 C28 Ce2 -140.25(10) 2_656 . . . ?
N2 Ce1 C28 Ce2 95.43(14) . . . . ?
N1 Ce1 C28 Ce2 -86.88(12) 2_656 . . . ?
N1 Ce1 C28 Ce2 127.04(10) . . . . ?
C28 Ce1 C28 Ce2 0.0 2_656 . . . ?
C27 Ce1 C28 Ce2 71.59(15) . . . . ?
C27 Ce1 C28 Ce2 -28.15(9) 2_656 . . . ?
C25 Ce1 C28 Ce2 -72.40(15) 2_656 . . . ?
C25 Ce1 C28 Ce2 28.16(9) . . . . ?
C1 Ce1 C28 Ce2 -119.07(10) 2_656 . . . ?
C1 Ce1 C28 Ce2 119.51(10) . . . . ?
N4 Ce2 C28 C25 81.69(16) . . . 2_656 ?
N4 Ce2 C28 C25 -147.50(19) 2_656 . . 2_656 ?
N3 Ce2 C28 C25 134.62(16) 2_656 . . 2_656 ?
N3 Ce2 C28 C25 -18.4(2) . . . 2_656 ?
C26 Ce2 C28 C25 -20.26(15) 2_656 . . 2_656 ?
C26 Ce2 C28 C25 -125.55(18) . . . 2_656 ?
C27 Ce2 C28 C25 -44.95(16) 2_656 . . 2_656 ?
C27 Ce2 C28 C25 -145.5(2) . . . 2_656 ?
C13 Ce2 C28 C25 108.49(16) 2_656 . . 2_656 ?
C13 Ce2 C28 C25 -65.8(5) . . . 2_656 ?
C25 Ce2 C28 C25 -101.19(17) . . . 2_656 ?
N4 Ce2 C28 C27 -132.80(16) . . . . ?
N4 Ce2 C28 C27 -2.0(3) 2_656 . . . ?
N3 Ce2 C28 C27 -79.87(16) 2_656 . . . ?
N3 Ce2 C28 C27 127.12(18) . . . . ?
C26 Ce2 C28 C27 125.25(18) 2_656 . . . ?
C26 Ce2 C28 C27 19.96(15) . . . . ?
C27 Ce2 C28 C27 100.55(17) 2_656 . . . ?
C13 Ce2 C28 C27 -106.01(16) 2_656 . . . ?
C13 Ce2 C28 C27 79.7(4) . . . . ?
C25 Ce2 C28 C27 44.32(16) . . . . ?
C25 Ce2 C28 C27 145.5(2) 2_656 . . . ?
N4 Ce2 C28 Ce1 154.78(10) . . . . ?
N4 Ce2 C28 Ce1 -74.4(2) 2_656 . . . ?
N3 Ce2 C28 Ce1 -152.29(11) 2_656 . . . ?
N3 Ce2 C28 Ce1 54.70(18) . . . . ?
C26 Ce2 C28 Ce1 52.83(10) 2_656 . . . ?
C26 Ce2 C28 Ce1 -52.46(10) . . . . ?
C27 Ce2 C28 Ce1 28.13(9) 2_656 . . . ?
C27 Ce2 C28 Ce1 -72.42(15) . . . . ?
C13 Ce2 C28 Ce1 -178.43(10) 2_656 . . . ?
C13 Ce2 C28 Ce1 7.3(5) . . . . ?
C25 Ce2 C28 Ce1 -28.10(9) . . . . ?
C25 Ce2 C28 Ce1 73.09(16) 2_656 . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        29.23
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         1.347
_refine_diff_density_min         -1.886
_refine_diff_density_rms         0.093

####################################################################### 
# 
# 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_ip448
_database_code_depnum_ccdc_archive 'CCDC 1057412'
_audit_update_record             
;
2015-04-01 deposited with the CCDC.
2016-06-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C80 H116 Ce2 N8'
_chemical_formula_weight         1470.05

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'
Ce Ce -0.2486 2.6331 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   Pn

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

_cell_length_a                   21.084(4)
_cell_length_b                   13.758(3)
_cell_length_c                   26.383(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.71(3)
_cell_angle_gamma                90.00
_cell_volume                     7465(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    143(2)
_cell_measurement_reflns_used    121417
_cell_measurement_theta_min      2.03
_cell_measurement_theta_max      29.62

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.33
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.308
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3072
_exptl_absorpt_coefficient_mu    1.251
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_correction_T_min  0.4186
_exptl_absorpt_correction_T_max  0.4303
_exptl_crystal_size_rad          0.4800
_exptl_absorpt_process_details   
;
Interpolation using  Int.Tab. Vol. C (1992) p. 523,Tab. 6.3.3.3
for values of muR in the range 0-2.5, and Int.Tab. Vol.II (1959)
p.302; Table 5.3.6 B for muR in the range 2.6-10.0.
The interpolation procedure of C.W.Dwiggins Jr (Acta Cryst.(1975)
A31,146-148) is used with some modification.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      143(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            42721
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_av_sigmaI/netI    0.0356
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         2.04
_diffrn_reflns_theta_max         25.68
_reflns_number_total             23075
_reflns_number_gt                20494
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0403P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.530(7)
_refine_ls_number_reflns         23075
_refine_ls_number_parameters     1622
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0268
_refine_ls_wR_factor_ref         0.0624
_refine_ls_wR_factor_gt          0.0604
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_restrained_S_all      0.972
_refine_ls_shift/su_max          0.020
_refine_ls_shift/su_mean         0.001

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ce1 Ce 0.04404(3) 0.938246(17) 0.13429(2) 0.01747(7) Uani 1 1 d . . .
Ce2 Ce -0.04266(3) 0.941664(16) -0.03653(2) 0.01609(7) Uani 1 1 d . . .
Ce3 Ce 0.28822(3) 1.591111(16) -0.11296(2) 0.01465(7) Uani 1 1 d . . .
Ce4 Ce 0.19968(3) 1.589268(16) -0.28497(2) 0.01513(7) Uani 1 1 d . . .
N1 N 0.1290(2) 1.0662(3) 0.16223(14) 0.0242(9) Uani 1 1 d . . .
N2 N 0.15988(19) 0.9095(3) 0.17425(14) 0.0258(8) Uani 1 1 d . . .
N3 N -0.0019(2) 0.8281(3) 0.19406(14) 0.0266(8) Uani 1 1 d . . .
N4 N -0.01706(19) 0.9914(3) 0.19772(14) 0.0254(8) Uani 1 1 d . . .
N5 N -0.06203(19) 0.7883(3) -0.08733(14) 0.0218(8) Uani 1 1 d . . .
N6 N 0.02434(18) 0.8785(3) -0.09799(13) 0.0186(8) Uani 1 1 d . . .
N7 N -0.15507(18) 1.0064(3) -0.07010(14) 0.0227(9) Uani 1 1 d . . .
N8 N -0.0709(2) 1.1035(3) -0.07883(16) 0.0222(9) Uani 1 1 d . . .
N11 N 0.30968(18) 1.7480(3) -0.06613(13) 0.0196(8) Uani 1 1 d . . .
N12 N 0.22436(18) 1.6588(3) -0.05182(13) 0.0209(8) Uani 1 1 d . . .
N13 N 0.40196(17) 1.5290(3) -0.07690(13) 0.0191(8) Uani 1 1 d . . .
N14 N 0.31707(19) 1.4359(3) -0.06429(15) 0.0184(8) Uani 1 1 d . . .
N15 N 0.25070(18) 1.7014(3) -0.34046(13) 0.0214(8) Uani 1 1 d . . .
N16 N 0.26602(19) 1.5379(3) -0.34690(14) 0.0212(8) Uani 1 1 d . . .
N17 N 0.1096(2) 1.4703(3) -0.31706(14) 0.0254(8) Uani 1 1 d . . .
N18 N 0.08626(18) 1.6309(3) -0.32917(13) 0.0229(8) Uani 1 1 d . . .
C1 C 0.1744(2) 1.0040(4) 0.17953(16) 0.0224(10) Uani 1 1 d . . .
C2 C 0.2414(2) 1.0324(3) 0.20349(16) 0.0251(9) Uani 1 1 d . . .
C3 C 0.2966(2) 1.0488(3) 0.22339(16) 0.0268(10) Uani 1 1 d . . .
C4 C 0.3640(2) 1.0606(3) 0.24796(16) 0.0253(9) Uani 1 1 d . . .
H4 H 0.3856 1.1220 0.2404 0.030 Uiso 1 1 calc R . .
C5 C 0.3875(2) 1.0169(4) 0.30149(16) 0.0358(11) Uani 1 1 d . . .
H5A H 0.4220 1.0518 0.3263 0.043 Uiso 1 1 calc R . .
H5B H 0.3550 0.9837 0.3174 0.043 Uiso 1 1 calc R . .
C6 C 0.4053(2) 0.9701(4) 0.25604(16) 0.0321(10) Uani 1 1 d . . .
H6A H 0.3840 0.9077 0.2438 0.039 Uiso 1 1 calc R . .
H6B H 0.4510 0.9758 0.2526 0.039 Uiso 1 1 calc R . .
C7 C 0.1395(3) 1.1723(4) 0.16218(17) 0.0395(13) Uani 1 1 d . . .
H7 H 0.0959 1.1975 0.1441 0.047 Uiso 1 1 calc R . .
C8 C 0.1821(3) 1.2073(4) 0.1293(2) 0.0468(13) Uani 1 1 d . . .
H8A H 0.1704 1.1763 0.0946 0.056 Uiso 1 1 calc R . .
H8B H 0.2279 1.1911 0.1452 0.056 Uiso 1 1 calc R . .
C9 C 0.1734(4) 1.3204(4) 0.1241(2) 0.0681(19) Uani 1 1 d . . .
H9A H 0.2017 1.3463 0.1018 0.082 Uiso 1 1 calc R . .
H9B H 0.1278 1.3358 0.1073 0.082 Uiso 1 1 calc R . .
C10 C 0.1913(3) 1.3688(5) 0.1779(2) 0.0633(17) Uani 1 1 d . . .
H10A H 0.2374 1.3556 0.1941 0.076 Uiso 1 1 calc R . .
H10B H 0.1855 1.4400 0.1742 0.076 Uiso 1 1 calc R . .
C11 C 0.1489(3) 1.3299(4) 0.2118(2) 0.0509(15) Uani 1 1 d . . .
H11A H 0.1037 1.3519 0.1979 0.061 Uiso 1 1 calc R . .
H11B H 0.1634 1.3575 0.2471 0.061 Uiso 1 1 calc R . .
C12 C 0.1494(2) 1.2185(3) 0.21582(16) 0.0282(10) Uani 1 1 d . . .
H12A H 0.1914 1.1967 0.2376 0.034 Uiso 1 1 calc R . .
H12B H 0.1143 1.1971 0.2328 0.034 Uiso 1 1 calc R . .
C13 C 0.2069(2) 0.8336(3) 0.19393(15) 0.0229(9) Uani 1 1 d . . .
H13 H 0.2509 0.8578 0.1914 0.028 Uiso 1 1 calc R . .
C14 C 0.2093(3) 0.8103(4) 0.25090(17) 0.0406(12) Uani 1 1 d . . .
H14A H 0.2231 0.8689 0.2722 0.049 Uiso 1 1 calc R . .
H14B H 0.1653 0.7922 0.2550 0.049 Uiso 1 1 calc R . .
C15 C 0.2559(3) 0.7281(4) 0.27014(18) 0.0536(15) Uani 1 1 d . . .
H15A H 0.3008 0.7497 0.2705 0.064 Uiso 1 1 calc R . .
H15B H 0.2537 0.7119 0.3063 0.064 Uiso 1 1 calc R . .
C16 C 0.2412(3) 0.6383(4) 0.2370(2) 0.0495(14) Uani 1 1 d . . .
H16A H 0.1982 0.6122 0.2394 0.059 Uiso 1 1 calc R . .
H16B H 0.2744 0.5878 0.2500 0.059 Uiso 1 1 calc R . .
C17 C 0.2412(3) 0.6621(4) 0.18072(19) 0.0410(12) Uani 1 1 d . . .
H17A H 0.2289 0.6037 0.1589 0.049 Uiso 1 1 calc R . .
H17B H 0.2854 0.6821 0.1779 0.049 Uiso 1 1 calc R . .
C18 C 0.1929(2) 0.7445(3) 0.16141(17) 0.0340(11) Uani 1 1 d . . .
H18A H 0.1945 0.7607 0.1251 0.041 Uiso 1 1 calc R . .
H18B H 0.1484 0.7218 0.1615 0.041 Uiso 1 1 calc R . .
C19 C -0.0307(2) 0.9030(3) 0.21185(15) 0.0210(10) Uani 1 1 d . . .
C20 C -0.0778(2) 0.8887(3) 0.24466(15) 0.0242(9) Uani 1 1 d . . .
C21 C -0.1178(2) 0.8835(3) 0.26944(16) 0.0267(9) Uani 1 1 d . . .
C22 C -0.1672(2) 0.8769(4) 0.29930(17) 0.0324(10) Uani 1 1 d . . .
H22 H -0.1803 0.9396 0.3132 0.039 Uiso 1 1 calc R . .
C23 C -0.2195(2) 0.8032(4) 0.28434(19) 0.0365(11) Uani 1 1 d . . .
H23A H -0.2638 0.8210 0.2880 0.044 Uiso 1 1 calc R . .
H23B H -0.2180 0.7604 0.2545 0.044 Uiso 1 1 calc R . .
C24 C -0.1696(3) 0.7904(5) 0.3316(2) 0.0583(16) Uani 1 1 d . . .
H24A H -0.1366 0.7392 0.3317 0.070 Uiso 1 1 calc R . .
H24B H -0.1823 0.7998 0.3652 0.070 Uiso 1 1 calc R . .
C25 C -0.0135(2) 0.7307(3) 0.21069(16) 0.0246(9) Uani 1 1 d . . .
H25 H -0.0608 0.7246 0.2105 0.030 Uiso 1 1 calc R . .
C26 C 0.0029(3) 0.6563(3) 0.17324(19) 0.0386(12) Uani 1 1 d . . .
H26A H 0.0488 0.6649 0.1708 0.046 Uiso 1 1 calc R . .
H26B H -0.0248 0.6677 0.1383 0.046 Uiso 1 1 calc R . .
C27 C -0.0069(3) 0.5523(4) 0.1899(2) 0.0487(14) Uani 1 1 d . . .
H27A H 0.0071 0.5063 0.1657 0.058 Uiso 1 1 calc R . .
H27B H -0.0537 0.5410 0.1884 0.058 Uiso 1 1 calc R . .
C28 C 0.0323(3) 0.5338(4) 0.2455(3) 0.0559(16) Uani 1 1 d . . .
H28A H 0.0236 0.4671 0.2564 0.067 Uiso 1 1 calc R . .
H28B H 0.0794 0.5391 0.2463 0.067 Uiso 1 1 calc R . .
C29 C 0.0141(3) 0.6064(4) 0.2826(2) 0.0472(14) Uani 1 1 d . . .
H29A H 0.0404 0.5944 0.3180 0.057 Uiso 1 1 calc R . .
H29B H -0.0323 0.5979 0.2835 0.057 Uiso 1 1 calc R . .
C30 C 0.0254(3) 0.7107(4) 0.26623(19) 0.0375(12) Uani 1 1 d . . .
H30A H 0.0723 0.7207 0.2678 0.045 Uiso 1 1 calc R . .
H30B H 0.0119 0.7570 0.2906 0.045 Uiso 1 1 calc R . .
C31 C -0.0420(2) 1.0764(3) 0.21932(15) 0.0192(8) Uani 1 1 d . . .
H31 H -0.0880 1.0635 0.2216 0.023 Uiso 1 1 calc R . .
C32 C -0.0012(2) 1.0949(3) 0.27425(15) 0.0244(9) Uani 1 1 d . . .
H32A H -0.0051 1.0386 0.2967 0.029 Uiso 1 1 calc R . .
H32B H 0.0451 1.1017 0.2728 0.029 Uiso 1 1 calc R . .
C33 C -0.0235(2) 1.1867(3) 0.29768(15) 0.0255(9) Uani 1 1 d . . .
H33A H 0.0043 1.1979 0.3327 0.031 Uiso 1 1 calc R . .
H33B H -0.0688 1.1783 0.3014 0.031 Uiso 1 1 calc R . .
C34 C -0.0194(2) 1.2749(3) 0.26289(16) 0.0274(10) Uani 1 1 d . . .
H34A H -0.0351 1.3336 0.2780 0.033 Uiso 1 1 calc R . .
H34B H 0.0265 1.2861 0.2611 0.033 Uiso 1 1 calc R . .
C35 C -0.0600(2) 1.2580(3) 0.20878(15) 0.0253(9) Uani 1 1 d . . .
H35A H -0.0545 1.3136 0.1863 0.030 Uiso 1 1 calc R . .
H35B H -0.1065 1.2546 0.2103 0.030 Uiso 1 1 calc R . .
C36 C -0.0410(2) 1.1645(3) 0.18503(15) 0.0225(9) Uani 1 1 d . . .
H36A H -0.0712 1.1534 0.1511 0.027 Uiso 1 1 calc R . .
H36B H 0.0033 1.1720 0.1786 0.027 Uiso 1 1 calc R . .
C37 C -0.0146(2) 0.8033(3) -0.11231(14) 0.0199(9) Uani 1 1 d . . .
C38 C -0.0091(2) 0.7413(3) -0.15552(15) 0.0217(9) Uani 1 1 d . . .
C39 C -0.0143(2) 0.6893(3) -0.19273(15) 0.0240(9) Uani 1 1 d . . .
C40 C -0.0261(2) 0.6281(3) -0.23731(15) 0.0298(10) Uani 1 1 d . . .
H40 H 0.0094 0.6237 -0.2568 0.036 Uiso 1 1 calc R . .
C41 C -0.0670(3) 0.5386(4) -0.2371(2) 0.0637(19) Uani 1 1 d . . .
H41A H -0.0558 0.4803 -0.2553 0.076 Uiso 1 1 calc R . .
H41B H -0.0834 0.5250 -0.2055 0.076 Uiso 1 1 calc R . .
C42 C -0.0945(3) 0.6226(4) -0.2691(2) 0.0488(14) Uani 1 1 d . . .
H42A H -0.1281 0.6615 -0.2574 0.059 Uiso 1 1 calc R . .
H42B H -0.1005 0.6168 -0.3072 0.059 Uiso 1 1 calc R . .
C43 C -0.1074(2) 0.7080(3) -0.10323(15) 0.0224(9) Uani 1 1 d . . .
H43 H -0.0838 0.6556 -0.1179 0.027 Uiso 1 1 calc R . .
C44 C -0.1651(2) 0.7397(3) -0.14552(16) 0.0297(10) Uani 1 1 d . . .
H44A H -0.1493 0.7604 -0.1765 0.036 Uiso 1 1 calc R . .
H44B H -0.1862 0.7964 -0.1330 0.036 Uiso 1 1 calc R . .
C45 C -0.2153(2) 0.6591(4) -0.16104(18) 0.0397(12) Uani 1 1 d . . .
H45A H -0.2537 0.6853 -0.1858 0.048 Uiso 1 1 calc R . .
H45B H -0.1965 0.6066 -0.1788 0.048 Uiso 1 1 calc R . .
C46 C -0.2363(2) 0.6176(4) -0.11401(19) 0.0382(11) Uani 1 1 d . . .
H46A H -0.2603 0.6679 -0.0990 0.046 Uiso 1 1 calc R . .
H46B H -0.2660 0.5621 -0.1250 0.046 Uiso 1 1 calc R . .
C47 C -0.1783(2) 0.5837(3) -0.07292(18) 0.0331(11) Uani 1 1 d . . .
H47A H -0.1566 0.5292 -0.0868 0.040 Uiso 1 1 calc R . .
H47B H -0.1935 0.5597 -0.0422 0.040 Uiso 1 1 calc R . .
C48 C -0.1299(2) 0.6659(3) -0.05655(15) 0.0263(10) Uani 1 1 d . . .
H48A H -0.0918 0.6413 -0.0309 0.032 Uiso 1 1 calc R . .
H48B H -0.1504 0.7179 -0.0397 0.032 Uiso 1 1 calc R . .
C49 C 0.07958(19) 0.8926(3) -0.12213(14) 0.0189(8) Uani 1 1 d . . .
H49 H 0.0957 0.8270 -0.1299 0.023 Uiso 1 1 calc R . .
C50 C 0.06147(19) 0.9488(3) -0.17287(15) 0.0220(9) Uani 1 1 d . . .
H50A H 0.0436 1.0129 -0.1663 0.026 Uiso 1 1 calc R . .
H50B H 0.0273 0.9129 -0.1975 0.026 Uiso 1 1 calc R . .
C51 C 0.1204(2) 0.9635(3) -0.19721(15) 0.0269(10) Uani 1 1 d . . .
H51A H 0.1351 0.8997 -0.2076 0.032 Uiso 1 1 calc R . .
H51B H 0.1075 1.0039 -0.2289 0.032 Uiso 1 1 calc R . .
C52 C 0.1763(2) 1.0128(3) -0.15955(16) 0.0285(10) Uani 1 1 d . . .
H52A H 0.1637 1.0801 -0.1529 0.034 Uiso 1 1 calc R . .
H52B H 0.2147 1.0162 -0.1754 0.034 Uiso 1 1 calc R . .
C53 C 0.1944(2) 0.9575(3) -0.10807(16) 0.0254(9) Uani 1 1 d . . .
H53A H 0.2283 0.9939 -0.0834 0.031 Uiso 1 1 calc R . .
H53B H 0.2124 0.8930 -0.1140 0.031 Uiso 1 1 calc R . .
C54 C 0.13429(19) 0.9441(3) -0.08451(14) 0.0226(9) Uani 1 1 d . . .
H54A H 0.1465 0.9056 -0.0521 0.027 Uiso 1 1 calc R . .
H54B H 0.1189 1.0085 -0.0756 0.027 Uiso 1 1 calc R . .
C55 C -0.1337(2) 1.0950(3) -0.07789(15) 0.0208(9) Uani 1 1 d . . .
C56 C -0.1752(2) 1.1792(3) -0.08328(16) 0.0223(10) Uani 1 1 d . . .
C57 C -0.2086(2) 1.2506(3) -0.08582(16) 0.0265(10) Uani 1 1 d . . .
C58 C -0.2473(2) 1.3360(4) -0.0892(2) 0.0400(12) Uani 1 1 d . . .
H58 H -0.2271 1.3963 -0.0998 0.048 Uiso 1 1 calc R . .
C59 C -0.2892(3) 1.3506(6) -0.0514(3) 0.072(2) Uani 1 1 d . . .
H59A H -0.2902 1.2984 -0.0258 0.087 Uiso 1 1 calc R . .
H59B H -0.2931 1.4174 -0.0384 0.087 Uiso 1 1 calc R . .
C60 C -0.3190(2) 1.3306(4) -0.1059(3) 0.0581(16) Uani 1 1 d . . .
H60A H -0.3416 1.3847 -0.1272 0.070 Uiso 1 1 calc R . .
H60B H -0.3387 1.2658 -0.1145 0.070 Uiso 1 1 calc R . .
C61 C -0.0482(2) 1.1996(3) -0.09134(15) 0.0230(9) Uani 1 1 d . . .
H61 H -0.0753 1.2503 -0.0790 0.028 Uiso 1 1 calc R . .
C62 C -0.0564(2) 1.2104(3) -0.15004(16) 0.0340(11) Uani 1 1 d . . .
H62A H -0.1026 1.2006 -0.1673 0.041 Uiso 1 1 calc R . .
H62B H -0.0305 1.1598 -0.1629 0.041 Uiso 1 1 calc R . .
C63 C -0.0343(3) 1.3110(4) -0.1641(2) 0.0453(14) Uani 1 1 d . . .
H63A H -0.0382 1.3149 -0.2021 0.054 Uiso 1 1 calc R . .
H63B H -0.0630 1.3612 -0.1543 0.054 Uiso 1 1 calc R . .
C64 C 0.0352(2) 1.3310(4) -0.13661(19) 0.0422(12) Uani 1 1 d . . .
H64A H 0.0646 1.2863 -0.1498 0.051 Uiso 1 1 calc R . .
H64B H 0.0469 1.3985 -0.1439 0.051 Uiso 1 1 calc R . .
C65 C 0.0437(2) 1.3174(3) -0.07890(18) 0.0321(11) Uani 1 1 d . . .
H65A H 0.0177 1.3669 -0.0654 0.039 Uiso 1 1 calc R . .
H65B H 0.0899 1.3277 -0.0619 0.039 Uiso 1 1 calc R . .
C66 C 0.02300(19) 1.2168(3) -0.06484(17) 0.0248(9) Uani 1 1 d . . .
H66A H 0.0286 1.2115 -0.0267 0.030 Uiso 1 1 calc R . .
H66B H 0.0506 1.1668 -0.0763 0.030 Uiso 1 1 calc R . .
C67 C -0.22528(18) 0.9967(3) -0.07186(15) 0.0204(9) Uani 1 1 d . . .
H67 H -0.2396 1.0547 -0.0544 0.025 Uiso 1 1 calc R . .
C68 C -0.2390(2) 0.9058(3) -0.04306(17) 0.0274(9) Uani 1 1 d . . .
H68A H -0.2209 0.8485 -0.0576 0.033 Uiso 1 1 calc R . .
H68B H -0.2169 0.9114 -0.0060 0.033 Uiso 1 1 calc R . .
C69 C -0.3115(2) 0.8905(4) -0.04716(19) 0.0366(11) Uani 1 1 d . . .
H69A H -0.3283 0.9431 -0.0282 0.044 Uiso 1 1 calc R . .
H69B H -0.3182 0.8280 -0.0305 0.044 Uiso 1 1 calc R . .
C70 C -0.3495(2) 0.8894(4) -0.1035(2) 0.0436(13) Uani 1 1 d . . .
H70A H -0.3367 0.8320 -0.1216 0.052 Uiso 1 1 calc R . .
H70B H -0.3966 0.8844 -0.1045 0.052 Uiso 1 1 calc R . .
C71 C -0.3363(2) 0.9816(4) -0.13140(19) 0.0401(12) Uani 1 1 d . . .
H71A H -0.3532 1.0385 -0.1156 0.048 Uiso 1 1 calc R . .
H71B H -0.3593 0.9782 -0.1684 0.048 Uiso 1 1 calc R . .
C72 C -0.2636(2) 0.9942(3) -0.12781(17) 0.0298(10) Uani 1 1 d . . .
H72A H -0.2476 0.9399 -0.1462 0.036 Uiso 1 1 calc R . .
H72B H -0.2561 1.0554 -0.1453 0.036 Uiso 1 1 calc R . .
C73 C 0.0513(2) 1.0404(3) 0.04053(16) 0.0266(10) Uani 1 1 d . . .
H73 H 0.0776 1.0936 0.0347 0.032 Uiso 1 1 calc R . .
C74 C -0.0077(2) 1.0709(3) 0.05141(18) 0.0294(10) Uani 1 1 d . . .
H74 H -0.0107 1.1395 0.0541 0.035 Uiso 1 1 calc R . .
C75 C -0.0634(2) 1.0222(4) 0.05916(14) 0.0253(10) Uani 1 1 d . . .
H75 H -0.0966 1.0660 0.0636 0.030 Uiso 1 1 calc R . .
C76 C -0.0819(2) 0.9254(3) 0.06198(15) 0.0234(10) Uani 1 1 d . . .
H76 H -0.1235 0.9195 0.0700 0.028 Uiso 1 1 calc R . .
C77 C -0.0544(2) 0.8352(4) 0.05598(14) 0.0282(11) Uani 1 1 d . . .
H77 H -0.0826 0.7823 0.0584 0.034 Uiso 1 1 calc R . .
C78 C 0.0065(2) 0.8055(3) 0.04705(16) 0.0278(10) Uani 1 1 d . . .
H78 H 0.0111 0.7368 0.0473 0.033 Uiso 1 1 calc R . .
C79 C 0.0616(2) 0.8536(3) 0.03792(15) 0.0278(11) Uani 1 1 d . . .
H79 H 0.0936 0.8095 0.0314 0.033 Uiso 1 1 calc R . .
C80 C 0.0812(2) 0.9507(4) 0.03607(16) 0.0288(11) Uani 1 1 d . . .
H80 H 0.1240 0.9572 0.0306 0.035 Uiso 1 1 calc R . .
C101 C 0.26322(18) 1.7358(3) -0.03961(13) 0.0189(8) Uani 1 1 d . . .
C102 C 0.25804(19) 1.8022(3) 0.00231(14) 0.0191(8) Uani 1 1 d . . .
C103 C 0.2607(2) 1.8538(3) 0.03831(15) 0.0223(9) Uani 1 1 d . . .
C104 C 0.2708(2) 1.9179(3) 0.08246(14) 0.0246(9) Uani 1 1 d . . .
H104 H 0.2350 1.9219 0.1017 0.030 Uiso 1 1 calc R . .
C105 C 0.3105(3) 2.0082(3) 0.08148(19) 0.0439(13) Uani 1 1 d . . .
H10C H 0.3269 2.0212 0.0497 0.053 Uiso 1 1 calc R . .
H10D H 0.2984 2.0668 0.0989 0.053 Uiso 1 1 calc R . .
C106 C 0.3394(2) 1.9265(4) 0.11444(17) 0.0372(11) Uani 1 1 d . . .
H10E H 0.3453 1.9339 0.1525 0.045 Uiso 1 1 calc R . .
H10F H 0.3737 1.8883 0.1033 0.045 Uiso 1 1 calc R . .
C107 C 0.35252(19) 1.8325(3) -0.05508(14) 0.0199(8) Uani 1 1 d . . .
H107 H 0.3278 1.8871 -0.0435 0.024 Uiso 1 1 calc R . .
C108 C 0.4124(2) 1.8109(3) -0.01199(15) 0.0259(9) Uani 1 1 d . . .
H10G H 0.3986 1.7968 0.0208 0.031 Uiso 1 1 calc R . .
H10H H 0.4348 1.7526 -0.0214 0.031 Uiso 1 1 calc R . .
C109 C 0.4595(2) 1.8967(3) -0.00364(17) 0.0316(11) Uani 1 1 d . . .
H10I H 0.4383 1.9535 0.0087 0.038 Uiso 1 1 calc R . .
H10J H 0.4984 1.8798 0.0235 0.038 Uiso 1 1 calc R . .
C110 C 0.4801(2) 1.9231(3) -0.05354(19) 0.0332(11) Uani 1 1 d . . .
H11C H 0.5035 1.8678 -0.0650 0.040 Uiso 1 1 calc R . .
H11D H 0.5100 1.9795 -0.0473 0.040 Uiso 1 1 calc R . .
C111 C 0.4201(2) 1.9482(3) -0.09586(17) 0.0285(10) Uani 1 1 d . . .
H11E H 0.4336 1.9638 -0.1285 0.034 Uiso 1 1 calc R . .
H11F H 0.3984 2.0062 -0.0853 0.034 Uiso 1 1 calc R . .
C112 C 0.3721(2) 1.8626(3) -0.10514(15) 0.0230(9) Uani 1 1 d . . .
H11G H 0.3327 1.8815 -0.1313 0.028 Uiso 1 1 calc R . .
H11H H 0.3923 1.8066 -0.1191 0.028 Uiso 1 1 calc R . .
C113 C 0.17011(19) 1.6472(3) -0.02576(14) 0.0188(8) Uani 1 1 d . . .
H113 H 0.1554 1.7134 -0.0176 0.023 Uiso 1 1 calc R . .
C114 C 0.1893(2) 1.5902(3) 0.02518(15) 0.0259(9) Uani 1 1 d . . .
H11I H 0.2059 1.5254 0.0181 0.031 Uiso 1 1 calc R . .
H11J H 0.2246 1.6250 0.0493 0.031 Uiso 1 1 calc R . .
C115 C 0.1312(2) 1.5780(3) 0.05060(15) 0.0263(9) Uani 1 1 d . . .
H11K H 0.1443 1.5380 0.0824 0.032 Uiso 1 1 calc R . .
H11L H 0.1177 1.6426 0.0610 0.032 Uiso 1 1 calc R . .
C116 C 0.0744(2) 1.5305(3) 0.01461(16) 0.0308(10) Uani 1 1 d . . .
H11M H 0.0367 1.5293 0.0313 0.037 Uiso 1 1 calc R . .
H11N H 0.0857 1.4625 0.0081 0.037 Uiso 1 1 calc R . .
C117 C 0.0560(2) 1.5845(3) -0.03672(16) 0.0280(10) Uani 1 1 d . . .
H11O H 0.0386 1.6493 -0.0307 0.034 Uiso 1 1 calc R . .
H11P H 0.0212 1.5482 -0.0606 0.034 Uiso 1 1 calc R . .
C118 C 0.11358(19) 1.5971(3) -0.06209(15) 0.0213(8) Uani 1 1 d . . .
H11Q H 0.1001 1.6361 -0.0942 0.026 Uiso 1 1 calc R . .
H11R H 0.1278 1.5326 -0.0719 0.026 Uiso 1 1 calc R . .
C119 C 0.37928(19) 1.4436(3) -0.06549(13) 0.0205(8) Uani 1 1 d . . .
C120 C 0.4205(2) 1.3574(3) -0.05829(16) 0.0212(9) Uani 1 1 d . . .
C121 C 0.4535(2) 1.2855(3) -0.05602(16) 0.0256(10) Uani 1 1 d . . .
C122 C 0.4910(2) 1.1989(3) -0.05503(19) 0.0337(11) Uani 1 1 d . . .
H122 H 0.4689 1.1372 -0.0487 0.040 Uiso 1 1 calc R . .
C123 C 0.5377(3) 1.1910(4) -0.0905(2) 0.0521(14) Uani 1 1 d . . .
H12C H 0.5425 1.1267 -0.1061 0.063 Uiso 1 1 calc R . .
H12D H 0.5413 1.2473 -0.1130 0.063 Uiso 1 1 calc R . .
C124 C 0.5632(3) 1.2022(4) -0.0341(2) 0.0503(14) Uani 1 1 d . . .
H12E H 0.5828 1.2655 -0.0214 0.060 Uiso 1 1 calc R . .
H12F H 0.5840 1.1450 -0.0145 0.060 Uiso 1 1 calc R . .
C125 C 0.4725(2) 1.5326(3) -0.07578(16) 0.0259(9) Uani 1 1 d . . .
H125 H 0.4850 1.4701 -0.0903 0.031 Uiso 1 1 calc R . .
C126 C 0.5124(2) 1.5434(4) -0.02102(17) 0.0335(11) Uani 1 1 d . . .
H12G H 0.5033 1.4883 0.0004 0.040 Uiso 1 1 calc R . .
H12H H 0.5000 1.6042 -0.0056 0.040 Uiso 1 1 calc R . .
C127 C 0.5852(2) 1.5458(5) -0.0207(2) 0.0535(16) Uani 1 1 d . . .
H12I H 0.6103 1.5567 0.0152 0.064 Uiso 1 1 calc R . .
H12J H 0.5985 1.4824 -0.0327 0.064 Uiso 1 1 calc R . .
C128 C 0.6001(2) 1.6249(4) -0.0553(2) 0.0499(14) Uani 1 1 d . . .
H12K H 0.5919 1.6888 -0.0407 0.060 Uiso 1 1 calc R . .
H12L H 0.6466 1.6218 -0.0565 0.060 Uiso 1 1 calc R . .
C129 C 0.5597(2) 1.6163(4) -0.10903(19) 0.0370(11) Uani 1 1 d . . .
H12M H 0.5715 1.5559 -0.1251 0.044 Uiso 1 1 calc R . .
H12N H 0.5691 1.6719 -0.1301 0.044 Uiso 1 1 calc R . .
C130 C 0.4872(2) 1.6148(4) -0.10938(19) 0.0342(10) Uani 1 1 d . . .
H13A H 0.4744 1.6774 -0.0961 0.041 Uiso 1 1 calc R . .
H13B H 0.4618 1.6062 -0.1454 0.041 Uiso 1 1 calc R . .
C131 C 0.2944(2) 1.3427(3) -0.04831(15) 0.0229(9) Uani 1 1 d . . .
H131 H 0.3227 1.2906 -0.0578 0.027 Uiso 1 1 calc R . .
C132 C 0.3011(2) 1.3391(3) 0.01048(15) 0.0282(10) Uani 1 1 d . . .
H13C H 0.2736 1.3901 0.0211 0.034 Uiso 1 1 calc R . .
H13D H 0.3468 1.3518 0.0282 0.034 Uiso 1 1 calc R . .
C133 C 0.2803(2) 1.2393(4) 0.02672(17) 0.0367(11) Uani 1 1 d . . .
H13E H 0.3108 1.1893 0.0194 0.044 Uiso 1 1 calc R . .
H13F H 0.2825 1.2393 0.0646 0.044 Uiso 1 1 calc R . .
C134 C 0.2117(2) 1.2137(3) -0.00195(18) 0.0334(11) Uani 1 1 d . . .
H13G H 0.1805 1.2582 0.0092 0.040 Uiso 1 1 calc R . .
H13H H 0.2014 1.1466 0.0071 0.040 Uiso 1 1 calc R . .
C135 C 0.2042(2) 1.2215(3) -0.06045(18) 0.0299(10) Uani 1 1 d . . .
H13I H 0.1582 1.2095 -0.0778 0.036 Uiso 1 1 calc R . .
H13J H 0.2310 1.1708 -0.0722 0.036 Uiso 1 1 calc R . .
C136 C 0.2247(2) 1.3213(3) -0.07644(15) 0.0252(9) Uani 1 1 d . . .
H13K H 0.2213 1.3228 -0.1145 0.030 Uiso 1 1 calc R . .
H13L H 0.1954 1.3718 -0.0677 0.030 Uiso 1 1 calc R . .
C137 C 0.27750(19) 1.6283(3) -0.36087(14) 0.0211(8) Uani 1 1 d . . .
C138 C 0.3190(2) 1.6459(3) -0.39723(15) 0.0250(9) Uani 1 1 d . . .
C139 C 0.3532(2) 1.6601(3) -0.42662(14) 0.0244(9) Uani 1 1 d . . .
C140 C 0.3948(2) 1.6746(3) -0.46233(16) 0.0297(10) Uani 1 1 d . . .
H140 H 0.3855 1.7328 -0.4855 0.036 Uiso 1 1 calc R . .
C141 C 0.4207(3) 1.5855(4) -0.4847(2) 0.0451(13) Uani 1 1 d . . .
H14C H 0.4074 1.5210 -0.4739 0.054 Uiso 1 1 calc R . .
H14D H 0.4257 1.5889 -0.5211 0.054 Uiso 1 1 calc R . .
C142 C 0.4656(2) 1.6440(4) -0.4455(2) 0.0380(12) Uani 1 1 d . . .
H14E H 0.4985 1.6840 -0.4574 0.046 Uiso 1 1 calc R . .
H14F H 0.4802 1.6161 -0.4102 0.046 Uiso 1 1 calc R . .
C143 C 0.2611(2) 1.8004(3) -0.35687(15) 0.0227(9) Uani 1 1 d . . .
H143 H 0.3061 1.8047 -0.3632 0.027 Uiso 1 1 calc R . .
C144 C 0.2128(2) 1.8237(3) -0.40777(17) 0.0327(11) Uani 1 1 d . . .
H14G H 0.2194 1.7777 -0.4350 0.039 Uiso 1 1 calc R . .
H14H H 0.1679 1.8147 -0.4029 0.039 Uiso 1 1 calc R . .
C145 C 0.2206(3) 1.9271(4) -0.4257(2) 0.0533(15) Uani 1 1 d . . .
H14I H 0.2638 1.9345 -0.4342 0.064 Uiso 1 1 calc R . .
H14J H 0.1870 1.9406 -0.4576 0.064 Uiso 1 1 calc R . .
C146 C 0.2140(3) 1.9993(4) -0.3837(2) 0.0526(15) Uani 1 1 d . . .
H14K H 0.2216 2.0658 -0.3954 0.063 Uiso 1 1 calc R . .
H14L H 0.1692 1.9965 -0.3779 0.063 Uiso 1 1 calc R . .
C147 C 0.2618(3) 1.9780(4) -0.3333(2) 0.0423(12) Uani 1 1 d . . .
H14M H 0.2543 2.0236 -0.3062 0.051 Uiso 1 1 calc R . .
H14N H 0.3066 1.9883 -0.3380 0.051 Uiso 1 1 calc R . .
C148 C 0.2549(2) 1.8742(3) -0.31553(17) 0.0305(10) Uani 1 1 d . . .
H14O H 0.2888 1.8613 -0.2838 0.037 Uiso 1 1 calc R . .
H14P H 0.2120 1.8665 -0.3066 0.037 Uiso 1 1 calc R . .
C149 C 0.2909(2) 1.4553(3) -0.37158(14) 0.0208(9) Uani 1 1 d . . .
H149 H 0.3361 1.4703 -0.3753 0.025 Uiso 1 1 calc R . .
C150 C 0.2927(2) 1.3658(3) -0.33679(15) 0.0238(9) Uani 1 1 d . . .
H15C H 0.3241 1.3772 -0.3035 0.029 Uiso 1 1 calc R . .
H15D H 0.2492 1.3563 -0.3290 0.029 Uiso 1 1 calc R . .
C151 C 0.3119(2) 1.2737(3) -0.36192(16) 0.0313(10) Uani 1 1 d . . .
H15E H 0.3579 1.2789 -0.3646 0.038 Uiso 1 1 calc R . .
H15F H 0.3081 1.2172 -0.3396 0.038 Uiso 1 1 calc R . .
C152 C 0.2693(2) 1.2573(3) -0.41573(16) 0.0292(10) Uani 1 1 d . . .
H15G H 0.2850 1.1997 -0.4318 0.035 Uiso 1 1 calc R . .
H15H H 0.2240 1.2444 -0.4128 0.035 Uiso 1 1 calc R . .
C153 C 0.2706(2) 1.3455(3) -0.44982(15) 0.0293(10) Uani 1 1 d . . .
H15I H 0.2418 1.3342 -0.4844 0.035 Uiso 1 1 calc R . .
H15J H 0.3153 1.3557 -0.4547 0.035 Uiso 1 1 calc R . .
C154 C 0.2481(2) 1.4359(3) -0.42546(15) 0.0267(10) Uani 1 1 d . . .
H15K H 0.2024 1.4271 -0.4225 0.032 Uiso 1 1 calc R . .
H15L H 0.2498 1.4927 -0.4482 0.032 Uiso 1 1 calc R . .
C155 C 0.0660(2) 1.5387(3) -0.33420(14) 0.0214(9) Uani 1 1 d . . .
C156 C -0.0017(2) 1.5158(3) -0.35705(16) 0.0295(10) Uani 1 1 d . . .
C157 C -0.0566(2) 1.4930(3) -0.37579(16) 0.0298(10) Uani 1 1 d . . .
C158 C -0.1203(2) 1.4578(3) -0.39875(17) 0.0322(10) Uani 1 1 d . . .
H158 H -0.1577 1.4961 -0.3915 0.039 Uiso 1 1 calc R . .
C159 C -0.1299(2) 1.3504(3) -0.40462(18) 0.0340(11) Uani 1 1 d . . .
H15M H -0.0918 1.3080 -0.3920 0.041 Uiso 1 1 calc R . .
H15N H -0.1720 1.3232 -0.4005 0.041 Uiso 1 1 calc R . .
C160 C -0.1300(2) 1.4120(4) -0.45091(17) 0.0376(11) Uani 1 1 d . . .
H16C H -0.1721 1.4228 -0.4756 0.045 Uiso 1 1 calc R . .
H16D H -0.0920 1.4077 -0.4671 0.045 Uiso 1 1 calc R . .
C161 C 0.0381(2) 1.7080(3) -0.34587(15) 0.0229(9) Uani 1 1 d . . .
H161 H -0.0042 1.6861 -0.3385 0.027 Uiso 1 1 calc R . .
C162 C 0.0270(2) 1.7314(3) -0.40330(15) 0.0294(10) Uani 1 1 d . . .
H16E H 0.0111 1.6727 -0.4239 0.035 Uiso 1 1 calc R . .
H16F H 0.0685 1.7515 -0.4118 0.035 Uiso 1 1 calc R . .
C163 C -0.0232(2) 1.8136(4) -0.41728(16) 0.0375(11) Uani 1 1 d . . .
H16G H -0.0294 1.8293 -0.4547 0.045 Uiso 1 1 calc R . .
H16H H -0.0655 1.7915 -0.4110 0.045 Uiso 1 1 calc R . .
C164 C -0.0012(3) 1.9047(3) -0.38504(19) 0.0406(12) Uani 1 1 d . . .
H16I H 0.0390 1.9304 -0.3937 0.049 Uiso 1 1 calc R . .
H16J H -0.0352 1.9554 -0.3936 0.049 Uiso 1 1 calc R . .
C165 C 0.0113(2) 1.8816(4) -0.32785(18) 0.0358(11) Uani 1 1 d . . .
H16K H -0.0301 1.8630 -0.3187 0.043 Uiso 1 1 calc R . .
H16L H 0.0280 1.9404 -0.3076 0.043 Uiso 1 1 calc R . .
C166 C 0.0601(2) 1.7996(3) -0.31324(16) 0.0285(10) Uani 1 1 d . . .
H16M H 0.0652 1.7840 -0.2759 0.034 Uiso 1 1 calc R . .
H16N H 0.1030 1.8209 -0.3188 0.034 Uiso 1 1 calc R . .
C167 C 0.0897(3) 1.3676(3) -0.32020(19) 0.0503(15) Uani 1 1 d . . .
H167 H 0.0418 1.3718 -0.3224 0.060 Uiso 1 1 calc R . .
C168 C 0.0930(3) 1.3194(4) -0.37016(19) 0.0409(12) Uani 1 1 d . . .
H16O H 0.1373 1.3282 -0.3764 0.049 Uiso 1 1 calc R . .
H16P H 0.0621 1.3520 -0.3988 0.049 Uiso 1 1 calc R . .
C169 C 0.0776(4) 1.2126(5) -0.3716(3) 0.072(2) Uani 1 1 d . . .
H16Q H 0.0298 1.2050 -0.3787 0.087 Uiso 1 1 calc R . .
H16R H 0.0927 1.1833 -0.4012 0.087 Uiso 1 1 calc R . .
C170 C 0.1046(4) 1.1601(5) -0.3270(3) 0.085(2) Uani 1 1 d . . .
H17C H 0.1525 1.1582 -0.3223 0.102 Uiso 1 1 calc R . .
H17D H 0.0882 1.0925 -0.3307 0.102 Uiso 1 1 calc R . .
C171 C 0.0861(5) 1.2091(5) -0.2775(3) 0.100(3) Uani 1 1 d . . .
H17E H 0.0383 1.2089 -0.2811 0.120 Uiso 1 1 calc R . .
H17F H 0.1064 1.1731 -0.2456 0.120 Uiso 1 1 calc R . .
C172 C 0.1115(5) 1.3124(5) -0.2751(2) 0.085(3) Uani 1 1 d . . .
H17G H 0.0988 1.3460 -0.2457 0.102 Uiso 1 1 calc R . .
H17H H 0.1596 1.3101 -0.2676 0.102 Uiso 1 1 calc R . .
C173 C 0.3245(2) 1.5913(4) -0.21299(16) 0.0303(11) Uani 1 1 d . . .
H173 H 0.3663 1.5918 -0.2210 0.036 Uiso 1 1 calc R . .
C174 C 0.2994(2) 1.6853(4) -0.20869(15) 0.0301(11) Uani 1 1 d . . .
H174 H 0.3294 1.7348 -0.2126 0.036 Uiso 1 1 calc R . .
C175 C 0.2415(3) 1.7233(3) -0.20008(16) 0.0283(9) Uani 1 1 d . . .
H175 H 0.2407 1.7923 -0.2009 0.034 Uiso 1 1 calc R . .
C176 C 0.1831(2) 1.6829(3) -0.19026(13) 0.0241(10) Uani 1 1 d . . .
H176 H 0.1524 1.7308 -0.1856 0.029 Uiso 1 1 calc R . .
C177 C 0.1616(2) 1.5893(3) -0.18612(14) 0.0226(10) Uani 1 1 d . . .
H177 H 0.1186 1.5883 -0.1804 0.027 Uiso 1 1 calc R . .
C178 C 0.1862(2) 1.4959(4) -0.18809(16) 0.0267(12) Uani 1 1 d . . .
H178 H 0.1576 1.4471 -0.1809 0.032 Uiso 1 1 calc R . .
C179 C 0.2443(2) 1.4571(3) -0.19836(15) 0.0252(9) Uani 1 1 d . . .
H179 H 0.2445 1.3880 -0.1988 0.030 Uiso 1 1 calc R . .
C180 C 0.3008(2) 1.4969(3) -0.20789(17) 0.0279(12) Uani 1 1 d . . .
H180 H 0.3313 1.4484 -0.2120 0.033 Uiso 1 1 calc R . .


_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
Ce1 N4 2.438(4) . ?
Ce1 N2 2.470(4) . ?
Ce1 N1 2.504(4) . ?
Ce1 N3 2.528(4) . ?
Ce1 C80 2.872(4) . ?
Ce1 C74 2.873(4) . ?
Ce1 C73 2.879(4) . ?
Ce1 C19 2.886(4) . ?
Ce1 C1 2.890(5) . ?
Ce1 C79 2.894(4) . ?
Ce1 C75 2.901(4) . ?
Ce1 C78 2.908(4) . ?
Ce2 N5 2.484(3) . ?
Ce2 N8 2.502(4) . ?
Ce2 N7 2.504(4) . ?
Ce2 N6 2.527(4) . ?
Ce2 C73 2.852(4) . ?
Ce2 C79 2.874(4) . ?
Ce2 C75 2.877(4) . ?
Ce2 C80 2.881(4) . ?
Ce2 C74 2.887(4) . ?
Ce2 C55 2.899(4) . ?
Ce2 C77 2.904(4) . ?
Ce2 C76 2.904(4) . ?
Ce3 N11 2.479(3) . ?
Ce3 N14 2.497(3) . ?
Ce3 N12 2.498(3) . ?
Ce3 N13 2.526(4) . ?
Ce3 C180 2.883(4) . ?
Ce3 C119 2.883(4) . ?
Ce3 C174 2.894(4) . ?
Ce3 C178 2.897(4) . ?
Ce3 C179 2.901(4) . ?
Ce3 C101 2.904(4) . ?
Ce3 C173 2.905(4) . ?
Ce3 C175 2.926(4) . ?
Ce4 N16 2.476(4) . ?
Ce4 N18 2.486(4) . ?
Ce4 N17 2.510(4) . ?
Ce4 N15 2.525(3) . ?
Ce4 C175 2.885(4) . ?
Ce4 C173 2.887(5) . ?
Ce4 C174 2.890(4) . ?
Ce4 C177 2.893(4) . ?
Ce4 C180 2.896(5) . ?
Ce4 C176 2.900(4) . ?
Ce4 C137 2.905(4) . ?
Ce4 C179 2.910(4) . ?
N1 C1 1.290(6) . ?
N1 C7 1.476(6) . ?
N2 C1 1.336(6) . ?
N2 C13 1.456(6) . ?
N3 C19 1.333(6) . ?
N3 C25 1.448(5) . ?
N4 C19 1.323(6) . ?
N4 C31 1.450(5) . ?
N5 C37 1.329(5) . ?
N5 C43 1.461(5) . ?
N6 C37 1.324(5) . ?
N6 C49 1.458(5) . ?
N7 C55 1.331(6) . ?
N7 C67 1.477(5) . ?
N8 C55 1.334(6) . ?
N8 C61 1.469(5) . ?
N11 C101 1.334(4) . ?
N11 C107 1.462(4) . ?
N12 C101 1.335(4) . ?
N12 C113 1.467(4) . ?
N13 C119 1.328(4) . ?
N13 C125 1.481(4) . ?
N14 C119 1.323(4) . ?
N14 C131 1.463(4) . ?
N15 C137 1.324(4) . ?
N15 C143 1.460(4) . ?
N16 C137 1.335(4) . ?
N16 C149 1.463(4) . ?
N17 C155 1.323(4) . ?
N17 C167 1.471(5) . ?
N18 C155 1.336(4) . ?
N18 C161 1.468(4) . ?
C1 C2 1.468(6) . ?
C2 C3 1.188(6) . ?
C3 C4 1.437(6) . ?
C4 C6 1.507(6) . ?
C4 C5 1.514(6) . ?
C5 C6 1.481(6) . ?
C7 C8 1.462(7) . ?
C7 C12 1.524(6) . ?
C8 C9 1.569(8) . ?
C9 C10 1.538(8) . ?
C10 C11 1.496(8) . ?
C11 C12 1.536(7) . ?
C13 C18 1.488(6) . ?
C13 C14 1.527(6) . ?
C14 C15 1.511(7) . ?
C15 C16 1.505(8) . ?
C16 C17 1.521(7) . ?
C17 C18 1.533(7) . ?
C19 C20 1.466(6) . ?
C20 C21 1.178(6) . ?
C21 C22 1.442(6) . ?
C22 C24 1.470(7) . ?
C22 C23 1.485(6) . ?
C23 C24 1.454(7) . ?
C25 C26 1.515(6) . ?
C25 C30 1.538(6) . ?
C26 C27 1.525(7) . ?
C27 C28 1.538(8) . ?
C28 C29 1.507(8) . ?
C29 C30 1.534(7) . ?
C31 C36 1.515(6) . ?
C31 C32 1.535(5) . ?
C32 C33 1.525(6) . ?
C33 C34 1.536(6) . ?
C34 C35 1.513(6) . ?
C35 C36 1.524(6) . ?
C37 C38 1.449(6) . ?
C38 C39 1.200(6) . ?
C39 C40 1.423(6) . ?
C40 C42 1.501(7) . ?
C40 C41 1.503(7) . ?
C41 C42 1.472(9) . ?
C43 C44 1.523(6) . ?
C43 C48 1.528(5) . ?
C44 C45 1.524(6) . ?
C45 C46 1.518(7) . ?
C46 C47 1.518(7) . ?
C47 C48 1.521(6) . ?
C49 C50 1.520(5) . ?
C49 C54 1.521(6) . ?
C50 C51 1.533(6) . ?
C51 C52 1.523(6) . ?
C52 C53 1.530(6) . ?
C53 C54 1.541(6) . ?
C55 C56 1.440(6) . ?
C56 C57 1.201(6) . ?
C57 C58 1.423(7) . ?
C58 C60 1.479(7) . ?
C58 C59 1.484(8) . ?
C59 C60 1.462(9) . ?
C61 C62 1.527(5) . ?
C61 C66 1.529(6) . ?
C62 C63 1.531(7) . ?
C63 C64 1.510(7) . ?
C64 C65 1.505(6) . ?
C65 C66 1.521(6) . ?
C67 C72 1.519(5) . ?
C67 C68 1.524(6) . ?
C68 C69 1.522(6) . ?
C69 C70 1.527(7) . ?
C70 C71 1.522(7) . ?
C71 C72 1.525(6) . ?
C73 C80 1.402(7) . ?
C73 C74 1.401(7) . ?
C74 C75 1.406(7) . ?
C75 C76 1.394(7) . ?
C76 C77 1.393(7) . ?
C77 C78 1.416(7) . ?
C78 C79 1.405(7) . ?
C79 C80 1.402(7) . ?
C101 C102 1.457(5) . ?
C102 C103 1.177(5) . ?
C103 C104 1.439(5) . ?
C104 C105 1.501(6) . ?
C104 C106 1.510(6) . ?
C105 C106 1.468(7) . ?
C107 C112 1.525(5) . ?
C107 C108 1.531(5) . ?
C108 C109 1.526(6) . ?
C109 C110 1.519(7) . ?
C110 C111 1.531(6) . ?
C111 C112 1.537(6) . ?
C113 C118 1.521(5) . ?
C113 C114 1.531(5) . ?
C114 C115 1.531(6) . ?
C115 C116 1.503(6) . ?
C116 C117 1.518(6) . ?
C117 C118 1.520(6) . ?
C119 C120 1.458(6) . ?
C120 C121 1.203(6) . ?
C121 C122 1.427(6) . ?
C122 C124 1.501(7) . ?
C122 C123 1.503(7) . ?
C123 C124 1.475(7) . ?
C125 C130 1.511(6) . ?
C125 C126 1.511(6) . ?
C126 C127 1.533(6) . ?
C127 C128 1.497(8) . ?
C128 C129 1.489(7) . ?
C129 C130 1.527(6) . ?
C131 C136 1.522(6) . ?
C131 C132 1.527(5) . ?
C132 C133 1.530(6) . ?
C133 C134 1.518(7) . ?
C134 C135 1.520(6) . ?
C135 C136 1.528(6) . ?
C137 C138 1.454(6) . ?
C138 C139 1.186(6) . ?
C139 C140 1.435(6) . ?
C140 C141 1.514(7) . ?
C140 C142 1.521(7) . ?
C141 C142 1.479(7) . ?
C143 C148 1.517(6) . ?
C143 C144 1.530(6) . ?
C144 C145 1.520(7) . ?
C145 C146 1.518(8) . ?
C146 C147 1.511(7) . ?
C147 C148 1.519(7) . ?
C149 C154 1.530(5) . ?
C149 C150 1.532(5) . ?
C150 C151 1.525(6) . ?
C151 C152 1.521(6) . ?
C152 C153 1.515(6) . ?
C153 C154 1.522(6) . ?
C155 C156 1.457(6) . ?
C156 C157 1.195(6) . ?
C157 C158 1.432(6) . ?
C158 C160 1.486(6) . ?
C158 C159 1.494(6) . ?
C159 C160 1.486(6) . ?
C161 C162 1.516(5) . ?
C161 C166 1.539(6) . ?
C162 C163 1.538(6) . ?
C163 C164 1.529(7) . ?
C164 C165 1.507(6) . ?
C165 C166 1.519(6) . ?
C167 C172 1.401(8) . ?
C167 C168 1.491(6) . ?
C168 C169 1.502(8) . ?
C169 C170 1.391(10) . ?
C170 C171 1.591(11) . ?
C171 C172 1.516(8) . ?
C173 C180 1.408(7) . ?
C173 C174 1.411(7) . ?
C174 C175 1.393(7) . ?
C175 C176 1.425(7) . ?
C176 C177 1.377(6) . ?
C177 C178 1.392(7) . ?
C178 C179 1.415(6) . ?
C179 C180 1.385(7) . ?

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
N4 Ce1 N2 112.17(13) . . ?
N4 Ce1 N1 92.22(13) . . ?
N2 Ce1 N1 53.88(12) . . ?
N4 Ce1 N3 54.48(12) . . ?
N2 Ce1 N3 96.68(13) . . ?
N1 Ce1 N3 125.81(12) . . ?
N4 Ce1 C80 153.05(13) . . ?
N2 Ce1 C80 87.38(13) . . ?
N1 Ce1 C80 84.50(13) . . ?
N3 Ce1 C80 144.73(13) . . ?
N4 Ce1 C74 99.36(13) . . ?
N2 Ce1 C74 126.90(13) . . ?
N1 Ce1 C74 84.51(13) . . ?
N3 Ce1 C74 136.26(14) . . ?
C80 Ce1 C74 53.72(14) . . ?
N4 Ce1 C73 125.41(13) . . ?
N2 Ce1 C73 102.13(13) . . ?
N1 Ce1 C73 74.90(12) . . ?
N3 Ce1 C73 158.26(13) . . ?
C80 Ce1 C73 28.21(14) . . ?
C74 Ce1 C73 28.19(14) . . ?
N4 Ce1 C19 27.15(12) . . ?
N2 Ce1 C19 108.29(12) . . ?
N1 Ce1 C19 112.12(12) . . ?
N3 Ce1 C19 27.50(12) . . ?
C80 Ce1 C19 161.74(13) . . ?
C74 Ce1 C19 118.14(13) . . ?
C73 Ce1 C19 146.33(13) . . ?
N4 Ce1 C1 102.74(13) . . ?
N2 Ce1 C1 27.45(13) . . ?
N1 Ce1 C1 26.44(13) . . ?
N3 Ce1 C1 112.95(13) . . ?
C80 Ce1 C1 86.02(12) . . ?
C74 Ce1 C1 106.40(14) . . ?
C73 Ce1 C1 88.64(13) . . ?
C19 Ce1 C1 112.21(12) . . ?
N4 Ce1 C79 155.95(13) . . ?
N2 Ce1 C79 90.27(13) . . ?
N1 Ce1 C79 108.65(13) . . ?
N3 Ce1 C79 116.60(13) . . ?
C80 Ce1 C79 28.14(13) . . ?
C74 Ce1 C79 71.78(13) . . ?
C73 Ce1 C79 53.13(13) . . ?
C19 Ce1 C79 138.69(13) . . ?
C1 Ce1 C79 101.23(13) . . ?
N4 Ce1 C75 84.17(12) . . ?
N2 Ce1 C75 154.87(13) . . ?
N1 Ce1 C75 108.76(14) . . ?
N3 Ce1 C75 108.43(13) . . ?
C80 Ce1 C75 71.74(13) . . ?
C74 Ce1 C75 28.19(14) . . ?
C73 Ce1 C75 53.12(13) . . ?
C19 Ce1 C75 94.88(12) . . ?
C1 Ce1 C75 133.31(14) . . ?
C79 Ce1 C75 77.98(12) . . ?
N4 Ce1 C78 129.69(14) . . ?
N2 Ce1 C78 108.00(13) . . ?
N1 Ce1 C78 136.64(13) . . ?
N3 Ce1 C78 92.43(12) . . ?
C80 Ce1 C78 53.44(13) . . ?
C74 Ce1 C78 78.75(12) . . ?
C73 Ce1 C78 71.54(12) . . ?
C19 Ce1 C78 111.07(13) . . ?
C1 Ce1 C78 126.31(13) . . ?
C79 Ce1 C78 28.02(13) . . ?
C75 Ce1 C78 70.95(13) . . ?
N5 Ce2 N8 121.32(13) . . ?
N5 Ce2 N7 94.64(13) . . ?
N8 Ce2 N7 53.97(13) . . ?
N5 Ce2 N6 53.90(12) . . ?
N8 Ce2 N6 97.55(13) . . ?
N7 Ce2 N6 120.96(12) . . ?
N5 Ce2 C73 142.67(13) . . ?
N8 Ce2 C73 87.36(13) . . ?
N7 Ce2 C73 122.52(13) . . ?
N6 Ce2 C73 102.85(13) . . ?
N5 Ce2 C79 91.21(13) . . ?
N8 Ce2 C79 138.67(13) . . ?
N7 Ce2 C79 156.05(12) . . ?
N6 Ce2 C79 80.91(12) . . ?
C73 Ce2 C79 53.59(13) . . ?
N5 Ce2 C75 139.61(13) . . ?
N8 Ce2 C75 88.94(14) . . ?
N7 Ce2 C75 81.87(12) . . ?
N6 Ce2 C75 155.46(12) . . ?
C73 Ce2 C75 53.62(13) . . ?
C79 Ce2 C75 78.69(12) . . ?
N5 Ce2 C80 114.39(13) . . ?
N8 Ce2 C80 110.49(13) . . ?
N7 Ce2 C80 150.26(13) . . ?
N6 Ce2 C80 83.62(12) . . ?
C73 Ce2 C80 28.30(14) . . ?
C79 Ce2 C80 28.20(13) . . ?
C75 Ce2 C80 71.96(13) . . ?
N5 Ce2 C74 159.90(12) . . ?
N8 Ce2 C74 78.71(13) . . ?
N7 Ce2 C74 96.87(13) . . ?
N6 Ce2 C74 130.32(13) . . ?
C73 Ce2 C74 28.24(14) . . ?
C79 Ce2 C74 71.85(13) . . ?
C75 Ce2 C74 28.24(14) . . ?
C80 Ce2 C74 53.49(14) . . ?
N5 Ce2 C55 113.47(12) . . ?
N8 Ce2 C55 27.36(12) . . ?
N7 Ce2 C55 27.28(12) . . ?
N6 Ce2 C55 115.20(11) . . ?
C73 Ce2 C55 102.72(12) . . ?
C79 Ce2 C55 155.18(12) . . ?
C75 Ce2 C55 80.45(12) . . ?
C80 Ce2 C55 130.30(13) . . ?
C74 Ce2 C55 83.41(12) . . ?
N5 Ce2 C77 89.48(13) . . ?
N8 Ce2 C77 140.14(14) . . ?
N7 Ce2 C77 103.15(13) . . ?
N6 Ce2 C77 121.96(13) . . ?
C73 Ce2 C77 79.38(12) . . ?
C79 Ce2 C77 53.63(13) . . ?
C75 Ce2 C77 53.06(14) . . ?
C80 Ce2 C77 72.27(12) . . ?
C74 Ce2 C77 71.89(13) . . ?
C55 Ce2 C77 120.77(13) . . ?
N5 Ce2 C76 111.84(12) . . ?
N8 Ce2 C76 112.39(13) . . ?
N7 Ce2 C76 84.86(12) . . ?
N6 Ce2 C76 149.00(13) . . ?
C73 Ce2 C76 71.86(13) . . ?
C79 Ce2 C76 71.43(12) . . ?
C75 Ce2 C76 27.90(13) . . ?
C80 Ce2 C76 78.64(12) . . ?
C74 Ce2 C76 53.20(13) . . ?
C55 Ce2 C76 95.60(12) . . ?
C77 Ce2 C76 27.75(13) . . ?
N11 Ce3 N14 119.42(13) . . ?
N11 Ce3 N12 54.46(12) . . ?
N14 Ce3 N12 95.25(12) . . ?
N11 Ce3 N13 93.02(12) . . ?
N14 Ce3 N13 54.09(13) . . ?
N12 Ce3 N13 119.00(12) . . ?
N11 Ce3 C180 141.50(10) . . ?
N14 Ce3 C180 90.22(9) . . ?
N12 Ce3 C180 153.42(10) . . ?
N13 Ce3 C180 85.06(10) . . ?
N11 Ce3 C119 111.42(9) . . ?
N14 Ce3 C119 27.28(9) . . ?
N12 Ce3 C119 112.57(9) . . ?
N13 Ce3 C119 27.41(9) . . ?
C180 Ce3 C119 83.18(11) . . ?
N11 Ce3 C174 90.23(10) . . ?
N14 Ce3 C174 140.73(11) . . ?
N12 Ce3 C174 123.78(11) . . ?
N13 Ce3 C174 103.12(10) . . ?
C180 Ce3 C174 53.30(14) . . ?
C119 Ce3 C174 121.31(13) . . ?
N11 Ce3 C178 139.59(10) . . ?
N14 Ce3 C178 91.45(10) . . ?
N12 Ce3 C178 100.72(9) . . ?
N13 Ce3 C178 127.22(10) . . ?
C180 Ce3 C178 53.06(13) . . ?
C119 Ce3 C178 107.57(13) . . ?
C174 Ce3 C178 78.25(12) . . ?
N11 Ce3 C179 158.86(8) . . ?
N14 Ce3 C179 81.71(9) . . ?
N12 Ce3 C179 127.81(9) . . ?
N13 Ce3 C179 101.07(9) . . ?
C180 Ce3 C179 27.71(13) . . ?
C119 Ce3 C179 87.61(11) . . ?
C174 Ce3 C179 71.36(12) . . ?
C178 Ce3 C179 28.24(13) . . ?
N11 Ce3 C101 27.25(8) . . ?
N14 Ce3 C101 107.63(9) . . ?
N12 Ce3 C101 27.30(8) . . ?
N13 Ce3 C101 106.10(9) . . ?
C180 Ce3 C101 162.11(11) . . ?
C119 Ce3 C101 113.21(10) . . ?
C174 Ce3 C101 109.65(13) . . ?
C178 Ce3 C101 123.34(12) . . ?
C179 Ce3 C101 151.56(12) . . ?
N11 Ce3 C173 113.34(10) . . ?
N14 Ce3 C173 112.64(10) . . ?
N12 Ce3 C173 150.89(10) . . ?
N13 Ce3 C173 85.65(10) . . ?
C180 Ce3 C173 28.16(13) . . ?
C119 Ce3 C173 96.41(12) . . ?
C174 Ce3 C173 28.17(14) . . ?
C178 Ce3 C173 71.54(12) . . ?
C179 Ce3 C173 53.01(13) . . ?
C101 Ce3 C173 136.67(12) . . ?
N11 Ce3 C175 80.99(8) . . ?
N14 Ce3 C175 159.58(9) . . ?
N12 Ce3 C175 98.02(9) . . ?
N13 Ce3 C175 129.32(10) . . ?
C180 Ce3 C175 71.12(12) . . ?
C119 Ce3 C175 148.80(12) . . ?
C174 Ce3 C175 27.69(14) . . ?
C178 Ce3 C175 70.89(13) . . ?
C179 Ce3 C175 77.89(11) . . ?
C101 Ce3 C175 91.05(11) . . ?
C173 Ce3 C175 52.88(13) . . ?
N16 Ce4 N18 112.39(12) . . ?
N16 Ce4 N17 94.99(13) . . ?
N18 Ce4 N17 54.05(13) . . ?
N16 Ce4 N15 54.34(12) . . ?
N18 Ce4 N15 94.36(12) . . ?
N17 Ce4 N15 126.19(12) . . ?
N16 Ce4 C175 125.05(10) . . ?
N18 Ce4 C175 108.36(10) . . ?
N17 Ce4 C175 139.28(10) . . ?
N15 Ce4 C175 87.90(9) . . ?
N16 Ce4 C173 82.59(9) . . ?
N18 Ce4 C173 161.82(9) . . ?
N17 Ce4 C173 137.85(10) . . ?
N15 Ce4 C173 86.11(9) . . ?
C175 Ce4 C173 53.47(14) . . ?
N16 Ce4 C174 99.19(10) . . ?
N18 Ce4 C174 134.33(11) . . ?
N17 Ce4 C174 156.04(9) . . ?
N15 Ce4 C174 77.69(8) . . ?
C175 Ce4 C174 27.91(14) . . ?
C173 Ce4 C174 28.27(14) . . ?
N16 Ce4 C177 154.72(9) . . ?
N18 Ce4 C177 89.63(9) . . ?
N17 Ce4 C177 87.96(9) . . ?
N15 Ce4 C177 139.54(9) . . ?
C175 Ce4 C177 52.98(12) . . ?
C173 Ce4 C177 78.52(11) . . ?
C174 Ce4 C177 71.10(12) . . ?
N16 Ce4 C180 84.41(9) . . ?
N18 Ce4 C180 156.07(10) . . ?
N17 Ce4 C180 109.68(10) . . ?
N15 Ce4 C180 109.47(10) . . ?
C175 Ce4 C180 71.54(13) . . ?
C173 Ce4 C180 28.19(13) . . ?
C174 Ce4 C180 53.21(14) . . ?
C177 Ce4 C180 71.02(12) . . ?
N16 Ce4 C176 152.64(9) . . ?
N18 Ce4 C176 90.91(9) . . ?
N17 Ce4 C176 110.76(9) . . ?
N15 Ce4 C176 112.07(10) . . ?
C175 Ce4 C176 28.52(13) . . ?
C173 Ce4 C176 72.21(12) . . ?
C174 Ce4 C176 53.45(12) . . ?
C177 Ce4 C176 27.51(12) . . ?
C180 Ce4 C176 78.44(11) . . ?
N16 Ce4 C137 27.26(9) . . ?
N18 Ce4 C137 105.37(9) . . ?
N17 Ce4 C137 112.87(9) . . ?
N15 Ce4 C137 27.09(8) . . ?
C175 Ce4 C137 107.14(13) . . ?
C173 Ce4 C137 83.11(11) . . ?
C174 Ce4 C137 87.74(12) . . ?
C177 Ce4 C137 158.83(11) . . ?
C180 Ce4 C137 97.18(12) . . ?
C176 Ce4 C137 134.86(13) . . ?
N16 Ce4 C179 102.01(9) . . ?
N18 Ce4 C179 128.56(10) . . ?
N17 Ce4 C179 86.96(9) . . ?
N15 Ce4 C179 137.07(9) . . ?
C175 Ce4 C179 78.42(11) . . ?
C173 Ce4 C179 53.10(13) . . ?
C174 Ce4 C179 71.30(13) . . ?
C177 Ce4 C179 52.99(12) . . ?
C180 Ce4 C179 27.61(13) . . ?
C176 Ce4 C179 71.37(12) . . ?
C137 Ce4 C179 121.55(12) . . ?
C1 N1 C7 123.8(4) . . ?
C1 N1 Ce1 93.7(3) . . ?
C7 N1 Ce1 142.4(3) . . ?
C1 N2 C13 122.6(4) . . ?
C1 N2 Ce1 94.1(3) . . ?
C13 N2 Ce1 143.1(3) . . ?
C19 N3 C25 119.2(4) . . ?
C19 N3 Ce1 91.4(3) . . ?
C25 N3 Ce1 149.0(3) . . ?
C19 N4 C31 120.7(4) . . ?
C19 N4 Ce1 95.6(3) . . ?
C31 N4 Ce1 143.6(3) . . ?
C37 N5 C43 119.4(3) . . ?
C37 N5 Ce2 94.8(2) . . ?
C43 N5 Ce2 144.7(3) . . ?
C37 N6 C49 118.9(3) . . ?
C37 N6 Ce2 93.0(2) . . ?
C49 N6 Ce2 148.0(3) . . ?
C55 N7 C67 116.7(4) . . ?
C55 N7 Ce2 93.1(3) . . ?
C67 N7 Ce2 147.5(3) . . ?
C55 N8 C61 117.1(4) . . ?
C55 N8 Ce2 93.1(3) . . ?
C61 N8 Ce2 147.6(3) . . ?
C101 N11 C107 119.2(2) . . ?
C101 N11 Ce3 94.44(17) . . ?
C107 N11 Ce3 146.0(2) . . ?
C101 N12 C113 118.2(2) . . ?
C101 N12 Ce3 93.57(17) . . ?
C113 N12 Ce3 148.1(2) . . ?
C119 N13 C125 115.8(3) . . ?
C119 N13 Ce3 91.45(17) . . ?
C125 N13 Ce3 149.5(2) . . ?
C119 N14 C131 117.8(3) . . ?
C119 N14 Ce3 92.85(18) . . ?
C131 N14 Ce3 147.1(2) . . ?
C137 N15 C143 118.8(2) . . ?
C137 N15 Ce4 92.66(17) . . ?
C143 N15 Ce4 148.5(2) . . ?
C137 N16 C149 119.8(3) . . ?
C137 N16 Ce4 94.55(18) . . ?
C149 N16 Ce4 145.6(2) . . ?
C155 N17 C167 119.7(3) . . ?
C155 N17 Ce4 93.9(2) . . ?
C167 N17 Ce4 146.2(3) . . ?
C155 N18 C161 118.2(3) . . ?
C155 N18 Ce4 94.68(19) . . ?
C161 N18 Ce4 146.9(2) . . ?
N1 C1 N2 118.3(4) . . ?
N1 C1 C2 123.0(4) . . ?
N2 C1 C2 118.7(4) . . ?
N1 C1 Ce1 59.9(2) . . ?
N2 C1 Ce1 58.5(2) . . ?
C2 C1 Ce1 177.1(3) . . ?
C3 C2 C1 175.5(5) . . ?
C2 C3 C4 175.5(5) . . ?
C3 C4 C6 117.0(4) . . ?
C3 C4 C5 117.6(4) . . ?
C6 C4 C5 58.7(3) . . ?
C6 C5 C4 60.4(3) . . ?
C5 C6 C4 60.9(3) . . ?
C8 C7 N1 116.0(4) . . ?
C8 C7 C12 115.9(4) . . ?
N1 C7 C12 113.7(4) . . ?
C7 C8 C9 107.7(5) . . ?
C10 C9 C8 110.3(5) . . ?
C11 C10 C9 109.9(5) . . ?
C10 C11 C12 113.7(5) . . ?
C7 C12 C11 110.8(4) . . ?
N2 C13 C18 110.7(3) . . ?
N2 C13 C14 112.0(4) . . ?
C18 C13 C14 110.7(4) . . ?
C15 C14 C13 111.5(4) . . ?
C16 C15 C14 112.6(4) . . ?
C15 C16 C17 110.2(4) . . ?
C16 C17 C18 110.0(4) . . ?
C13 C18 C17 112.6(4) . . ?
N4 C19 N3 117.8(4) . . ?
N4 C19 C20 120.5(4) . . ?
N3 C19 C20 121.7(4) . . ?
N4 C19 Ce1 57.2(2) . . ?
N3 C19 Ce1 61.1(2) . . ?
C20 C19 Ce1 170.9(3) . . ?
C21 C20 C19 175.0(5) . . ?
C20 C21 C22 179.4(5) . . ?
C21 C22 C24 119.3(5) . . ?
C21 C22 C23 118.8(4) . . ?
C24 C22 C23 59.0(3) . . ?
C24 C23 C22 60.0(3) . . ?
C23 C24 C22 61.0(3) . . ?
N3 C25 C26 110.4(4) . . ?
N3 C25 C30 111.3(4) . . ?
C26 C25 C30 110.5(4) . . ?
C25 C26 C27 112.3(4) . . ?
C26 C27 C28 110.6(4) . . ?
C29 C28 C27 110.4(4) . . ?
C28 C29 C30 111.1(5) . . ?
C29 C30 C25 110.6(4) . . ?
N4 C31 C36 110.8(3) . . ?
N4 C31 C32 109.1(3) . . ?
C36 C31 C32 110.6(3) . . ?
C33 C32 C31 111.2(3) . . ?
C32 C33 C34 110.4(3) . . ?
C35 C34 C33 110.3(4) . . ?
C34 C35 C36 111.8(3) . . ?
C31 C36 C35 112.9(3) . . ?
N6 C37 N5 117.8(4) . . ?
N6 C37 C38 122.2(4) . . ?
N5 C37 C38 119.9(4) . . ?
N6 C37 Ce2 60.0(2) . . ?
N5 C37 Ce2 58.2(2) . . ?
C38 C37 Ce2 171.1(3) . . ?
C39 C38 C37 170.3(4) . . ?
C38 C39 C40 175.3(5) . . ?
C39 C40 C42 117.6(4) . . ?
C39 C40 C41 118.6(4) . . ?
C42 C40 C41 58.7(4) . . ?
C42 C41 C40 60.6(3) . . ?
C41 C42 C40 60.7(4) . . ?
N5 C43 C44 111.2(3) . . ?
N5 C43 C48 110.8(3) . . ?
C44 C43 C48 111.0(3) . . ?
C43 C44 C45 112.6(4) . . ?
C46 C45 C44 111.3(4) . . ?
C47 C46 C45 111.4(4) . . ?
C46 C47 C48 111.0(4) . . ?
C47 C48 C43 111.2(3) . . ?
N6 C49 C50 112.5(3) . . ?
N6 C49 C54 109.9(3) . . ?
C50 C49 C54 110.2(3) . . ?
C49 C50 C51 111.5(3) . . ?
C52 C51 C50 111.6(3) . . ?
C51 C52 C53 111.3(3) . . ?
C52 C53 C54 110.6(3) . . ?
C49 C54 C53 111.5(3) . . ?
N7 C55 N8 117.0(4) . . ?
N7 C55 C56 122.2(4) . . ?
N8 C55 C56 120.8(4) . . ?
N7 C55 Ce2 59.6(2) . . ?
N8 C55 Ce2 59.6(2) . . ?
C56 C55 Ce2 163.8(3) . . ?
C57 C56 C55 177.4(5) . . ?
C56 C57 C58 179.0(5) . . ?
C57 C58 C60 120.8(5) . . ?
C57 C58 C59 119.2(5) . . ?
C60 C58 C59 59.1(4) . . ?
C60 C59 C58 60.2(4) . . ?
C59 C60 C58 60.6(4) . . ?
N8 C61 C62 110.2(3) . . ?
N8 C61 C66 111.8(3) . . ?
C62 C61 C66 109.2(3) . . ?
C61 C62 C63 111.1(4) . . ?
C64 C63 C62 111.3(4) . . ?
C65 C64 C63 110.5(4) . . ?
C64 C65 C66 112.6(4) . . ?
C65 C66 C61 109.5(4) . . ?
N7 C67 C72 110.3(3) . . ?
N7 C67 C68 111.0(3) . . ?
C72 C67 C68 110.3(3) . . ?
C69 C68 C67 112.1(4) . . ?
C68 C69 C70 112.0(4) . . ?
C71 C70 C69 110.5(4) . . ?
C70 C71 C72 110.7(4) . . ?
C67 C72 C71 112.0(4) . . ?
C80 C73 C74 135.7(4) . . ?
C80 C73 Ce2 77.0(3) . . ?
C74 C73 Ce2 77.3(3) . . ?
C80 C73 Ce1 75.6(2) . . ?
C74 C73 Ce1 75.7(3) . . ?
Ce2 C73 Ce1 102.70(14) . . ?
C73 C74 C75 134.0(4) . . ?
C73 C74 Ce1 76.1(2) . . ?
C75 C74 Ce1 77.0(3) . . ?
C73 C74 Ce2 74.5(2) . . ?
C75 C74 Ce2 75.5(2) . . ?
Ce1 C74 Ce2 101.97(13) . . ?
C76 C75 C74 135.6(4) . . ?
C76 C75 Ce2 77.1(2) . . ?
C74 C75 Ce2 76.3(2) . . ?
C76 C75 Ce1 76.6(2) . . ?
C74 C75 Ce1 74.8(2) . . ?
Ce2 C75 Ce1 101.51(13) . . ?
C77 C76 C75 135.8(4) . . ?
C77 C76 Ce2 76.1(2) . . ?
C75 C76 Ce2 75.0(2) . . ?
C77 C76 Ce1 77.7(2) . . ?
C75 C76 Ce1 75.7(2) . . ?
Ce2 C76 Ce1 100.58(13) . . ?
C76 C77 C78 133.7(4) . . ?
C76 C77 Ce2 76.1(2) . . ?
C78 C77 Ce2 75.9(2) . . ?
C76 C77 Ce1 74.8(2) . . ?
C78 C77 Ce1 74.4(2) . . ?
Ce2 C77 Ce1 99.74(14) . . ?
C79 C78 C77 135.1(4) . . ?
C79 C78 Ce2 74.7(2) . . ?
C77 C78 Ce2 75.8(2) . . ?
C79 C78 Ce1 75.4(2) . . ?
C77 C78 Ce1 77.7(2) . . ?
Ce2 C78 Ce1 100.69(12) . . ?
C80 C79 C78 135.7(4) . . ?
C80 C79 Ce2 76.2(3) . . ?
C78 C79 Ce2 77.2(3) . . ?
C80 C79 Ce1 75.1(2) . . ?
C78 C79 Ce1 76.6(2) . . ?
Ce2 C79 Ce1 101.78(14) . . ?
C73 C80 C79 134.0(4) . . ?
C73 C80 Ce1 76.1(2) . . ?
C79 C80 Ce1 76.8(2) . . ?
C73 C80 Ce2 74.7(3) . . ?
C79 C80 Ce2 75.6(3) . . ?
Ce1 C80 Ce2 102.13(14) . . ?
N11 C101 N12 117.1(3) . . ?
N11 C101 C102 120.4(3) . . ?
N12 C101 C102 122.5(3) . . ?
N11 C101 Ce3 58.31(14) . . ?
N12 C101 Ce3 59.12(15) . . ?
C102 C101 Ce3 172.1(3) . . ?
C103 C102 C101 172.9(4) . . ?
C102 C103 C104 174.2(4) . . ?
C103 C104 C105 118.5(4) . . ?
C103 C104 C106 116.9(4) . . ?
C105 C104 C106 58.4(3) . . ?
C106 C105 C104 61.1(3) . . ?
C105 C106 C104 60.5(3) . . ?
N11 C107 C112 108.4(3) . . ?
N11 C107 C108 111.5(3) . . ?
C112 C107 C108 111.1(3) . . ?
C109 C108 C107 111.2(4) . . ?
C110 C109 C108 111.2(4) . . ?
C109 C110 C111 109.7(4) . . ?
C110 C111 C112 110.7(4) . . ?
C107 C112 C111 111.4(3) . . ?
N12 C113 C118 109.7(3) . . ?
N12 C113 C114 112.6(3) . . ?
C118 C113 C114 109.9(3) . . ?
C115 C114 C113 111.0(3) . . ?
C116 C115 C114 111.9(3) . . ?
C115 C116 C117 111.3(4) . . ?
C116 C117 C118 112.1(4) . . ?
C117 C118 C113 111.4(3) . . ?
N14 C119 N13 119.0(3) . . ?
N14 C119 C120 119.9(3) . . ?
N13 C119 C120 121.0(3) . . ?
N14 C119 Ce3 59.86(15) . . ?
N13 C119 Ce3 61.14(15) . . ?
C120 C119 Ce3 161.8(3) . . ?
C121 C120 C119 175.5(4) . . ?
C120 C121 C122 177.9(5) . . ?
C121 C122 C124 119.7(4) . . ?
C121 C122 C123 119.0(4) . . ?
C124 C122 C123 58.8(3) . . ?
C124 C123 C122 60.5(3) . . ?
C123 C124 C122 60.7(3) . . ?
N13 C125 C130 110.4(3) . . ?
N13 C125 C126 111.6(3) . . ?
C130 C125 C126 110.1(4) . . ?
C125 C126 C127 110.7(4) . . ?
C128 C127 C126 110.9(5) . . ?
C129 C128 C127 111.8(4) . . ?
C128 C129 C130 111.6(4) . . ?
C125 C130 C129 110.0(4) . . ?
N14 C131 C136 111.7(3) . . ?
N14 C131 C132 111.0(3) . . ?
C136 C131 C132 110.6(3) . . ?
C131 C132 C133 110.2(4) . . ?
C134 C133 C132 111.6(4) . . ?
C133 C134 C135 111.4(4) . . ?
C134 C135 C136 111.8(4) . . ?
C131 C136 C135 109.9(3) . . ?
N15 C137 N16 118.4(3) . . ?
N15 C137 C138 121.0(3) . . ?
N16 C137 C138 120.6(3) . . ?
N15 C137 Ce4 60.25(15) . . ?
N16 C137 Ce4 58.19(15) . . ?
C138 C137 Ce4 177.4(3) . . ?
C139 C138 C137 179.5(5) . . ?
C138 C139 C140 178.6(5) . . ?
C139 C140 C141 117.9(4) . . ?
C139 C140 C142 118.1(4) . . ?
C141 C140 C142 58.3(3) . . ?
C142 C141 C140 61.1(3) . . ?
C141 C142 C140 60.6(3) . . ?
N15 C143 C148 111.6(3) . . ?
N15 C143 C144 109.9(3) . . ?
C148 C143 C144 110.2(4) . . ?
C145 C144 C143 111.9(4) . . ?
C146 C145 C144 110.6(4) . . ?
C147 C146 C145 111.4(4) . . ?
C146 C147 C148 111.3(4) . . ?
C143 C148 C147 112.2(4) . . ?
N16 C149 C154 110.7(3) . . ?
N16 C149 C150 108.8(3) . . ?
C154 C149 C150 110.3(3) . . ?
C151 C150 C149 112.4(3) . . ?
C152 C151 C150 111.7(4) . . ?
C153 C152 C151 110.5(4) . . ?
C152 C153 C154 110.8(3) . . ?
C153 C154 C149 111.1(3) . . ?
N17 C155 N18 117.3(3) . . ?
N17 C155 C156 122.1(4) . . ?
N18 C155 C156 120.6(4) . . ?
N17 C155 Ce4 59.15(17) . . ?
N18 C155 Ce4 58.16(15) . . ?
C156 C155 Ce4 177.5(3) . . ?
C157 C156 C155 177.2(5) . . ?
C156 C157 C158 175.3(5) . . ?
C157 C158 C160 117.4(4) . . ?
C157 C158 C159 118.1(4) . . ?
C160 C158 C159 59.8(3) . . ?
C160 C159 C158 59.8(3) . . ?
C159 C160 C158 60.4(3) . . ?
N18 C161 C162 113.4(3) . . ?
N18 C161 C166 108.7(3) . . ?
C162 C161 C166 110.3(4) . . ?
C161 C162 C163 110.0(4) . . ?
C164 C163 C162 111.2(4) . . ?
C165 C164 C163 110.4(4) . . ?
C164 C165 C166 111.7(4) . . ?
C165 C166 C161 111.2(4) . . ?
C172 C167 N17 115.9(4) . . ?
C172 C167 C168 116.0(5) . . ?
N17 C167 C168 114.1(4) . . ?
C167 C168 C169 114.0(5) . . ?
C170 C169 C168 116.1(6) . . ?
C169 C170 C171 110.3(6) . . ?
C172 C171 C170 106.4(6) . . ?
C167 C172 C171 115.2(6) . . ?
C180 C173 C174 133.6(4) . . ?
C180 C173 Ce4 76.2(3) . . ?
C174 C173 Ce4 76.0(3) . . ?
C180 C173 Ce3 75.1(2) . . ?
C174 C173 Ce3 75.5(2) . . ?
Ce4 C173 Ce3 102.29(14) . . ?
C175 C174 C173 135.6(4) . . ?
C175 C174 Ce4 75.8(3) . . ?
C173 C174 Ce4 75.7(3) . . ?
C175 C174 Ce3 77.4(2) . . ?
C173 C174 Ce3 76.4(2) . . ?
Ce4 C174 Ce3 102.49(14) . . ?
C174 C175 C176 135.0(4) . . ?
C174 C175 Ce4 76.3(2) . . ?
C176 C175 Ce4 76.3(2) . . ?
C174 C175 Ce3 74.9(2) . . ?
C176 C175 Ce3 76.7(2) . . ?
Ce4 C175 Ce3 101.84(12) . . ?
C177 C176 C175 133.7(4) . . ?
C177 C176 Ce4 76.0(2) . . ?
C175 C176 Ce4 75.1(2) . . ?
C177 C176 Ce3 75.8(2) . . ?
C175 C176 Ce3 75.2(2) . . ?
Ce4 C176 Ce3 101.00(13) . . ?
C176 C177 C178 136.7(4) . . ?
C176 C177 Ce4 76.5(2) . . ?
C178 C177 Ce4 77.6(2) . . ?
C176 C177 Ce3 77.1(2) . . ?
C178 C177 Ce3 74.9(2) . . ?
Ce4 C177 Ce3 101.55(13) . . ?
C177 C178 C179 134.5(4) . . ?
C177 C178 Ce3 77.5(2) . . ?
C179 C178 Ce3 76.0(2) . . ?
C177 C178 Ce4 74.7(2) . . ?
C179 C178 Ce4 75.2(2) . . ?
Ce3 C178 Ce4 101.46(14) . . ?
C180 C179 C178 134.5(4) . . ?
C180 C179 Ce3 75.4(2) . . ?
C178 C179 Ce3 75.7(2) . . ?
C180 C179 Ce4 75.6(2) . . ?
C178 C179 Ce4 76.8(2) . . ?
Ce3 C179 Ce4 101.84(12) . . ?
C179 C180 C173 136.1(4) . . ?
C179 C180 Ce3 76.9(2) . . ?
C173 C180 Ce3 76.8(2) . . ?
C179 C180 Ce4 76.8(3) . . ?
C173 C180 Ce4 75.6(3) . . ?
Ce3 C180 Ce4 102.62(14) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 Ce1 N1 C1 114.7(3) . . . . ?
N2 Ce1 N1 C1 -1.4(2) . . . . ?
N3 Ce1 N1 C1 68.2(3) . . . . ?
C80 Ce1 N1 C1 -92.1(3) . . . . ?
C74 Ce1 N1 C1 -146.1(3) . . . . ?
C73 Ce1 N1 C1 -119.1(3) . . . . ?
C19 Ce1 N1 C1 95.7(3) . . . . ?
C79 Ce1 N1 C1 -77.5(3) . . . . ?
C75 Ce1 N1 C1 -160.7(2) . . . . ?
C78 Ce1 N1 C1 -78.9(3) . . . . ?
N4 Ce1 N1 C7 -68.3(5) . . . . ?
N2 Ce1 N1 C7 175.6(5) . . . . ?
N3 Ce1 N1 C7 -114.8(5) . . . . ?
C80 Ce1 N1 C7 84.8(5) . . . . ?
C74 Ce1 N1 C7 30.9(5) . . . . ?
C73 Ce1 N1 C7 57.8(5) . . . . ?
C19 Ce1 N1 C7 -87.3(5) . . . . ?
C1 Ce1 N1 C7 177.0(6) . . . . ?
C79 Ce1 N1 C7 99.5(5) . . . . ?
C75 Ce1 N1 C7 16.3(5) . . . . ?
C78 Ce1 N1 C7 98.1(5) . . . . ?
N4 Ce1 N2 C1 -74.5(3) . . . . ?
N1 Ce1 N2 C1 1.3(2) . . . . ?
N3 Ce1 N2 C1 -128.8(3) . . . . ?
C80 Ce1 N2 C1 86.4(3) . . . . ?
C74 Ce1 N2 C1 47.2(3) . . . . ?
C73 Ce1 N2 C1 62.2(3) . . . . ?
C19 Ce1 N2 C1 -103.1(3) . . . . ?
C79 Ce1 N2 C1 114.4(3) . . . . ?
C75 Ce1 N2 C1 53.1(4) . . . . ?
C78 Ce1 N2 C1 136.5(2) . . . . ?
N4 Ce1 N2 C13 99.4(5) . . . . ?
N1 Ce1 N2 C13 175.2(5) . . . . ?
N3 Ce1 N2 C13 45.1(5) . . . . ?
C80 Ce1 N2 C13 -99.7(5) . . . . ?
C74 Ce1 N2 C13 -138.9(4) . . . . ?
C73 Ce1 N2 C13 -124.0(4) . . . . ?
C19 Ce1 N2 C13 70.7(5) . . . . ?
C1 Ce1 N2 C13 173.8(6) . . . . ?
C79 Ce1 N2 C13 -71.7(5) . . . . ?
C75 Ce1 N2 C13 -133.0(4) . . . . ?
C78 Ce1 N2 C13 -49.7(5) . . . . ?
N4 Ce1 N3 C19 4.8(2) . . . . ?
N2 Ce1 N3 C19 117.3(3) . . . . ?
N1 Ce1 N3 C19 67.7(3) . . . . ?
C80 Ce1 N3 C19 -147.7(3) . . . . ?
C74 Ce1 N3 C19 -58.0(3) . . . . ?
C73 Ce1 N3 C19 -92.8(4) . . . . ?
C1 Ce1 N3 C19 94.3(3) . . . . ?
C79 Ce1 N3 C19 -149.0(3) . . . . ?
C75 Ce1 N3 C19 -63.5(3) . . . . ?
C78 Ce1 N3 C19 -134.2(3) . . . . ?
N4 Ce1 N3 C25 175.6(6) . . . . ?
N2 Ce1 N3 C25 -71.8(6) . . . . ?
N1 Ce1 N3 C25 -121.5(6) . . . . ?
C80 Ce1 N3 C25 23.1(7) . . . . ?
C74 Ce1 N3 C25 112.8(6) . . . . ?
C73 Ce1 N3 C25 78.1(7) . . . . ?
C19 Ce1 N3 C25 170.9(7) . . . . ?
C1 Ce1 N3 C25 -94.8(6) . . . . ?
C79 Ce1 N3 C25 21.8(6) . . . . ?
C75 Ce1 N3 C25 107.3(6) . . . . ?
C78 Ce1 N3 C25 36.6(6) . . . . ?
N2 Ce1 N4 C19 -87.0(3) . . . . ?
N1 Ce1 N4 C19 -138.6(3) . . . . ?
N3 Ce1 N4 C19 -4.9(2) . . . . ?
C80 Ce1 N4 C19 139.2(3) . . . . ?
C74 Ce1 N4 C19 136.6(3) . . . . ?
C73 Ce1 N4 C19 148.4(2) . . . . ?
C1 Ce1 N4 C19 -114.1(3) . . . . ?
C79 Ce1 N4 C19 70.7(4) . . . . ?
C75 Ce1 N4 C19 112.8(3) . . . . ?
C78 Ce1 N4 C19 53.5(3) . . . . ?
N2 Ce1 N4 C31 97.1(5) . . . . ?
N1 Ce1 N4 C31 45.5(5) . . . . ?
N3 Ce1 N4 C31 179.3(5) . . . . ?
C80 Ce1 N4 C31 -36.7(6) . . . . ?
C74 Ce1 N4 C31 -39.3(5) . . . . ?
C73 Ce1 N4 C31 -27.5(5) . . . . ?
C19 Ce1 N4 C31 -175.8(6) . . . . ?
C1 Ce1 N4 C31 70.1(5) . . . . ?
C79 Ce1 N4 C31 -105.1(5) . . . . ?
C75 Ce1 N4 C31 -63.1(5) . . . . ?
C78 Ce1 N4 C31 -122.3(5) . . . . ?
N8 Ce2 N5 C37 71.4(3) . . . . ?
N7 Ce2 N5 C37 121.5(2) . . . . ?
N6 Ce2 N5 C37 -3.9(2) . . . . ?
C73 Ce2 N5 C37 -63.7(3) . . . . ?
C79 Ce2 N5 C37 -81.7(3) . . . . ?
C75 Ce2 N5 C37 -155.6(2) . . . . ?
C80 Ce2 N5 C37 -65.1(3) . . . . ?
C74 Ce2 N5 C37 -113.6(4) . . . . ?
C55 Ce2 N5 C37 101.1(2) . . . . ?
C77 Ce2 N5 C37 -135.3(3) . . . . ?
C76 Ce2 N5 C37 -152.2(2) . . . . ?
N8 Ce2 N5 C43 -95.1(5) . . . . ?
N7 Ce2 N5 C43 -45.0(5) . . . . ?
N6 Ce2 N5 C43 -170.4(5) . . . . ?
C73 Ce2 N5 C43 129.8(5) . . . . ?
C79 Ce2 N5 C43 111.8(5) . . . . ?
C75 Ce2 N5 C43 37.9(6) . . . . ?
C80 Ce2 N5 C43 128.4(5) . . . . ?
C74 Ce2 N5 C43 79.9(6) . . . . ?
C55 Ce2 N5 C43 -65.4(5) . . . . ?
C77 Ce2 N5 C43 58.2(5) . . . . ?
C76 Ce2 N5 C43 41.3(5) . . . . ?
N5 Ce2 N6 C37 3.9(2) . . . . ?
N8 Ce2 N6 C37 -119.6(2) . . . . ?
N7 Ce2 N6 C37 -67.4(3) . . . . ?
C73 Ce2 N6 C37 151.3(2) . . . . ?
C79 Ce2 N6 C37 102.1(3) . . . . ?
C75 Ce2 N6 C37 136.2(3) . . . . ?
C80 Ce2 N6 C37 130.5(3) . . . . ?
C74 Ce2 N6 C37 158.8(2) . . . . ?
C55 Ce2 N6 C37 -97.7(3) . . . . ?
C77 Ce2 N6 C37 66.0(3) . . . . ?
C76 Ce2 N6 C37 75.3(3) . . . . ?
N5 Ce2 N6 C49 -179.8(5) . . . . ?
N8 Ce2 N6 C49 56.6(5) . . . . ?
N7 Ce2 N6 C49 108.9(5) . . . . ?
C73 Ce2 N6 C49 -32.4(5) . . . . ?
C79 Ce2 N6 C49 -81.6(5) . . . . ?
C75 Ce2 N6 C49 -47.6(7) . . . . ?
C80 Ce2 N6 C49 -53.3(5) . . . . ?
C74 Ce2 N6 C49 -24.9(5) . . . . ?
C55 Ce2 N6 C49 78.5(5) . . . . ?
C77 Ce2 N6 C49 -117.7(5) . . . . ?
C76 Ce2 N6 C49 -108.5(5) . . . . ?
N5 Ce2 N7 C55 -135.6(3) . . . . ?
N8 Ce2 N7 C55 -9.7(2) . . . . ?
N6 Ce2 N7 C55 -85.4(3) . . . . ?
C73 Ce2 N7 C55 48.2(3) . . . . ?
C79 Ce2 N7 C55 120.8(3) . . . . ?
C75 Ce2 N7 C55 84.9(3) . . . . ?
C80 Ce2 N7 C55 56.7(4) . . . . ?
C74 Ce2 N7 C55 60.9(3) . . . . ?
C77 Ce2 N7 C55 133.9(3) . . . . ?
C76 Ce2 N7 C55 112.9(3) . . . . ?
N5 Ce2 N7 C67 67.4(5) . . . . ?
N8 Ce2 N7 C67 -166.8(6) . . . . ?
N6 Ce2 N7 C67 117.5(5) . . . . ?
C73 Ce2 N7 C67 -108.9(5) . . . . ?
C79 Ce2 N7 C67 -36.2(7) . . . . ?
C75 Ce2 N7 C67 -72.1(5) . . . . ?
C80 Ce2 N7 C67 -100.4(5) . . . . ?
C74 Ce2 N7 C67 -96.1(5) . . . . ?
C55 Ce2 N7 C67 -157.1(7) . . . . ?
C77 Ce2 N7 C67 -23.2(5) . . . . ?
C76 Ce2 N7 C67 -44.2(5) . . . . ?
N5 Ce2 N8 C55 80.7(3) . . . . ?
N7 Ce2 N8 C55 9.7(2) . . . . ?
N6 Ce2 N8 C55 132.7(3) . . . . ?
C73 Ce2 N8 C55 -124.6(3) . . . . ?
C79 Ce2 N8 C55 -142.5(2) . . . . ?
C75 Ce2 N8 C55 -71.0(3) . . . . ?
C80 Ce2 N8 C55 -141.3(2) . . . . ?
C74 Ce2 N8 C55 -97.5(3) . . . . ?
C77 Ce2 N8 C55 -54.7(3) . . . . ?
C76 Ce2 N8 C55 -55.5(3) . . . . ?
N5 Ce2 N8 C61 -119.8(5) . . . . ?
N7 Ce2 N8 C61 169.2(6) . . . . ?
N6 Ce2 N8 C61 -67.8(5) . . . . ?
C73 Ce2 N8 C61 34.8(5) . . . . ?
C79 Ce2 N8 C61 17.0(6) . . . . ?
C75 Ce2 N8 C61 88.5(5) . . . . ?
C80 Ce2 N8 C61 18.2(6) . . . . ?
C74 Ce2 N8 C61 61.9(5) . . . . ?
C55 Ce2 N8 C61 159.5(7) . . . . ?
C77 Ce2 N8 C61 104.8(5) . . . . ?
C76 Ce2 N8 C61 104.0(5) . . . . ?
N14 Ce3 N11 C101 -70.4(2) . . . . ?
N12 Ce3 N11 C101 3.72(16) . . . . ?
N13 Ce3 N11 C101 -120.26(18) . . . . ?
C180 Ce3 N11 C101 153.9(2) . . . . ?
C119 Ce3 N11 C101 -99.37(18) . . . . ?
C174 Ce3 N11 C101 136.59(18) . . . . ?
C178 Ce3 N11 C101 64.6(2) . . . . ?
C179 Ce3 N11 C101 107.7(3) . . . . ?
C173 Ce3 N11 C101 153.17(19) . . . . ?
C175 Ce3 N11 C101 110.39(19) . . . . ?
N14 Ce3 N11 C107 101.9(4) . . . . ?
N12 Ce3 N11 C107 176.0(4) . . . . ?
N13 Ce3 N11 C107 52.0(4) . . . . ?
C180 Ce3 N11 C107 -33.8(5) . . . . ?
C119 Ce3 N11 C107 72.9(4) . . . . ?
C174 Ce3 N11 C107 -51.1(4) . . . . ?
C178 Ce3 N11 C107 -123.1(3) . . . . ?
C179 Ce3 N11 C107 -80.0(5) . . . . ?
C101 Ce3 N11 C107 172.3(5) . . . . ?
C173 Ce3 N11 C107 -34.5(4) . . . . ?
C175 Ce3 N11 C107 -77.3(4) . . . . ?
N11 Ce3 N12 C101 -3.72(16) . . . . ?
N14 Ce3 N12 C101 119.01(18) . . . . ?
N13 Ce3 N12 C101 67.5(2) . . . . ?
C180 Ce3 N12 C101 -139.9(3) . . . . ?
C119 Ce3 N12 C101 97.19(18) . . . . ?
C174 Ce3 N12 C101 -65.6(2) . . . . ?
C178 Ce3 N12 C101 -148.52(18) . . . . ?
C179 Ce3 N12 C101 -157.42(18) . . . . ?
C173 Ce3 N12 C101 -77.3(2) . . . . ?
C175 Ce3 N12 C101 -76.56(18) . . . . ?
N11 Ce3 N12 C113 -180.0(5) . . . . ?
N14 Ce3 N12 C113 -57.3(4) . . . . ?
N13 Ce3 N12 C113 -108.8(4) . . . . ?
C180 Ce3 N12 C113 43.8(5) . . . . ?
C119 Ce3 N12 C113 -79.1(4) . . . . ?
C174 Ce3 N12 C113 118.2(4) . . . . ?
C178 Ce3 N12 C113 35.2(4) . . . . ?
C179 Ce3 N12 C113 26.3(5) . . . . ?
C101 Ce3 N12 C113 -176.3(6) . . . . ?
C173 Ce3 N12 C113 106.4(4) . . . . ?
C175 Ce3 N12 C113 107.2(4) . . . . ?
N11 Ce3 N13 C119 133.85(18) . . . . ?
N14 Ce3 N13 C119 9.16(16) . . . . ?
N12 Ce3 N13 C119 83.4(2) . . . . ?
C180 Ce3 N13 C119 -84.71(18) . . . . ?
C174 Ce3 N13 C119 -135.21(18) . . . . ?
C178 Ce3 N13 C119 -50.1(2) . . . . ?
C179 Ce3 N13 C119 -61.99(18) . . . . ?
C101 Ce3 N13 C119 109.54(17) . . . . ?
C173 Ce3 N13 C119 -112.96(18) . . . . ?
C175 Ce3 N13 C119 -145.33(19) . . . . ?
N11 Ce3 N13 C125 -72.0(4) . . . . ?
N14 Ce3 N13 C125 163.3(5) . . . . ?
N12 Ce3 N13 C125 -122.5(4) . . . . ?
C180 Ce3 N13 C125 69.4(4) . . . . ?
C119 Ce3 N13 C125 154.2(6) . . . . ?
C174 Ce3 N13 C125 18.9(5) . . . . ?
C178 Ce3 N13 C125 104.0(4) . . . . ?
C179 Ce3 N13 C125 92.2(4) . . . . ?
C101 Ce3 N13 C125 -96.3(4) . . . . ?
C173 Ce3 N13 C125 41.2(4) . . . . ?
C175 Ce3 N13 C125 8.8(5) . . . . ?
N11 Ce3 N14 C119 -79.7(2) . . . . ?
N12 Ce3 N14 C119 -131.51(19) . . . . ?
N13 Ce3 N14 C119 -9.20(16) . . . . ?
C180 Ce3 N14 C119 74.53(19) . . . . ?
C174 Ce3 N14 C119 54.5(3) . . . . ?
C178 Ce3 N14 C119 127.58(18) . . . . ?
C179 Ce3 N14 C119 100.99(18) . . . . ?
C101 Ce3 N14 C119 -106.62(18) . . . . ?
C173 Ce3 N14 C119 57.0(2) . . . . ?
C175 Ce3 N14 C119 98.1(3) . . . . ?
N11 Ce3 N14 C131 120.9(4) . . . . ?
N12 Ce3 N14 C131 69.1(4) . . . . ?
N13 Ce3 N14 C131 -168.6(5) . . . . ?
C180 Ce3 N14 C131 -84.9(4) . . . . ?
C119 Ce3 N14 C131 -159.4(6) . . . . ?
C174 Ce3 N14 C131 -104.9(4) . . . . ?
C178 Ce3 N14 C131 -31.8(4) . . . . ?
C179 Ce3 N14 C131 -58.4(4) . . . . ?
C101 Ce3 N14 C131 94.0(4) . . . . ?
C173 Ce3 N14 C131 -102.4(4) . . . . ?
C175 Ce3 N14 C131 -61.3(6) . . . . ?
N16 Ce4 N15 C137 -1.21(16) . . . . ?
N18 Ce4 N15 C137 -115.76(18) . . . . ?
N17 Ce4 N15 C137 -68.1(2) . . . . ?
C175 Ce4 N15 C137 135.98(19) . . . . ?
C173 Ce4 N15 C137 82.46(19) . . . . ?
C174 Ce4 N15 C137 109.8(2) . . . . ?
C177 Ce4 N15 C137 149.7(2) . . . . ?
C180 Ce4 N15 C137 66.41(19) . . . . ?
C176 Ce4 N15 C137 151.48(19) . . . . ?
C179 Ce4 N15 C137 65.5(2) . . . . ?
N16 Ce4 N15 C143 178.7(5) . . . . ?
N18 Ce4 N15 C143 64.1(4) . . . . ?
N17 Ce4 N15 C143 111.8(4) . . . . ?
C175 Ce4 N15 C143 -44.1(4) . . . . ?
C173 Ce4 N15 C143 -97.6(4) . . . . ?
C174 Ce4 N15 C143 -70.3(4) . . . . ?
C177 Ce4 N15 C143 -30.4(5) . . . . ?
C180 Ce4 N15 C143 -113.7(4) . . . . ?
C176 Ce4 N15 C143 -28.6(4) . . . . ?
C137 Ce4 N15 C143 179.9(6) . . . . ?
C179 Ce4 N15 C143 -114.6(4) . . . . ?
N18 Ce4 N16 C137 80.0(2) . . . . ?
N17 Ce4 N16 C137 133.02(19) . . . . ?
N15 Ce4 N16 C137 1.20(16) . . . . ?
C175 Ce4 N16 C137 -54.9(2) . . . . ?
C173 Ce4 N16 C137 -89.32(19) . . . . ?
C174 Ce4 N16 C137 -66.35(19) . . . . ?
C177 Ce4 N16 C137 -131.2(3) . . . . ?
C180 Ce4 N16 C137 -117.64(19) . . . . ?
C176 Ce4 N16 C137 -66.5(3) . . . . ?
C179 Ce4 N16 C137 -139.03(18) . . . . ?
N18 Ce4 N16 C149 -96.3(4) . . . . ?
N17 Ce4 N16 C149 -43.3(4) . . . . ?
N15 Ce4 N16 C149 -175.1(5) . . . . ?
C175 Ce4 N16 C149 128.8(4) . . . . ?
C173 Ce4 N16 C149 94.3(4) . . . . ?
C174 Ce4 N16 C149 117.3(4) . . . . ?
C177 Ce4 N16 C149 52.5(5) . . . . ?
C180 Ce4 N16 C149 66.0(4) . . . . ?
C176 Ce4 N16 C149 117.2(4) . . . . ?
C137 Ce4 N16 C149 -176.3(6) . . . . ?
C179 Ce4 N16 C149 44.6(4) . . . . ?
N16 Ce4 N17 C155 -115.11(19) . . . . ?
N18 Ce4 N17 C155 -0.97(16) . . . . ?
N15 Ce4 N17 C155 -66.5(2) . . . . ?
C175 Ce4 N17 C155 74.8(2) . . . . ?
C173 Ce4 N17 C155 160.4(2) . . . . ?
C174 Ce4 N17 C155 118.6(3) . . . . ?
C177 Ce4 N17 C155 90.04(19) . . . . ?
C180 Ce4 N17 C155 159.05(18) . . . . ?
C176 Ce4 N17 C155 74.32(19) . . . . ?
C137 Ce4 N17 C155 -93.80(18) . . . . ?
C179 Ce4 N17 C155 143.08(18) . . . . ?
N16 Ce4 N17 C167 70.2(4) . . . . ?
N18 Ce4 N17 C167 -175.7(5) . . . . ?
N15 Ce4 N17 C167 118.8(4) . . . . ?
C175 Ce4 N17 C167 -99.9(4) . . . . ?
C173 Ce4 N17 C167 -14.3(5) . . . . ?
C174 Ce4 N17 C167 -56.1(5) . . . . ?
C177 Ce4 N17 C167 -84.7(4) . . . . ?
C180 Ce4 N17 C167 -15.7(4) . . . . ?
C176 Ce4 N17 C167 -100.4(4) . . . . ?
C137 Ce4 N17 C167 91.5(4) . . . . ?
C179 Ce4 N17 C167 -31.6(4) . . . . ?
N16 Ce4 N18 C155 80.45(19) . . . . ?
N17 Ce4 N18 C155 0.96(16) . . . . ?
N15 Ce4 N18 C155 133.51(18) . . . . ?
C175 Ce4 N18 C155 -137.25(18) . . . . ?
C173 Ce4 N18 C155 -135.7(3) . . . . ?
C174 Ce4 N18 C155 -149.5(2) . . . . ?
C177 Ce4 N18 C155 -86.79(18) . . . . ?
C180 Ce4 N18 C155 -51.5(3) . . . . ?
C176 Ce4 N18 C155 -114.27(19) . . . . ?
C137 Ce4 N18 C155 108.34(18) . . . . ?
C179 Ce4 N18 C155 -47.6(2) . . . . ?
N16 Ce4 N18 C161 -106.4(4) . . . . ?
N17 Ce4 N18 C161 174.1(5) . . . . ?
N15 Ce4 N18 C161 -53.4(4) . . . . ?
C175 Ce4 N18 C161 35.9(4) . . . . ?
C173 Ce4 N18 C161 37.4(6) . . . . ?
C174 Ce4 N18 C161 23.7(5) . . . . ?
C177 Ce4 N18 C161 86.3(4) . . . . ?
C180 Ce4 N18 C161 121.6(4) . . . . ?
C176 Ce4 N18 C161 58.8(4) . . . . ?
C137 Ce4 N18 C161 -78.6(4) . . . . ?
C179 Ce4 N18 C161 125.5(4) . . . . ?
C7 N1 C1 N2 -175.5(4) . . . . ?
Ce1 N1 C1 N2 2.3(4) . . . . ?
C7 N1 C1 C2 2.9(6) . . . . ?
Ce1 N1 C1 C2 -179.3(4) . . . . ?
C7 N1 C1 Ce1 -177.8(5) . . . . ?
C13 N2 C1 N1 -178.0(4) . . . . ?
Ce1 N2 C1 N1 -2.3(4) . . . . ?
C13 N2 C1 C2 3.6(6) . . . . ?
Ce1 N2 C1 C2 179.2(3) . . . . ?
C13 N2 C1 Ce1 -175.6(4) . . . . ?
N4 Ce1 C1 N1 -68.6(3) . . . . ?
N2 Ce1 C1 N1 177.6(4) . . . . ?
N3 Ce1 C1 N1 -125.1(3) . . . . ?
C80 Ce1 C1 N1 85.6(3) . . . . ?
C74 Ce1 C1 N1 35.3(3) . . . . ?
C73 Ce1 C1 N1 57.5(3) . . . . ?
C19 Ce1 C1 N1 -95.3(3) . . . . ?
C79 Ce1 C1 N1 109.4(3) . . . . ?
C75 Ce1 C1 N1 25.4(3) . . . . ?
C78 Ce1 C1 N1 123.3(3) . . . . ?
N4 Ce1 C1 N2 113.8(3) . . . . ?
N1 Ce1 C1 N2 -177.6(4) . . . . ?
N3 Ce1 C1 N2 57.3(3) . . . . ?
C80 Ce1 C1 N2 -92.0(3) . . . . ?
C74 Ce1 C1 N2 -142.3(3) . . . . ?
C73 Ce1 C1 N2 -120.1(3) . . . . ?
C19 Ce1 C1 N2 87.1(3) . . . . ?
C79 Ce1 C1 N2 -68.2(3) . . . . ?
C75 Ce1 C1 N2 -152.2(2) . . . . ?
C78 Ce1 C1 N2 -54.3(3) . . . . ?
N4 Ce1 C1 C2 99(6) . . . . ?
N2 Ce1 C1 C2 -14(6) . . . . ?
N1 Ce1 C1 C2 168(6) . . . . ?
N3 Ce1 C1 C2 43(6) . . . . ?
C80 Ce1 C1 C2 -106(6) . . . . ?
C74 Ce1 C1 C2 -157(6) . . . . ?
C73 Ce1 C1 C2 -134(6) . . . . ?
C19 Ce1 C1 C2 73(6) . . . . ?
C79 Ce1 C1 C2 -83(6) . . . . ?
C75 Ce1 C1 C2 -167(6) . . . . ?
C78 Ce1 C1 C2 -69(6) . . . . ?
N1 C1 C2 C3 179(100) . . . . ?
N2 C1 C2 C3 -3(6) . . . . ?
Ce1 C1 C2 C3 11(11) . . . . ?
C1 C2 C3 C4 -1(10) . . . . ?
C2 C3 C4 C6 11(6) . . . . ?
C2 C3 C4 C5 -56(6) . . . . ?
C3 C4 C5 C6 106.3(4) . . . . ?
C3 C4 C6 C5 -107.4(4) . . . . ?
C1 N1 C7 C8 64.6(6) . . . . ?
Ce1 N1 C7 C8 -111.8(6) . . . . ?
C1 N1 C7 C12 -73.6(6) . . . . ?
Ce1 N1 C7 C12 110.0(5) . . . . ?
N1 C7 C8 C9 166.5(5) . . . . ?
C12 C7 C8 C9 -56.3(6) . . . . ?
C7 C8 C9 C10 59.5(7) . . . . ?
C8 C9 C10 C11 -59.2(8) . . . . ?
C9 C10 C11 C12 53.8(7) . . . . ?
C8 C7 C12 C11 51.0(6) . . . . ?
N1 C7 C12 C11 -170.8(5) . . . . ?
C10 C11 C12 C7 -48.1(7) . . . . ?
C1 N2 C13 C18 -150.2(4) . . . . ?
Ce1 N2 C13 C18 37.1(6) . . . . ?
C1 N2 C13 C14 85.8(5) . . . . ?
Ce1 N2 C13 C14 -86.9(5) . . . . ?
N2 C13 C14 C15 177.2(4) . . . . ?
C18 C13 C14 C15 53.2(6) . . . . ?
C13 C14 C15 C16 -54.6(6) . . . . ?
C14 C15 C16 C17 56.2(7) . . . . ?
C15 C16 C17 C18 -55.9(6) . . . . ?
N2 C13 C18 C17 -179.9(4) . . . . ?
C14 C13 C18 C17 -55.1(5) . . . . ?
C16 C17 C18 C13 56.9(6) . . . . ?
C31 N4 C19 N3 -174.4(4) . . . . ?
Ce1 N4 C19 N3 8.5(4) . . . . ?
C31 N4 C19 C20 7.5(6) . . . . ?
Ce1 N4 C19 C20 -169.6(3) . . . . ?
C31 N4 C19 Ce1 177.1(4) . . . . ?
C25 N3 C19 N4 177.2(4) . . . . ?
Ce1 N3 C19 N4 -8.2(4) . . . . ?
C25 N3 C19 C20 -4.7(6) . . . . ?
Ce1 N3 C19 C20 169.9(4) . . . . ?
C25 N3 C19 Ce1 -174.6(4) . . . . ?
N2 Ce1 C19 N4 103.1(3) . . . . ?
N1 Ce1 C19 N4 45.5(3) . . . . ?
N3 Ce1 C19 N4 171.4(4) . . . . ?
C80 Ce1 C19 N4 -108.9(4) . . . . ?
C74 Ce1 C19 N4 -50.3(3) . . . . ?
C73 Ce1 C19 N4 -50.4(4) . . . . ?
C1 Ce1 C19 N4 74.1(3) . . . . ?
C79 Ce1 C19 N4 -144.4(3) . . . . ?
C75 Ce1 C19 N4 -67.0(3) . . . . ?
C78 Ce1 C19 N4 -138.5(3) . . . . ?
N4 Ce1 C19 N3 -171.4(4) . . . . ?
N2 Ce1 C19 N3 -68.3(3) . . . . ?
N1 Ce1 C19 N3 -125.9(3) . . . . ?
C80 Ce1 C19 N3 79.7(5) . . . . ?
C74 Ce1 C19 N3 138.3(3) . . . . ?
C73 Ce1 C19 N3 138.1(3) . . . . ?
C1 Ce1 C19 N3 -97.3(3) . . . . ?
C79 Ce1 C19 N3 44.2(3) . . . . ?
C75 Ce1 C19 N3 121.5(3) . . . . ?
C78 Ce1 C19 N3 50.1(3) . . . . ?
N4 Ce1 C19 C20 78.2(18) . . . . ?
N2 Ce1 C19 C20 -178.7(18) . . . . ?
N1 Ce1 C19 C20 123.7(18) . . . . ?
N3 Ce1 C19 C20 -110.4(19) . . . . ?
C80 Ce1 C19 C20 -31(2) . . . . ?
C74 Ce1 C19 C20 27.9(19) . . . . ?
C73 Ce1 C19 C20 27.8(19) . . . . ?
C1 Ce1 C19 C20 152.3(18) . . . . ?
C79 Ce1 C19 C20 -66.2(19) . . . . ?
C75 Ce1 C19 C20 11.2(18) . . . . ?
C78 Ce1 C19 C20 -60.3(19) . . . . ?
N4 C19 C20 C21 28(5) . . . . ?
N3 C19 C20 C21 -150(5) . . . . ?
Ce1 C19 C20 C21 -44(6) . . . . ?
C19 C20 C21 C22 75(54) . . . . ?
C20 C21 C22 C24 100(53) . . . . ?
C20 C21 C22 C23 31(54) . . . . ?
C21 C22 C23 C24 108.7(6) . . . . ?
C21 C22 C24 C23 -107.9(5) . . . . ?
C19 N3 C25 C26 160.1(4) . . . . ?
Ce1 N3 C25 C26 -9.5(8) . . . . ?
C19 N3 C25 C30 -76.8(5) . . . . ?
Ce1 N3 C25 C30 113.7(5) . . . . ?
N3 C25 C26 C27 178.5(4) . . . . ?
C30 C25 C26 C27 54.9(6) . . . . ?
C25 C26 C27 C28 -55.4(6) . . . . ?
C26 C27 C28 C29 56.3(6) . . . . ?
C27 C28 C29 C30 -57.9(6) . . . . ?
C28 C29 C30 C25 57.5(6) . . . . ?
N3 C25 C30 C29 -178.3(4) . . . . ?
C26 C25 C30 C29 -55.2(6) . . . . ?
C19 N4 C31 C36 -160.0(4) . . . . ?
Ce1 N4 C31 C36 15.2(6) . . . . ?
C19 N4 C31 C32 78.0(5) . . . . ?
Ce1 N4 C31 C32 -106.8(5) . . . . ?
N4 C31 C32 C33 177.2(3) . . . . ?
C36 C31 C32 C33 55.0(5) . . . . ?
C31 C32 C33 C34 -57.8(5) . . . . ?
C32 C33 C34 C35 57.6(5) . . . . ?
C33 C34 C35 C36 -55.2(5) . . . . ?
N4 C31 C36 C35 -174.0(4) . . . . ?
C32 C31 C36 C35 -52.8(5) . . . . ?
C34 C35 C36 C31 53.8(5) . . . . ?
C49 N6 C37 N5 175.6(3) . . . . ?
Ce2 N6 C37 N5 -6.6(4) . . . . ?
C49 N6 C37 C38 -7.8(6) . . . . ?
Ce2 N6 C37 C38 170.0(3) . . . . ?
C49 N6 C37 Ce2 -177.7(4) . . . . ?
C43 N5 C37 N6 177.9(4) . . . . ?
Ce2 N5 C37 N6 6.8(4) . . . . ?
C43 N5 C37 C38 1.2(6) . . . . ?
Ce2 N5 C37 C38 -169.9(3) . . . . ?
C43 N5 C37 Ce2 171.1(4) . . . . ?
N5 Ce2 C37 N6 -173.1(4) . . . . ?
N8 Ce2 C37 N6 66.3(3) . . . . ?
N7 Ce2 C37 N6 123.6(2) . . . . ?
C73 Ce2 C37 N6 -35.2(3) . . . . ?
C79 Ce2 C37 N6 -75.1(3) . . . . ?
C75 Ce2 C37 N6 -116.9(4) . . . . ?
C80 Ce2 C37 N6 -50.4(3) . . . . ?
C74 Ce2 C37 N6 -39.1(4) . . . . ?
C55 Ce2 C37 N6 95.4(3) . . . . ?
C77 Ce2 C37 N6 -125.3(2) . . . . ?
C76 Ce2 C37 N6 -135.4(2) . . . . ?
N8 Ce2 C37 N5 -120.6(3) . . . . ?
N7 Ce2 C37 N5 -63.3(3) . . . . ?
N6 Ce2 C37 N5 173.1(4) . . . . ?
C73 Ce2 C37 N5 137.8(2) . . . . ?
C79 Ce2 C37 N5 97.9(3) . . . . ?
C75 Ce2 C37 N5 56.2(5) . . . . ?
C80 Ce2 C37 N5 122.6(2) . . . . ?
C74 Ce2 C37 N5 134.0(3) . . . . ?
C55 Ce2 C37 N5 -91.5(3) . . . . ?
C77 Ce2 C37 N5 47.8(3) . . . . ?
C76 Ce2 C37 N5 37.6(3) . . . . ?
N5 Ce2 C37 C38 80.2(19) . . . . ?
N8 Ce2 C37 C38 -40.4(19) . . . . ?
N7 Ce2 C37 C38 16.9(19) . . . . ?
N6 Ce2 C37 C38 -106.7(19) . . . . ?
C73 Ce2 C37 C38 -142.0(19) . . . . ?
C79 Ce2 C37 C38 178.2(19) . . . . ?
C75 Ce2 C37 C38 136.4(18) . . . . ?
C80 Ce2 C37 C38 -157.1(19) . . . . ?
C74 Ce2 C37 C38 -145.8(18) . . . . ?
C55 Ce2 C37 C38 -11.3(19) . . . . ?
C77 Ce2 C37 C38 128.0(19) . . . . ?
C76 Ce2 C37 C38 117.9(19) . . . . ?
N6 C37 C38 C39 -143(2) . . . . ?
N5 C37 C38 C39 33(3) . . . . ?
Ce2 C37 C38 C39 -42(4) . . . . ?
C37 C38 C39 C40 2(8) . . . . ?
C38 C39 C40 C42 13(6) . . . . ?
C38 C39 C40 C41 -55(6) . . . . ?
C39 C40 C41 C42 106.6(5) . . . . ?
C39 C40 C42 C41 -108.3(5) . . . . ?
C37 N5 C43 C44 -88.8(5) . . . . ?
Ce2 N5 C43 C44 75.7(5) . . . . ?
C37 N5 C43 C48 147.3(4) . . . . ?
Ce2 N5 C43 C48 -48.2(6) . . . . ?
N5 C43 C44 C45 -177.0(4) . . . . ?
C48 C43 C44 C45 -53.1(5) . . . . ?
C43 C44 C45 C46 53.1(6) . . . . ?
C44 C45 C46 C47 -54.5(6) . . . . ?
C45 C46 C47 C48 56.7(5) . . . . ?
C46 C47 C48 C43 -56.7(5) . . . . ?
N5 C43 C48 C47 178.7(4) . . . . ?
C44 C43 C48 C47 54.7(5) . . . . ?
C37 N6 C49 C50 85.9(5) . . . . ?
Ce2 N6 C49 C50 -89.9(5) . . . . ?
C37 N6 C49 C54 -151.0(4) . . . . ?
Ce2 N6 C49 C54 33.3(6) . . . . ?
N6 C49 C50 C51 179.4(3) . . . . ?
C54 C49 C50 C51 56.4(4) . . . . ?
C49 C50 C51 C52 -55.4(5) . . . . ?
C50 C51 C52 C53 54.3(5) . . . . ?
C51 C52 C53 C54 -54.6(5) . . . . ?
N6 C49 C54 C53 178.3(3) . . . . ?
C50 C49 C54 C53 -57.2(4) . . . . ?
C52 C53 C54 C49 56.5(5) . . . . ?
C67 N7 C55 N8 -176.9(4) . . . . ?
Ce2 N7 C55 N8 16.7(4) . . . . ?
C67 N7 C55 C56 5.3(6) . . . . ?
Ce2 N7 C55 C56 -161.1(3) . . . . ?
C67 N7 C55 Ce2 166.4(4) . . . . ?
C61 N8 C55 N7 175.5(4) . . . . ?
Ce2 N8 C55 N7 -16.7(4) . . . . ?
C61 N8 C55 C56 -6.6(6) . . . . ?
Ce2 N8 C55 C56 161.2(3) . . . . ?
C61 N8 C55 Ce2 -167.8(4) . . . . ?
N5 Ce2 C55 N7 49.5(3) . . . . ?
N8 Ce2 C55 N7 162.7(4) . . . . ?
N6 Ce2 C55 N7 109.1(3) . . . . ?
C73 Ce2 C55 N7 -139.9(3) . . . . ?
C79 Ce2 C55 N7 -123.9(3) . . . . ?
C75 Ce2 C55 N7 -90.8(3) . . . . ?
C80 Ce2 C55 N7 -147.1(2) . . . . ?
C74 Ce2 C55 N7 -119.1(3) . . . . ?
C77 Ce2 C55 N7 -54.8(3) . . . . ?
C76 Ce2 C55 N7 -67.2(3) . . . . ?
N5 Ce2 C55 N8 -113.2(3) . . . . ?
N7 Ce2 C55 N8 -162.7(4) . . . . ?
N6 Ce2 C55 N8 -53.6(3) . . . . ?
C73 Ce2 C55 N8 57.4(3) . . . . ?
C79 Ce2 C55 N8 73.4(4) . . . . ?
C75 Ce2 C55 N8 106.5(3) . . . . ?
C80 Ce2 C55 N8 50.2(3) . . . . ?
C74 Ce2 C55 N8 78.1(3) . . . . ?
C77 Ce2 C55 N8 142.5(3) . . . . ?
C76 Ce2 C55 N8 130.0(3) . . . . ?
N5 Ce2 C55 C56 150.9(10) . . . . ?
N8 Ce2 C55 C56 -95.9(11) . . . . ?
N7 Ce2 C55 C56 101.4(11) . . . . ?
N6 Ce2 C55 C56 -149.5(10) . . . . ?
C73 Ce2 C55 C56 -38.5(11) . . . . ?
C79 Ce2 C55 C56 -22.5(12) . . . . ?
C75 Ce2 C55 C56 10.6(10) . . . . ?
C80 Ce2 C55 C56 -45.7(11) . . . . ?
C74 Ce2 C55 C56 -17.8(10) . . . . ?
C77 Ce2 C55 C56 46.6(11) . . . . ?
C76 Ce2 C55 C56 34.1(11) . . . . ?
N7 C55 C56 C57 105(11) . . . . ?
N8 C55 C56 C57 -72(11) . . . . ?
Ce2 C55 C56 C57 14(11) . . . . ?
C55 C56 C57 C58 91(37) . . . . ?
C56 C57 C58 C60 139(35) . . . . ?
C56 C57 C58 C59 -151(35) . . . . ?
C57 C58 C59 C60 -110.4(6) . . . . ?
C57 C58 C60 C59 107.8(6) . . . . ?
C55 N8 C61 C62 -88.6(5) . . . . ?
Ce2 N8 C61 C62 114.6(5) . . . . ?
C55 N8 C61 C66 149.8(4) . . . . ?
Ce2 N8 C61 C66 -7.1(7) . . . . ?
N8 C61 C62 C63 178.8(4) . . . . ?
C66 C61 C62 C63 -58.0(5) . . . . ?
C61 C62 C63 C64 56.4(6) . . . . ?
C62 C63 C64 C65 -54.3(6) . . . . ?
C63 C64 C65 C66 56.1(6) . . . . ?
C64 C65 C66 C61 -58.3(5) . . . . ?
N8 C61 C66 C65 -179.7(4) . . . . ?
C62 C61 C66 C65 58.0(5) . . . . ?
C55 N7 C67 C72 79.0(5) . . . . ?
Ce2 N7 C67 C72 -126.8(5) . . . . ?
C55 N7 C67 C68 -158.4(4) . . . . ?
Ce2 N7 C67 C68 -4.2(7) . . . . ?
N7 C67 C68 C69 -176.3(4) . . . . ?
C72 C67 C68 C69 -53.8(5) . . . . ?
C67 C68 C69 C70 54.2(5) . . . . ?
C68 C69 C70 C71 -54.9(6) . . . . ?
C69 C70 C71 C72 56.0(6) . . . . ?
N7 C67 C72 C71 178.5(4) . . . . ?
C68 C67 C72 C71 55.6(5) . . . . ?
C70 C71 C72 C67 -57.3(6) . . . . ?
N5 Ce2 C73 C80 -2.6(4) . . . . ?
N8 Ce2 C73 C80 -145.5(3) . . . . ?
N7 Ce2 C73 C80 171.2(2) . . . . ?
N6 Ce2 C73 C80 -48.4(3) . . . . ?
C79 Ce2 C73 C80 19.9(2) . . . . ?
C75 Ce2 C73 C80 123.8(3) . . . . ?
C74 Ce2 C73 C80 143.6(4) . . . . ?
C55 Ce2 C73 C80 -168.3(2) . . . . ?
C77 Ce2 C73 C80 72.2(2) . . . . ?
C76 Ce2 C73 C80 99.9(3) . . . . ?
N5 Ce2 C73 C74 -146.3(2) . . . . ?
N8 Ce2 C73 C74 70.8(3) . . . . ?
N7 Ce2 C73 C74 27.5(3) . . . . ?
N6 Ce2 C73 C74 168.0(2) . . . . ?
C79 Ce2 C73 C74 -123.7(3) . . . . ?
C75 Ce2 C73 C74 -19.8(2) . . . . ?
C80 Ce2 C73 C74 -143.6(4) . . . . ?
C55 Ce2 C73 C74 48.0(3) . . . . ?
C77 Ce2 C73 C74 -71.4(3) . . . . ?
C76 Ce2 C73 C74 -43.8(3) . . . . ?
N5 Ce2 C73 Ce1 -74.4(2) . . . . ?
N8 Ce2 C73 Ce1 142.70(16) . . . . ?
N7 Ce2 C73 Ce1 99.39(16) . . . . ?
N6 Ce2 C73 Ce1 -120.15(14) . . . . ?
C79 Ce2 C73 Ce1 -51.84(14) . . . . ?
C75 Ce2 C73 Ce1 52.08(16) . . . . ?
C80 Ce2 C73 Ce1 -71.8(2) . . . . ?
C74 Ce2 C73 Ce1 71.9(3) . . . . ?
C55 Ce2 C73 Ce1 119.90(14) . . . . ?
C77 Ce2 C73 Ce1 0.48(15) . . . . ?
C76 Ce2 C73 Ce1 28.10(15) . . . . ?
N4 Ce1 C73 C80 -171.2(2) . . . . ?
N2 Ce1 C73 C80 60.0(3) . . . . ?
N1 Ce1 C73 C80 107.0(3) . . . . ?
N3 Ce1 C73 C80 -89.3(4) . . . . ?
C74 Ce1 C73 C80 -145.9(4) . . . . ?
C19 Ce1 C73 C80 -145.6(3) . . . . ?
C1 Ce1 C73 C80 84.1(3) . . . . ?
C79 Ce1 C73 C80 -21.0(2) . . . . ?
C75 Ce1 C73 C80 -124.8(3) . . . . ?
C78 Ce1 C73 C80 -45.1(3) . . . . ?
N4 Ce1 C73 C74 -25.3(3) . . . . ?
N2 Ce1 C73 C74 -154.0(2) . . . . ?
N1 Ce1 C73 C74 -107.1(3) . . . . ?
N3 Ce1 C73 C74 56.6(5) . . . . ?
C80 Ce1 C73 C74 145.9(4) . . . . ?
C19 Ce1 C73 C74 0.3(4) . . . . ?
C1 Ce1 C73 C74 -130.0(3) . . . . ?
C79 Ce1 C73 C74 124.9(3) . . . . ?
C75 Ce1 C73 C74 21.2(2) . . . . ?
C78 Ce1 C73 C74 100.8(3) . . . . ?
N4 Ce1 C73 Ce2 -98.37(17) . . . . ?
N2 Ce1 C73 Ce2 132.85(14) . . . . ?
N1 Ce1 C73 Ce2 179.82(17) . . . . ?
N3 Ce1 C73 Ce2 -16.5(4) . . . . ?
C80 Ce1 C73 Ce2 72.8(3) . . . . ?
C74 Ce1 C73 Ce2 -73.1(3) . . . . ?
C19 Ce1 C73 Ce2 -72.8(3) . . . . ?
C1 Ce1 C73 Ce2 156.93(16) . . . . ?
C79 Ce1 C73 Ce2 51.78(15) . . . . ?
C75 Ce1 C73 Ce2 -51.95(15) . . . . ?
C78 Ce1 C73 Ce2 27.70(14) . . . . ?
C80 C73 C74 C75 -4.9(9) . . . . ?
Ce2 C73 C74 C75 50.9(5) . . . . ?
Ce1 C73 C74 C75 -55.9(5) . . . . ?
C80 C73 C74 Ce1 51.0(5) . . . . ?
Ce2 C73 C74 Ce1 106.87(10) . . . . ?
C80 C73 C74 Ce2 -55.8(5) . . . . ?
Ce1 C73 C74 Ce2 -106.87(10) . . . . ?
N4 Ce1 C74 C73 159.4(3) . . . . ?
N2 Ce1 C74 C73 32.4(3) . . . . ?
N1 Ce1 C74 C73 68.0(3) . . . . ?
N3 Ce1 C74 C73 -153.4(2) . . . . ?
C80 Ce1 C74 C73 -19.2(2) . . . . ?
C19 Ce1 C74 C73 -179.8(2) . . . . ?
C1 Ce1 C74 C73 53.0(3) . . . . ?
C79 Ce1 C74 C73 -43.7(2) . . . . ?
C75 Ce1 C74 C73 -142.3(4) . . . . ?
C78 Ce1 C74 C73 -71.8(3) . . . . ?
N4 Ce1 C74 C75 -58.3(3) . . . . ?
N2 Ce1 C74 C75 174.7(2) . . . . ?
N1 Ce1 C74 C75 -149.7(3) . . . . ?
N3 Ce1 C74 C75 -11.1(3) . . . . ?
C80 Ce1 C74 C75 123.1(3) . . . . ?
C73 Ce1 C74 C75 142.3(4) . . . . ?
C19 Ce1 C74 C75 -37.5(3) . . . . ?
C1 Ce1 C74 C75 -164.7(2) . . . . ?
C79 Ce1 C74 C75 98.6(3) . . . . ?
C78 Ce1 C74 C75 70.5(3) . . . . ?
N4 Ce1 C74 Ce2 -130.16(15) . . . . ?
N2 Ce1 C74 Ce2 102.84(17) . . . . ?
N1 Ce1 C74 Ce2 138.49(16) . . . . ?
N3 Ce1 C74 Ce2 -83.0(2) . . . . ?
C80 Ce1 C74 Ce2 51.29(15) . . . . ?
C73 Ce1 C74 Ce2 70.5(2) . . . . ?
C19 Ce1 C74 Ce2 -109.33(15) . . . . ?
C1 Ce1 C74 Ce2 123.49(15) . . . . ?
C79 Ce1 C74 Ce2 26.79(14) . . . . ?
C75 Ce1 C74 Ce2 -71.8(2) . . . . ?
C78 Ce1 C74 Ce2 -1.32(15) . . . . ?
N5 Ce2 C74 C73 78.6(5) . . . . ?
N8 Ce2 C74 C73 -105.8(3) . . . . ?
N7 Ce2 C74 C73 -156.9(3) . . . . ?
N6 Ce2 C74 C73 -15.5(3) . . . . ?
C79 Ce2 C74 C73 44.8(2) . . . . ?
C75 Ce2 C74 C73 144.8(4) . . . . ?
C80 Ce2 C74 C73 20.5(2) . . . . ?
C55 Ce2 C74 C73 -133.1(3) . . . . ?
C77 Ce2 C74 C73 101.5(3) . . . . ?
C76 Ce2 C74 C73 124.8(3) . . . . ?
N5 Ce2 C74 C75 -66.2(5) . . . . ?
N8 Ce2 C74 C75 109.4(3) . . . . ?
N7 Ce2 C74 C75 58.3(3) . . . . ?
N6 Ce2 C74 C75 -160.3(2) . . . . ?
C73 Ce2 C74 C75 -144.8(4) . . . . ?
C79 Ce2 C74 C75 -100.0(3) . . . . ?
C80 Ce2 C74 C75 -124.3(3) . . . . ?
C55 Ce2 C74 C75 82.1(3) . . . . ?
C77 Ce2 C74 C75 -43.3(3) . . . . ?
C76 Ce2 C74 C75 -20.0(2) . . . . ?
N5 Ce2 C74 Ce1 6.8(5) . . . . ?
N8 Ce2 C74 Ce1 -177.58(17) . . . . ?
N7 Ce2 C74 Ce1 131.34(14) . . . . ?
N6 Ce2 C74 Ce1 -87.22(18) . . . . ?
C73 Ce2 C74 Ce1 -71.8(2) . . . . ?
C79 Ce2 C74 Ce1 -26.97(14) . . . . ?
C75 Ce2 C74 Ce1 73.0(3) . . . . ?
C80 Ce2 C74 Ce1 -51.29(14) . . . . ?
C55 Ce2 C74 Ce1 155.12(16) . . . . ?
C77 Ce2 C74 Ce1 29.70(14) . . . . ?
C76 Ce2 C74 Ce1 53.05(15) . . . . ?
C73 C74 C75 C76 4.1(9) . . . . ?
Ce1 C74 C75 C76 -51.6(5) . . . . ?
Ce2 C74 C75 C76 54.7(5) . . . . ?
C73 C74 C75 Ce2 -50.6(5) . . . . ?
Ce1 C74 C75 Ce2 -106.23(11) . . . . ?
C73 C74 C75 Ce1 55.6(5) . . . . ?
Ce2 C74 C75 Ce1 106.23(11) . . . . ?
N5 Ce2 C75 C76 6.8(3) . . . . ?
N8 Ce2 C75 C76 148.1(3) . . . . ?
N7 Ce2 C75 C76 94.4(3) . . . . ?
N6 Ce2 C75 C76 -105.9(4) . . . . ?
C73 Ce2 C75 C76 -124.4(3) . . . . ?
C79 Ce2 C75 C76 -71.6(3) . . . . ?
C80 Ce2 C75 C76 -99.9(3) . . . . ?
C74 Ce2 C75 C76 -144.2(4) . . . . ?
C55 Ce2 C75 C76 122.0(3) . . . . ?
C77 Ce2 C75 C76 -18.9(2) . . . . ?
N5 Ce2 C75 C74 151.0(3) . . . . ?
N8 Ce2 C75 C74 -67.7(3) . . . . ?
N7 Ce2 C75 C74 -121.4(3) . . . . ?
N6 Ce2 C75 C74 38.3(5) . . . . ?
C73 Ce2 C75 C74 19.8(2) . . . . ?
C79 Ce2 C75 C74 72.6(3) . . . . ?
C80 Ce2 C75 C74 44.3(3) . . . . ?
C55 Ce2 C75 C74 -93.8(3) . . . . ?
C77 Ce2 C75 C74 125.3(3) . . . . ?
C76 Ce2 C75 C74 144.2(4) . . . . ?
N5 Ce2 C75 Ce1 80.0(2) . . . . ?
N8 Ce2 C75 Ce1 -138.69(16) . . . . ?
N7 Ce2 C75 Ce1 167.58(16) . . . . ?
N6 Ce2 C75 Ce1 -32.7(4) . . . . ?
C73 Ce2 C75 Ce1 -51.19(13) . . . . ?
C79 Ce2 C75 Ce1 1.63(15) . . . . ?
C80 Ce2 C75 Ce1 -26.72(15) . . . . ?
C74 Ce2 C75 Ce1 -71.0(2) . . . . ?
C55 Ce2 C75 Ce1 -164.84(16) . . . . ?
C77 Ce2 C75 Ce1 54.32(15) . . . . ?
C76 Ce2 C75 Ce1 73.2(3) . . . . ?
N4 Ce1 C75 C76 -91.8(2) . . . . ?
N2 Ce1 C75 C76 135.7(3) . . . . ?
N1 Ce1 C75 C76 177.8(2) . . . . ?
N3 Ce1 C75 C76 -42.3(3) . . . . ?
C80 Ce1 C75 C76 100.4(3) . . . . ?
C74 Ce1 C75 C76 145.7(4) . . . . ?
C73 Ce1 C75 C76 124.6(3) . . . . ?
C19 Ce1 C75 C76 -66.8(2) . . . . ?
C1 Ce1 C75 C76 166.2(2) . . . . ?
C79 Ce1 C75 C76 72.0(2) . . . . ?
C78 Ce1 C75 C76 43.8(2) . . . . ?
N4 Ce1 C75 C74 122.4(3) . . . . ?
N2 Ce1 C75 C74 -10.0(4) . . . . ?
N1 Ce1 C75 C74 32.1(3) . . . . ?
N3 Ce1 C75 C74 171.9(2) . . . . ?
C80 Ce1 C75 C74 -45.3(3) . . . . ?
C73 Ce1 C75 C74 -21.2(2) . . . . ?
C19 Ce1 C75 C74 147.4(3) . . . . ?
C1 Ce1 C75 C74 20.4(3) . . . . ?
C79 Ce1 C75 C74 -73.8(3) . . . . ?
C78 Ce1 C75 C74 -102.0(3) . . . . ?
N4 Ce1 C75 Ce2 -165.41(17) . . . . ?
N2 Ce1 C75 Ce2 62.1(4) . . . . ?
N1 Ce1 C75 Ce2 104.21(15) . . . . ?
N3 Ce1 C75 Ce2 -115.92(14) . . . . ?
C80 Ce1 C75 Ce2 26.85(15) . . . . ?
C74 Ce1 C75 Ce2 72.1(2) . . . . ?
C73 Ce1 C75 Ce2 50.99(13) . . . . ?
C19 Ce1 C75 Ce2 -140.43(15) . . . . ?
C1 Ce1 C75 Ce2 92.6(2) . . . . ?
C79 Ce1 C75 Ce2 -1.62(15) . . . . ?
C78 Ce1 C75 Ce2 -29.82(14) . . . . ?
C74 C75 C76 C77 -3.7(9) . . . . ?
Ce2 C75 C76 C77 50.7(5) . . . . ?
Ce1 C75 C76 C77 -54.6(5) . . . . ?
C74 C75 C76 Ce2 -54.4(5) . . . . ?
Ce1 C75 C76 Ce2 -105.36(10) . . . . ?
C74 C75 C76 Ce1 51.0(5) . . . . ?
Ce2 C75 C76 Ce1 105.36(10) . . . . ?
N5 Ce2 C76 C77 38.5(3) . . . . ?
N8 Ce2 C76 C77 178.9(2) . . . . ?
N7 Ce2 C76 C77 131.4(3) . . . . ?
N6 Ce2 C76 C77 -17.1(4) . . . . ?
C73 Ce2 C76 C77 -101.9(3) . . . . ?
C79 Ce2 C76 C77 -45.2(3) . . . . ?
C75 Ce2 C76 C77 -146.3(4) . . . . ?
C80 Ce2 C76 C77 -73.4(3) . . . . ?
C74 Ce2 C76 C77 -126.0(3) . . . . ?
C55 Ce2 C76 C77 156.5(3) . . . . ?
N5 Ce2 C76 C75 -175.3(2) . . . . ?
N8 Ce2 C76 C75 -34.8(3) . . . . ?
N7 Ce2 C76 C75 -82.3(3) . . . . ?
N6 Ce2 C76 C75 129.1(3) . . . . ?
C73 Ce2 C76 C75 44.4(2) . . . . ?
C79 Ce2 C76 C75 101.1(3) . . . . ?
C80 Ce2 C76 C75 72.8(3) . . . . ?
C74 Ce2 C76 C75 20.2(2) . . . . ?
C55 Ce2 C76 C75 -57.2(3) . . . . ?
C77 Ce2 C76 C75 146.3(4) . . . . ?
N5 Ce2 C76 Ce1 112.85(14) . . . . ?
N8 Ce2 C76 Ce1 -106.72(15) . . . . ?
N7 Ce2 C76 Ce1 -154.20(15) . . . . ?
N6 Ce2 C76 Ce1 57.3(3) . . . . ?
C73 Ce2 C76 Ce1 -27.51(14) . . . . ?
C79 Ce2 C76 Ce1 29.20(14) . . . . ?
C75 Ce2 C76 Ce1 -71.9(2) . . . . ?
C80 Ce2 C76 Ce1 0.94(15) . . . . ?
C74 Ce2 C76 Ce1 -51.65(14) . . . . ?
C55 Ce2 C76 Ce1 -129.09(14) . . . . ?
C77 Ce2 C76 Ce1 74.4(3) . . . . ?
N4 Ce1 C76 C77 -129.9(3) . . . . ?
N2 Ce1 C76 C77 27.3(5) . . . . ?
N1 Ce1 C76 C77 141.4(2) . . . . ?
N3 Ce1 C76 C77 -75.3(3) . . . . ?
C80 Ce1 C76 C77 72.2(3) . . . . ?
C74 Ce1 C76 C77 125.1(3) . . . . ?
C73 Ce1 C76 C77 100.4(3) . . . . ?
C19 Ce1 C76 C77 -102.7(3) . . . . ?
C1 Ce1 C76 C77 114.8(4) . . . . ?
C79 Ce1 C76 C77 44.0(3) . . . . ?
C75 Ce1 C76 C77 144.4(4) . . . . ?
C78 Ce1 C76 C77 19.8(2) . . . . ?
N4 Ce1 C76 C75 85.7(2) . . . . ?
N2 Ce1 C76 C75 -117.2(4) . . . . ?
N1 Ce1 C76 C75 -3.0(3) . . . . ?
N3 Ce1 C76 C75 140.2(2) . . . . ?
C80 Ce1 C76 C75 -72.3(3) . . . . ?
C74 Ce1 C76 C75 -19.4(2) . . . . ?
C73 Ce1 C76 C75 -44.0(2) . . . . ?
C19 Ce1 C76 C75 112.9(2) . . . . ?
C1 Ce1 C76 C75 -29.6(5) . . . . ?
C79 Ce1 C76 C75 -100.4(2) . . . . ?
C78 Ce1 C76 C75 -124.7(3) . . . . ?
N4 Ce1 C76 Ce2 157.03(15) . . . . ?
N2 Ce1 C76 Ce2 -45.8(4) . . . . ?
N1 Ce1 C76 Ce2 68.3(2) . . . . ?
N3 Ce1 C76 Ce2 -148.40(15) . . . . ?
C80 Ce1 C76 Ce2 -0.94(15) . . . . ?
C74 Ce1 C76 Ce2 51.97(14) . . . . ?
C73 Ce1 C76 Ce2 27.32(14) . . . . ?
C19 Ce1 C76 Ce2 -175.77(15) . . . . ?
C1 Ce1 C76 Ce2 41.7(4) . . . . ?
C79 Ce1 C76 Ce2 -29.06(13) . . . . ?
C75 Ce1 C76 Ce2 71.4(2) . . . . ?
C78 Ce1 C76 Ce2 -53.30(14) . . . . ?
C75 C76 C77 C78 4.1(8) . . . . ?
Ce2 C76 C77 C78 54.5(4) . . . . ?
Ce1 C76 C77 C78 -49.9(5) . . . . ?
C75 C76 C77 Ce2 -50.4(5) . . . . ?
Ce1 C76 C77 Ce2 -104.33(10) . . . . ?
C75 C76 C77 Ce1 54.0(5) . . . . ?
Ce2 C76 C77 Ce1 104.33(10) . . . . ?
N5 Ce2 C77 C76 -144.7(3) . . . . ?
N8 Ce2 C77 C76 -1.6(4) . . . . ?
N7 Ce2 C77 C76 -50.1(3) . . . . ?
N6 Ce2 C77 C76 169.7(2) . . . . ?
C73 Ce2 C77 C76 71.1(3) . . . . ?
C79 Ce2 C77 C76 123.4(3) . . . . ?
C75 Ce2 C77 C76 19.0(2) . . . . ?
C80 Ce2 C77 C76 99.4(3) . . . . ?
C74 Ce2 C77 C76 42.9(3) . . . . ?
C55 Ce2 C77 C76 -27.5(3) . . . . ?
N5 Ce2 C77 C78 72.6(3) . . . . ?
N8 Ce2 C77 C78 -144.2(3) . . . . ?
N7 Ce2 C77 C78 167.3(2) . . . . ?
N6 Ce2 C77 C78 27.1(3) . . . . ?
C73 Ce2 C77 C78 -71.5(3) . . . . ?
C79 Ce2 C77 C78 -19.3(2) . . . . ?
C75 Ce2 C77 C78 -123.7(3) . . . . ?
C80 Ce2 C77 C78 -43.2(3) . . . . ?
C74 Ce2 C77 C78 -99.7(3) . . . . ?
C55 Ce2 C77 C78 -170.1(2) . . . . ?
C76 Ce2 C77 C78 -142.6(4) . . . . ?
N5 Ce2 C77 Ce1 143.71(15) . . . . ?
N8 Ce2 C77 Ce1 -73.1(2) . . . . ?
N7 Ce2 C77 Ce1 -121.65(14) . . . . ?
N6 Ce2 C77 Ce1 98.14(16) . . . . ?
C73 Ce2 C77 Ce1 -0.46(15) . . . . ?
C79 Ce2 C77 Ce1 51.82(14) . . . . ?
C75 Ce2 C77 Ce1 -52.59(13) . . . . ?
C80 Ce2 C77 Ce1 27.83(15) . . . . ?
C74 Ce2 C77 Ce1 -28.62(14) . . . . ?
C55 Ce2 C77 Ce1 -99.03(15) . . . . ?
C76 Ce2 C77 Ce1 -71.6(2) . . . . ?
N4 Ce1 C77 C76 51.8(3) . . . . ?
N2 Ce1 C77 C76 -167.7(2) . . . . ?
N1 Ce1 C77 C76 -71.5(4) . . . . ?
N3 Ce1 C77 C76 101.9(3) . . . . ?
C80 Ce1 C77 C76 -100.7(3) . . . . ?
C74 Ce1 C77 C76 -43.8(2) . . . . ?
C73 Ce1 C77 C76 -72.2(3) . . . . ?
C19 Ce1 C77 C76 75.9(3) . . . . ?
C1 Ce1 C77 C76 -133.3(3) . . . . ?
C79 Ce1 C77 C76 -124.6(3) . . . . ?
C75 Ce1 C77 C76 -20.0(2) . . . . ?
C78 Ce1 C77 C76 -145.0(4) . . . . ?
N4 Ce1 C77 C78 -163.2(2) . . . . ?
N2 Ce1 C77 C78 -22.7(3) . . . . ?
N1 Ce1 C77 C78 73.4(4) . . . . ?
N3 Ce1 C77 C78 -113.2(3) . . . . ?
C80 Ce1 C77 C78 44.3(2) . . . . ?
C74 Ce1 C77 C78 101.2(3) . . . . ?
C73 Ce1 C77 C78 72.8(3) . . . . ?
C19 Ce1 C77 C78 -139.1(3) . . . . ?
C1 Ce1 C77 C78 11.7(4) . . . . ?
C79 Ce1 C77 C78 20.4(2) . . . . ?
C75 Ce1 C77 C78 125.0(3) . . . . ?
N4 Ce1 C77 Ce2 124.45(14) . . . . ?
N2 Ce1 C77 Ce2 -95.02(19) . . . . ?
N1 Ce1 C77 Ce2 1.1(4) . . . . ?
N3 Ce1 C77 Ce2 174.52(16) . . . . ?
C80 Ce1 C77 Ce2 -28.02(15) . . . . ?
C74 Ce1 C77 Ce2 28.86(14) . . . . ?
C73 Ce1 C77 Ce2 0.46(15) . . . . ?
C19 Ce1 C77 Ce2 148.57(15) . . . . ?
C1 Ce1 C77 Ce2 -60.6(4) . . . . ?
C79 Ce1 C77 Ce2 -51.94(14) . . . . ?
C75 Ce1 C77 Ce2 52.66(14) . . . . ?
C78 Ce1 C77 Ce2 -72.3(2) . . . . ?
C76 C77 C78 C79 -4.2(9) . . . . ?
Ce2 C77 C78 C79 50.3(5) . . . . ?
Ce1 C77 C78 C79 -54.2(5) . . . . ?
C76 C77 C78 Ce2 -54.5(5) . . . . ?
Ce1 C77 C78 Ce2 -104.54(11) . . . . ?
C76 C77 C78 Ce1 50.0(5) . . . . ?
Ce2 C77 C78 Ce1 104.54(11) . . . . ?
N5 Ce2 C78 C79 109.1(3) . . . . ?
N8 Ce2 C78 C79 -70.0(4) . . . . ?
N7 Ce2 C78 C79 -162.1(2) . . . . ?
N6 Ce2 C78 C79 57.1(3) . . . . ?
C73 Ce2 C78 C79 -44.4(2) . . . . ?
C75 Ce2 C78 C79 -101.1(3) . . . . ?
C80 Ce2 C78 C79 -20.1(2) . . . . ?
C74 Ce2 C78 C79 -72.8(3) . . . . ?
C55 Ce2 C78 C79 -129.4(3) . . . . ?
C77 Ce2 C78 C79 -145.7(4) . . . . ?
C76 Ce2 C78 C79 -124.9(3) . . . . ?
N5 Ce2 C78 C77 -105.2(3) . . . . ?
N8 Ce2 C78 C77 75.7(4) . . . . ?
N7 Ce2 C78 C77 -16.4(3) . . . . ?
N6 Ce2 C78 C77 -157.1(3) . . . . ?
C73 Ce2 C78 C77 101.4(3) . . . . ?
C79 Ce2 C78 C77 145.7(4) . . . . ?
C75 Ce2 C78 C77 44.6(3) . . . . ?
C80 Ce2 C78 C77 125.6(3) . . . . ?
C74 Ce2 C78 C77 72.9(3) . . . . ?
C55 Ce2 C78 C77 16.3(4) . . . . ?
C76 Ce2 C78 C77 20.8(2) . . . . ?
N5 Ce2 C78 Ce1 -179.38(16) . . . . ?
N8 Ce2 C78 Ce1 1.5(4) . . . . ?
N7 Ce2 C78 Ce1 -90.59(18) . . . . ?
N6 Ce2 C78 Ce1 128.64(14) . . . . ?
C73 Ce2 C78 Ce1 27.14(14) . . . . ?
C79 Ce2 C78 Ce1 71.5(2) . . . . ?
C75 Ce2 C78 Ce1 -29.61(13) . . . . ?
C80 Ce2 C78 Ce1 51.41(15) . . . . ?
C74 Ce2 C78 Ce1 -1.30(14) . . . . ?
C55 Ce2 C78 Ce1 -57.9(3) . . . . ?
C77 Ce2 C78 Ce1 -74.2(2) . . . . ?
C76 Ce2 C78 Ce1 -53.43(14) . . . . ?
N4 Ce1 C78 C79 165.1(2) . . . . ?
N2 Ce1 C78 C79 -53.1(3) . . . . ?
N1 Ce1 C78 C79 2.9(3) . . . . ?
N3 Ce1 C78 C79 -151.0(3) . . . . ?
C80 Ce1 C78 C79 19.4(2) . . . . ?
C74 Ce1 C78 C79 72.3(3) . . . . ?
C73 Ce1 C78 C79 44.0(3) . . . . ?
C19 Ce1 C78 C79 -171.7(2) . . . . ?
C1 Ce1 C78 C79 -29.9(3) . . . . ?
C75 Ce1 C78 C79 100.4(3) . . . . ?
N4 Ce1 C78 C77 21.4(3) . . . . ?
N2 Ce1 C78 C77 163.1(2) . . . . ?
N1 Ce1 C78 C77 -140.8(3) . . . . ?
N3 Ce1 C78 C77 65.3(3) . . . . ?
C80 Ce1 C78 C77 -124.4(3) . . . . ?
C74 Ce1 C78 C77 -71.5(3) . . . . ?
C73 Ce1 C78 C77 -99.7(3) . . . . ?
C19 Ce1 C78 C77 44.5(3) . . . . ?
C1 Ce1 C78 C77 -173.7(2) . . . . ?
C79 Ce1 C78 C77 -143.7(4) . . . . ?
C75 Ce1 C78 C77 -43.4(2) . . . . ?
N4 Ce1 C78 Ce2 94.18(17) . . . . ?
N2 Ce1 C78 Ce2 -124.08(14) . . . . ?
N1 Ce1 C78 Ce2 -68.0(2) . . . . ?
N3 Ce1 C78 Ce2 138.09(15) . . . . ?
C80 Ce1 C78 Ce2 -51.58(15) . . . . ?
C74 Ce1 C78 Ce2 1.30(14) . . . . ?
C73 Ce1 C78 Ce2 -26.94(13) . . . . ?
C19 Ce1 C78 Ce2 117.32(14) . . . . ?
C1 Ce1 C78 Ce2 -100.88(17) . . . . ?
C79 Ce1 C78 Ce2 -70.9(2) . . . . ?
C75 Ce1 C78 Ce2 29.41(13) . . . . ?
C77 C78 C79 C80 3.6(9) . . . . ?
Ce2 C78 C79 C80 54.2(5) . . . . ?
Ce1 C78 C79 C80 -51.4(5) . . . . ?
C77 C78 C79 Ce2 -50.7(5) . . . . ?
Ce1 C78 C79 Ce2 -105.65(10) . . . . ?
C77 C78 C79 Ce1 55.0(5) . . . . ?
Ce2 C78 C79 Ce1 105.65(10) . . . . ?
N5 Ce2 C79 C80 146.6(3) . . . . ?
N8 Ce2 C79 C80 2.3(3) . . . . ?
N7 Ce2 C79 C80 -109.1(4) . . . . ?
N6 Ce2 C79 C80 93.4(3) . . . . ?
C73 Ce2 C79 C80 -20.0(2) . . . . ?
C75 Ce2 C79 C80 -72.8(3) . . . . ?
C74 Ce2 C79 C80 -44.5(3) . . . . ?
C55 Ce2 C79 C80 -39.5(4) . . . . ?
C77 Ce2 C79 C80 -125.0(3) . . . . ?
C76 Ce2 C79 C80 -100.8(3) . . . . ?
N5 Ce2 C79 C78 -69.1(2) . . . . ?
N8 Ce2 C79 C78 146.6(2) . . . . ?
N7 Ce2 C79 C78 35.1(4) . . . . ?
N6 Ce2 C79 C78 -122.3(3) . . . . ?
C73 Ce2 C79 C78 124.3(3) . . . . ?
C75 Ce2 C79 C78 71.4(2) . . . . ?
C80 Ce2 C79 C78 144.3(4) . . . . ?
C74 Ce2 C79 C78 99.8(3) . . . . ?
C55 Ce2 C79 C78 104.8(3) . . . . ?
C77 Ce2 C79 C78 19.3(2) . . . . ?
C76 Ce2 C79 C78 43.5(2) . . . . ?
N5 Ce2 C79 Ce1 -142.23(15) . . . . ?
N8 Ce2 C79 Ce1 73.5(2) . . . . ?
N7 Ce2 C79 Ce1 -37.9(4) . . . . ?
N6 Ce2 C79 Ce1 164.65(16) . . . . ?
C73 Ce2 C79 Ce1 51.21(15) . . . . ?
C75 Ce2 C79 Ce1 -1.64(15) . . . . ?
C80 Ce2 C79 Ce1 71.2(2) . . . . ?
C74 Ce2 C79 Ce1 26.74(14) . . . . ?
C55 Ce2 C79 Ce1 31.7(4) . . . . ?
C77 Ce2 C79 Ce1 -53.77(15) . . . . ?
C76 Ce2 C79 Ce1 -29.56(14) . . . . ?
N4 Ce1 C79 C80 116.6(4) . . . . ?
N2 Ce1 C79 C80 -83.9(3) . . . . ?
N1 Ce1 C79 C80 -32.3(3) . . . . ?
N3 Ce1 C79 C80 178.4(3) . . . . ?
C74 Ce1 C79 C80 45.2(3) . . . . ?
C73 Ce1 C79 C80 21.1(2) . . . . ?
C19 Ce1 C79 C80 157.3(2) . . . . ?
C1 Ce1 C79 C80 -58.6(3) . . . . ?
C75 Ce1 C79 C80 73.7(3) . . . . ?
C78 Ce1 C79 C80 145.6(4) . . . . ?
N4 Ce1 C79 C78 -29.0(5) . . . . ?
N2 Ce1 C79 C78 130.5(3) . . . . ?
N1 Ce1 C79 C78 -177.9(2) . . . . ?
N3 Ce1 C79 C78 32.8(3) . . . . ?
C80 Ce1 C79 C78 -145.6(4) . . . . ?
C74 Ce1 C79 C78 -100.5(3) . . . . ?
C73 Ce1 C79 C78 -124.5(3) . . . . ?
C19 Ce1 C79 C78 11.7(3) . . . . ?
C1 Ce1 C79 C78 155.8(3) . . . . ?
C75 Ce1 C79 C78 -71.9(3) . . . . ?
N4 Ce1 C79 Ce2 44.6(4) . . . . ?
N2 Ce1 C79 Ce2 -155.99(15) . . . . ?
N1 Ce1 C79 Ce2 -104.34(15) . . . . ?
N3 Ce1 C79 Ce2 106.39(15) . . . . ?
C80 Ce1 C79 Ce2 -72.1(3) . . . . ?
C74 Ce1 C79 Ce2 -26.90(14) . . . . ?
C73 Ce1 C79 Ce2 -50.98(14) . . . . ?
C19 Ce1 C79 Ce2 85.3(2) . . . . ?
C1 Ce1 C79 Ce2 -130.65(15) . . . . ?
C75 Ce1 C79 Ce2 1.63(15) . . . . ?
C78 Ce1 C79 Ce2 73.6(2) . . . . ?
C74 C73 C80 C79 4.5(9) . . . . ?
Ce2 C73 C80 C79 -51.5(5) . . . . ?
Ce1 C73 C80 C79 55.5(5) . . . . ?
C74 C73 C80 Ce1 -51.1(5) . . . . ?
Ce2 C73 C80 Ce1 -106.97(11) . . . . ?
C74 C73 C80 Ce2 55.9(5) . . . . ?
Ce1 C73 C80 Ce2 106.97(11) . . . . ?
C78 C79 C80 C73 -3.4(9) . . . . ?
Ce2 C79 C80 C73 51.2(5) . . . . ?
Ce1 C79 C80 C73 -55.3(5) . . . . ?
C78 C79 C80 Ce1 51.9(5) . . . . ?
Ce2 C79 C80 Ce1 106.45(11) . . . . ?
C78 C79 C80 Ce2 -54.6(5) . . . . ?
Ce1 C79 C80 Ce2 -106.45(11) . . . . ?
N4 Ce1 C80 C73 16.0(4) . . . . ?
N2 Ce1 C80 C73 -122.0(3) . . . . ?
N1 Ce1 C80 C73 -68.0(3) . . . . ?
N3 Ce1 C80 C73 140.1(3) . . . . ?
C74 Ce1 C80 C73 19.2(2) . . . . ?
C19 Ce1 C80 C73 88.2(5) . . . . ?
C1 Ce1 C80 C73 -94.5(3) . . . . ?
C79 Ce1 C80 C73 142.5(4) . . . . ?
C75 Ce1 C80 C73 43.8(3) . . . . ?
C78 Ce1 C80 C73 123.2(3) . . . . ?
N4 Ce1 C80 C79 -126.5(3) . . . . ?
N2 Ce1 C80 C79 95.5(3) . . . . ?
N1 Ce1 C80 C79 149.4(3) . . . . ?
N3 Ce1 C80 C79 -2.4(4) . . . . ?
C74 Ce1 C80 C79 -123.3(3) . . . . ?
C73 Ce1 C80 C79 -142.5(4) . . . . ?
C19 Ce1 C80 C79 -54.3(5) . . . . ?
C1 Ce1 C80 C79 122.9(3) . . . . ?
C75 Ce1 C80 C79 -98.7(3) . . . . ?
C78 Ce1 C80 C79 -19.3(2) . . . . ?
N4 Ce1 C80 Ce2 -54.7(3) . . . . ?
N2 Ce1 C80 Ce2 167.33(16) . . . . ?
N1 Ce1 C80 Ce2 -138.71(16) . . . . ?
N3 Ce1 C80 Ce2 69.4(3) . . . . ?
C74 Ce1 C80 Ce2 -51.49(15) . . . . ?
C73 Ce1 C80 Ce2 -70.7(3) . . . . ?
C19 Ce1 C80 Ce2 17.6(5) . . . . ?
C1 Ce1 C80 Ce2 -165.21(17) . . . . ?
C79 Ce1 C80 Ce2 71.9(3) . . . . ?
C75 Ce1 C80 Ce2 -26.88(15) . . . . ?
C78 Ce1 C80 Ce2 52.56(14) . . . . ?
N5 Ce2 C80 C73 178.3(2) . . . . ?
N8 Ce2 C80 C73 37.1(3) . . . . ?
N7 Ce2 C80 C73 -15.2(4) . . . . ?
N6 Ce2 C80 C73 132.8(3) . . . . ?
C79 Ce2 C80 C73 -144.5(4) . . . . ?
C75 Ce2 C80 C73 -44.7(3) . . . . ?
C74 Ce2 C80 C73 -20.4(2) . . . . ?
C55 Ce2 C80 C73 15.0(3) . . . . ?
C77 Ce2 C80 C73 -100.7(3) . . . . ?
C76 Ce2 C80 C73 -72.7(3) . . . . ?
N5 Ce2 C80 C79 -37.2(3) . . . . ?
N8 Ce2 C80 C79 -178.4(2) . . . . ?
N7 Ce2 C80 C79 129.4(3) . . . . ?
N6 Ce2 C80 C79 -82.7(3) . . . . ?
C73 Ce2 C80 C79 144.5(4) . . . . ?
C75 Ce2 C80 C79 99.8(3) . . . . ?
C74 Ce2 C80 C79 124.1(3) . . . . ?
C55 Ce2 C80 C79 159.5(2) . . . . ?
C77 Ce2 C80 C79 43.8(3) . . . . ?
C76 Ce2 C80 C79 71.8(3) . . . . ?
N5 Ce2 C80 Ce1 -109.96(15) . . . . ?
N8 Ce2 C80 Ce1 108.90(15) . . . . ?
N7 Ce2 C80 Ce1 56.6(3) . . . . ?
N6 Ce2 C80 Ce1 -155.41(16) . . . . ?
C73 Ce2 C80 Ce1 71.8(2) . . . . ?
C79 Ce2 C80 Ce1 -72.7(2) . . . . ?
C75 Ce2 C80 Ce1 27.08(16) . . . . ?
C74 Ce2 C80 Ce1 51.35(15) . . . . ?
C55 Ce2 C80 Ce1 86.76(18) . . . . ?
C77 Ce2 C80 Ce1 -28.90(15) . . . . ?
C76 Ce2 C80 Ce1 -0.96(15) . . . . ?
C107 N11 C101 N12 178.6(2) . . . . ?
Ce3 N11 C101 N12 -6.4(3) . . . . ?
C107 N11 C101 C102 -4.2(4) . . . . ?
Ce3 N11 C101 C102 170.9(3) . . . . ?
C107 N11 C101 Ce3 -175.1(3) . . . . ?
C113 N12 C101 N11 -175.9(2) . . . . ?
Ce3 N12 C101 N11 6.3(3) . . . . ?
C113 N12 C101 C102 6.9(4) . . . . ?
Ce3 N12 C101 C102 -170.9(3) . . . . ?
C113 N12 C101 Ce3 177.8(3) . . . . ?
N14 Ce3 C101 N11 120.6(2) . . . . ?
N12 Ce3 C101 N11 -173.4(3) . . . . ?
N13 Ce3 C101 N11 63.9(2) . . . . ?
C180 Ce3 C101 N11 -63.2(5) . . . . ?
C119 Ce3 C101 N11 92.03(18) . . . . ?
C174 Ce3 C101 N11 -46.86(18) . . . . ?
C178 Ce3 C101 N11 -135.49(18) . . . . ?
C179 Ce3 C101 N11 -133.8(2) . . . . ?
C173 Ce3 C101 N11 -37.1(2) . . . . ?
C175 Ce3 C101 N11 -67.81(18) . . . . ?
N11 Ce3 C101 N12 173.4(3) . . . . ?
N14 Ce3 C101 N12 -66.0(2) . . . . ?
N13 Ce3 C101 N12 -122.7(2) . . . . ?
C180 Ce3 C101 N12 110.2(4) . . . . ?
C119 Ce3 C101 N12 -94.58(19) . . . . ?
C174 Ce3 C101 N12 126.53(19) . . . . ?
C178 Ce3 C101 N12 37.9(2) . . . . ?
C179 Ce3 C101 N12 39.6(3) . . . . ?
C173 Ce3 C101 N12 136.24(19) . . . . ?
C175 Ce3 C101 N12 105.58(19) . . . . ?
N11 Ce3 C101 C102 -83(2) . . . . ?
N14 Ce3 C101 C102 38(2) . . . . ?
N12 Ce3 C101 C102 104(2) . . . . ?
N13 Ce3 C101 C102 -19(2) . . . . ?
C180 Ce3 C101 C102 -145.9(19) . . . . ?
C119 Ce3 C101 C102 9(2) . . . . ?
C174 Ce3 C101 C102 -130(2) . . . . ?
C178 Ce3 C101 C102 142(2) . . . . ?
C179 Ce3 C101 C102 143.4(19) . . . . ?
C173 Ce3 C101 C102 -120(2) . . . . ?
C175 Ce3 C101 C102 -151(2) . . . . ?
N11 C101 C102 C103 -53(4) . . . . ?
N12 C101 C102 C103 124(3) . . . . ?
Ce3 C101 C102 C103 25(5) . . . . ?
C101 C102 C103 C104 27(7) . . . . ?
C102 C103 C104 C105 45(4) . . . . ?
C102 C103 C104 C106 -22(4) . . . . ?
C103 C104 C105 C106 -105.7(4) . . . . ?
C103 C104 C106 C105 108.4(4) . . . . ?
C101 N11 C107 C112 -148.2(3) . . . . ?
Ce3 N11 C107 C112 40.6(4) . . . . ?
C101 N11 C107 C108 89.2(3) . . . . ?
Ce3 N11 C107 C108 -82.0(4) . . . . ?
N11 C107 C108 C109 175.5(3) . . . . ?
C112 C107 C108 C109 54.5(5) . . . . ?
C107 C108 C109 C110 -57.0(5) . . . . ?
C108 C109 C110 C111 58.4(5) . . . . ?
C109 C110 C111 C112 -57.8(5) . . . . ?
N11 C107 C112 C111 -177.1(3) . . . . ?
C108 C107 C112 C111 -54.2(5) . . . . ?
C110 C111 C112 C107 56.2(5) . . . . ?
C101 N12 C113 C118 148.5(3) . . . . ?
Ce3 N12 C113 C118 -35.8(5) . . . . ?
C101 N12 C113 C114 -88.8(3) . . . . ?
Ce3 N12 C113 C114 86.9(4) . . . . ?
N12 C113 C114 C115 -178.9(3) . . . . ?
C118 C113 C114 C115 -56.3(4) . . . . ?
C113 C114 C115 C116 55.9(5) . . . . ?
C114 C115 C116 C117 -54.1(5) . . . . ?
C115 C116 C117 C118 53.9(5) . . . . ?
C116 C117 C118 C113 -55.5(5) . . . . ?
N12 C113 C118 C117 -179.5(3) . . . . ?
C114 C113 C118 C117 56.2(4) . . . . ?
C131 N14 C119 N13 -176.1(2) . . . . ?
Ce3 N14 C119 N13 16.4(3) . . . . ?
C131 N14 C119 C120 8.6(4) . . . . ?
Ce3 N14 C119 C120 -159.0(3) . . . . ?
C131 N14 C119 Ce3 167.6(4) . . . . ?
C125 N13 C119 N14 178.1(3) . . . . ?
Ce3 N13 C119 N14 -16.1(3) . . . . ?
C125 N13 C119 C120 -6.7(4) . . . . ?
Ce3 N13 C119 C120 159.1(3) . . . . ?
C125 N13 C119 Ce3 -165.8(3) . . . . ?
N11 Ce3 C119 N14 113.0(2) . . . . ?
N12 Ce3 C119 N14 53.9(2) . . . . ?
N13 Ce3 C119 N14 163.7(3) . . . . ?
C180 Ce3 C119 N14 -103.9(2) . . . . ?
C174 Ce3 C119 N14 -142.91(19) . . . . ?
C178 Ce3 C119 N14 -56.2(2) . . . . ?
C179 Ce3 C119 N14 -76.5(2) . . . . ?
C101 Ce3 C119 N14 83.54(19) . . . . ?
C173 Ce3 C119 N14 -128.83(19) . . . . ?
C175 Ce3 C119 N14 -138.2(2) . . . . ?
N11 Ce3 C119 N13 -50.7(2) . . . . ?
N14 Ce3 C119 N13 -163.7(3) . . . . ?
N12 Ce3 C119 N13 -109.8(2) . . . . ?
C180 Ce3 C119 N13 92.42(18) . . . . ?
C174 Ce3 C119 N13 53.4(2) . . . . ?
C178 Ce3 C119 N13 140.13(18) . . . . ?
C179 Ce3 C119 N13 119.87(18) . . . . ?
C101 Ce3 C119 N13 -80.13(18) . . . . ?
C173 Ce3 C119 N13 67.51(18) . . . . ?
C175 Ce3 C119 N13 58.2(3) . . . . ?
N11 Ce3 C119 C120 -152.6(9) . . . . ?
N14 Ce3 C119 C120 94.4(9) . . . . ?
N12 Ce3 C119 C120 148.3(9) . . . . ?
N13 Ce3 C119 C120 -101.9(9) . . . . ?
C180 Ce3 C119 C120 -9.5(9) . . . . ?
C174 Ce3 C119 C120 -48.5(10) . . . . ?
C178 Ce3 C119 C120 38.2(9) . . . . ?
C179 Ce3 C119 C120 18.0(9) . . . . ?
C101 Ce3 C119 C120 178.0(9) . . . . ?
C173 Ce3 C119 C120 -34.4(9) . . . . ?
C175 Ce3 C119 C120 -43.7(10) . . . . ?
N14 C119 C120 C121 91(6) . . . . ?
N13 C119 C120 C121 -85(6) . . . . ?
Ce3 C119 C120 C121 7(6) . . . . ?
C119 C120 C121 C122 -27(18) . . . . ?
C120 C121 C122 C124 146(14) . . . . ?
C120 C121 C122 C123 77(14) . . . . ?
C121 C122 C123 C124 109.0(5) . . . . ?
C121 C122 C124 C123 -108.0(5) . . . . ?
C119 N13 C125 C130 156.6(3) . . . . ?
Ce3 N13 C125 C130 5.5(6) . . . . ?
C119 N13 C125 C126 -80.6(4) . . . . ?
Ce3 N13 C125 C126 128.3(4) . . . . ?
N13 C125 C126 C127 179.4(4) . . . . ?
C130 C125 C126 C127 -57.6(6) . . . . ?
C125 C126 C127 C128 55.9(6) . . . . ?
C126 C127 C128 C129 -54.8(7) . . . . ?
C127 C128 C129 C130 55.6(6) . . . . ?
N13 C125 C130 C129 -178.6(3) . . . . ?
C126 C125 C130 C129 57.7(5) . . . . ?
C128 C129 C130 C125 -56.9(6) . . . . ?
C119 N14 C131 C136 -146.7(3) . . . . ?
Ce3 N14 C131 C136 9.9(5) . . . . ?
C119 N14 C131 C132 89.3(4) . . . . ?
Ce3 N14 C131 C132 -114.1(4) . . . . ?
N14 C131 C132 C133 -177.2(3) . . . . ?
C136 C131 C132 C133 58.1(5) . . . . ?
C131 C132 C133 C134 -55.8(5) . . . . ?
C132 C133 C134 C135 54.0(5) . . . . ?
C133 C134 C135 C136 -54.4(5) . . . . ?
N14 C131 C136 C135 177.4(3) . . . . ?
C132 C131 C136 C135 -58.3(5) . . . . ?
C134 C135 C136 C131 56.5(5) . . . . ?
C143 N15 C137 N16 -177.9(3) . . . . ?
Ce4 N15 C137 N16 2.1(3) . . . . ?
C143 N15 C137 C138 2.8(4) . . . . ?
Ce4 N15 C137 C138 -177.3(3) . . . . ?
C143 N15 C137 Ce4 -179.9(3) . . . . ?
C149 N16 C137 N15 175.5(3) . . . . ?
Ce4 N16 C137 N15 -2.1(3) . . . . ?
C149 N16 C137 C138 -5.1(4) . . . . ?
Ce4 N16 C137 C138 177.3(3) . . . . ?
C149 N16 C137 Ce4 177.6(4) . . . . ?
N16 Ce4 C137 N15 177.9(3) . . . . ?
N18 Ce4 C137 N15 68.6(2) . . . . ?
N17 Ce4 C137 N15 125.6(2) . . . . ?
C175 Ce4 C137 N15 -46.61(19) . . . . ?
C173 Ce4 C137 N15 -94.95(18) . . . . ?
C174 Ce4 C137 N15 -66.96(19) . . . . ?
C177 Ce4 C137 N15 -65.1(4) . . . . ?
C180 Ce4 C137 N15 -119.44(18) . . . . ?
C176 Ce4 C137 N15 -38.6(2) . . . . ?
C179 Ce4 C137 N15 -133.33(18) . . . . ?
N18 Ce4 C137 N16 -109.2(2) . . . . ?
N17 Ce4 C137 N16 -52.2(2) . . . . ?
N15 Ce4 C137 N16 -177.9(3) . . . . ?
C175 Ce4 C137 N16 135.53(19) . . . . ?
C173 Ce4 C137 N16 87.19(19) . . . . ?
C174 Ce4 C137 N16 115.18(19) . . . . ?
C177 Ce4 C137 N16 117.1(3) . . . . ?
C180 Ce4 C137 N16 62.70(19) . . . . ?
C176 Ce4 C137 N16 143.52(19) . . . . ?
C179 Ce4 C137 N16 48.8(2) . . . . ?
N16 Ce4 C137 C138 -64(7) . . . . ?
N18 Ce4 C137 C138 -173(7) . . . . ?
N17 Ce4 C137 C138 -116(7) . . . . ?
N15 Ce4 C137 C138 119(7) . . . . ?
C175 Ce4 C137 C138 72(7) . . . . ?
C173 Ce4 C137 C138 24(7) . . . . ?
C174 Ce4 C137 C138 52(7) . . . . ?
C177 Ce4 C137 C138 53(7) . . . . ?
C180 Ce4 C137 C138 -1(7) . . . . ?
C176 Ce4 C137 C138 80(7) . . . . ?
C179 Ce4 C137 C138 -15(7) . . . . ?
N15 C137 C138 C139 107(60) . . . . ?
N16 C137 C138 C139 -72(60) . . . . ?
Ce4 C137 C138 C139 -10(65) . . . . ?
C137 C138 C139 C140 77(66) . . . . ?
C138 C139 C140 C141 -2(18) . . . . ?
C138 C139 C140 C142 -69(18) . . . . ?
C139 C140 C141 C142 -107.4(4) . . . . ?
C139 C140 C142 C141 107.1(5) . . . . ?
C137 N15 C143 C148 -154.5(3) . . . . ?
Ce4 N15 C143 C148 25.7(5) . . . . ?
C137 N15 C143 C144 82.9(4) . . . . ?
Ce4 N15 C143 C144 -97.0(4) . . . . ?
N15 C143 C144 C145 178.5(4) . . . . ?
C148 C143 C144 C145 55.1(5) . . . . ?
C143 C144 C145 C146 -56.1(6) . . . . ?
C144 C145 C146 C147 56.0(6) . . . . ?
C145 C146 C147 C148 -55.4(6) . . . . ?
N15 C143 C148 C147 -176.7(3) . . . . ?
C144 C143 C148 C147 -54.3(5) . . . . ?
C146 C147 C148 C143 55.0(6) . . . . ?
C137 N16 C149 C154 -78.4(4) . . . . ?
Ce4 N16 C149 C154 97.4(4) . . . . ?
C137 N16 C149 C150 160.2(3) . . . . ?
Ce4 N16 C149 C150 -24.0(5) . . . . ?
N16 C149 C150 C151 174.5(3) . . . . ?
C154 C149 C150 C151 52.9(5) . . . . ?
C149 C150 C151 C152 -53.4(5) . . . . ?
C150 C151 C152 C153 55.3(5) . . . . ?
C151 C152 C153 C154 -57.9(5) . . . . ?
C152 C153 C154 C149 58.5(5) . . . . ?
N16 C149 C154 C153 -175.8(3) . . . . ?
C150 C149 C154 C153 -55.3(5) . . . . ?
C167 N17 C155 N18 178.3(3) . . . . ?
Ce4 N17 C155 N18 1.6(3) . . . . ?
C167 N17 C155 C156 -0.9(5) . . . . ?
Ce4 N17 C155 C156 -177.5(3) . . . . ?
C167 N17 C155 Ce4 176.6(4) . . . . ?
C161 N18 C155 N17 -177.4(3) . . . . ?
Ce4 N18 C155 N17 -1.7(3) . . . . ?
C161 N18 C155 C156 1.7(4) . . . . ?
Ce4 N18 C155 C156 177.5(3) . . . . ?
C161 N18 C155 Ce4 -175.7(3) . . . . ?
N16 Ce4 C155 N17 69.5(2) . . . . ?
N18 Ce4 C155 N17 178.3(3) . . . . ?
N15 Ce4 C155 N17 126.8(2) . . . . ?
C175 Ce4 C155 N17 -128.21(19) . . . . ?
C173 Ce4 C155 N17 -44.6(5) . . . . ?
C174 Ce4 C155 N17 -124.0(3) . . . . ?
C177 Ce4 C155 N17 -89.04(19) . . . . ?
C180 Ce4 C155 N17 -28.1(2) . . . . ?
C176 Ce4 C155 N17 -113.19(19) . . . . ?
C137 Ce4 C155 N17 97.52(19) . . . . ?
C179 Ce4 C155 N17 -39.18(19) . . . . ?
N16 Ce4 C155 N18 -108.8(2) . . . . ?
N17 Ce4 C155 N18 -178.3(3) . . . . ?
N15 Ce4 C155 N18 -51.5(2) . . . . ?
C175 Ce4 C155 N18 53.5(2) . . . . ?
C173 Ce4 C155 N18 137.2(3) . . . . ?
C174 Ce4 C155 N18 57.8(3) . . . . ?
C177 Ce4 C155 N18 92.69(18) . . . . ?
C180 Ce4 C155 N18 153.67(18) . . . . ?
C176 Ce4 C155 N18 68.53(18) . . . . ?
C137 Ce4 C155 N18 -80.75(18) . . . . ?
C179 Ce4 C155 N18 142.54(18) . . . . ?
N16 Ce4 C155 C156 -169(7) . . . . ?
N18 Ce4 C155 C156 -61(7) . . . . ?
N17 Ce4 C155 C156 121(7) . . . . ?
N15 Ce4 C155 C156 -112(7) . . . . ?
C175 Ce4 C155 C156 -7(7) . . . . ?
C173 Ce4 C155 C156 77(7) . . . . ?
C174 Ce4 C155 C156 -3(7) . . . . ?
C177 Ce4 C155 C156 32(7) . . . . ?
C180 Ce4 C155 C156 93(7) . . . . ?
C176 Ce4 C155 C156 8(7) . . . . ?
C137 Ce4 C155 C156 -141(7) . . . . ?
C179 Ce4 C155 C156 82(7) . . . . ?
N17 C155 C156 C157 -9(9) . . . . ?
N18 C155 C156 C157 172(100) . . . . ?
Ce4 C155 C156 C157 -129(9) . . . . ?
C155 C156 C157 C158 -9(14) . . . . ?
C156 C157 C158 C160 -56(6) . . . . ?
C156 C157 C158 C159 13(6) . . . . ?
C157 C158 C159 C160 -107.0(5) . . . . ?
C157 C158 C160 C159 108.2(5) . . . . ?
C155 N18 C161 C162 -85.6(4) . . . . ?
Ce4 N18 C161 C162 102.2(4) . . . . ?
C155 N18 C161 C166 151.3(3) . . . . ?
Ce4 N18 C161 C166 -20.9(5) . . . . ?
N18 C161 C162 C163 -179.2(3) . . . . ?
C166 C161 C162 C163 -57.0(5) . . . . ?
C161 C162 C163 C164 57.8(5) . . . . ?
C162 C163 C164 C165 -56.6(6) . . . . ?
C163 C164 C165 C166 55.6(6) . . . . ?
C164 C165 C166 C161 -55.8(5) . . . . ?
N18 C161 C166 C165 -178.7(3) . . . . ?
C162 C161 C166 C165 56.4(5) . . . . ?
C155 N17 C167 C172 -133.0(6) . . . . ?
Ce4 N17 C167 C172 40.9(8) . . . . ?
C155 N17 C167 C168 88.2(5) . . . . ?
Ce4 N17 C167 C168 -97.8(5) . . . . ?
C172 C167 C168 C169 36.8(8) . . . . ?
N17 C167 C168 C169 175.5(5) . . . . ?
C167 C168 C169 C170 -42.4(9) . . . . ?
C168 C169 C170 C171 53.9(9) . . . . ?
C169 C170 C171 C172 -58.2(9) . . . . ?
N17 C167 C172 C171 175.2(6) . . . . ?
C168 C167 C172 C171 -46.9(10) . . . . ?
C170 C171 C172 C167 55.4(10) . . . . ?
N16 Ce4 C173 C180 -92.0(2) . . . . ?
N18 Ce4 C173 C180 121.4(3) . . . . ?
N17 Ce4 C173 C180 -2.7(3) . . . . ?
N15 Ce4 C173 C180 -146.5(2) . . . . ?
C175 Ce4 C173 C180 123.2(3) . . . . ?
C174 Ce4 C173 C180 142.4(4) . . . . ?
C177 Ce4 C173 C180 71.1(3) . . . . ?
C176 Ce4 C173 C180 98.8(3) . . . . ?
C137 Ce4 C173 C180 -119.5(3) . . . . ?
C179 Ce4 C173 C180 19.1(2) . . . . ?
N16 Ce4 C173 C174 125.6(2) . . . . ?
N18 Ce4 C173 C174 -21.1(5) . . . . ?
N17 Ce4 C173 C174 -145.2(2) . . . . ?
N15 Ce4 C173 C174 71.1(2) . . . . ?
C175 Ce4 C173 C174 -19.2(2) . . . . ?
C177 Ce4 C173 C174 -71.3(3) . . . . ?
C180 Ce4 C173 C174 -142.4(4) . . . . ?
C176 Ce4 C173 C174 -43.6(2) . . . . ?
C137 Ce4 C173 C174 98.1(3) . . . . ?
C179 Ce4 C173 C174 -123.3(3) . . . . ?
N16 Ce4 C173 Ce3 -163.02(14) . . . . ?
N18 Ce4 C173 Ce3 50.3(4) . . . . ?
N17 Ce4 C173 Ce3 -73.76(18) . . . . ?
N15 Ce4 C173 Ce3 142.46(13) . . . . ?
C175 Ce4 C173 Ce3 52.19(14) . . . . ?
C174 Ce4 C173 Ce3 71.4(2) . . . . ?
C177 Ce4 C173 Ce3 0.08(13) . . . . ?
C180 Ce4 C173 Ce3 -71.0(2) . . . . ?
C176 Ce4 C173 Ce3 27.79(13) . . . . ?
C137 Ce4 C173 Ce3 169.51(16) . . . . ?
C179 Ce4 C173 Ce3 -51.92(14) . . . . ?
N11 Ce3 C173 C180 179.1(2) . . . . ?
N14 Ce3 C173 C180 39.6(3) . . . . ?
N12 Ce3 C173 C180 -122.7(3) . . . . ?
N13 Ce3 C173 C180 87.6(3) . . . . ?
C119 Ce3 C173 C180 62.4(3) . . . . ?
C174 Ce3 C173 C180 -143.7(4) . . . . ?
C178 Ce3 C173 C180 -44.0(3) . . . . ?
C179 Ce3 C173 C180 -19.7(2) . . . . ?
C101 Ce3 C173 C180 -163.4(2) . . . . ?
C175 Ce3 C173 C180 -123.7(3) . . . . ?
N11 Ce3 C173 C174 -37.2(3) . . . . ?
N14 Ce3 C173 C174 -176.6(2) . . . . ?
N12 Ce3 C173 C174 21.0(4) . . . . ?
N13 Ce3 C173 C174 -128.6(3) . . . . ?
C180 Ce3 C173 C174 143.7(4) . . . . ?
C119 Ce3 C173 C174 -153.9(3) . . . . ?
C178 Ce3 C173 C174 99.7(3) . . . . ?
C179 Ce3 C173 C174 124.0(3) . . . . ?
C101 Ce3 C173 C174 -19.7(3) . . . . ?
C175 Ce3 C173 C174 20.1(2) . . . . ?
N11 Ce3 C173 Ce4 -108.99(12) . . . . ?
N14 Ce3 C173 Ce4 111.58(12) . . . . ?
N12 Ce3 C173 Ce4 -50.8(3) . . . . ?
N13 Ce3 C173 Ce4 159.59(13) . . . . ?
C180 Ce3 C173 Ce4 71.9(3) . . . . ?
C119 Ce3 C173 Ce4 134.34(14) . . . . ?
C174 Ce3 C173 Ce4 -71.8(3) . . . . ?
C178 Ce3 C173 Ce4 27.91(14) . . . . ?
C179 Ce3 C173 Ce4 52.22(14) . . . . ?
C101 Ce3 C173 Ce4 -91.47(19) . . . . ?
C175 Ce3 C173 Ce4 -51.71(15) . . . . ?
C180 C173 C174 C175 -3.3(9) . . . . ?
Ce4 C173 C174 C175 51.6(5) . . . . ?
Ce3 C173 C174 C175 -55.4(5) . . . . ?
C180 C173 C174 Ce4 -54.8(5) . . . . ?
Ce3 C173 C174 Ce4 -106.93(11) . . . . ?
C180 C173 C174 Ce3 52.1(5) . . . . ?
Ce4 C173 C174 Ce3 106.93(11) . . . . ?
N16 Ce4 C174 C175 159.6(2) . . . . ?
N18 Ce4 C174 C175 25.4(3) . . . . ?
N17 Ce4 C174 C175 -74.9(4) . . . . ?
N15 Ce4 C174 C175 109.4(2) . . . . ?
C173 Ce4 C174 C175 -145.6(4) . . . . ?
C177 Ce4 C174 C175 -44.5(2) . . . . ?
C180 Ce4 C174 C175 -124.5(3) . . . . ?
C176 Ce4 C174 C175 -20.5(2) . . . . ?
C137 Ce4 C174 C175 134.8(3) . . . . ?
C179 Ce4 C174 C175 -100.7(3) . . . . ?
N16 Ce4 C174 C173 -54.8(2) . . . . ?
N18 Ce4 C174 C173 171.0(2) . . . . ?
N17 Ce4 C174 C173 70.7(4) . . . . ?
N15 Ce4 C174 C173 -105.0(2) . . . . ?
C175 Ce4 C174 C173 145.6(4) . . . . ?
C177 Ce4 C174 C173 101.1(3) . . . . ?
C180 Ce4 C174 C173 21.1(2) . . . . ?
C176 Ce4 C174 C173 125.1(3) . . . . ?
C137 Ce4 C174 C173 -79.6(3) . . . . ?
C179 Ce4 C174 C173 44.9(2) . . . . ?
N16 Ce4 C174 Ce3 -127.00(12) . . . . ?
N18 Ce4 C174 Ce3 98.77(15) . . . . ?
N17 Ce4 C174 Ce3 -1.5(4) . . . . ?
N15 Ce4 C174 Ce3 -177.23(16) . . . . ?
C175 Ce4 C174 Ce3 73.4(2) . . . . ?
C173 Ce4 C174 Ce3 -72.2(2) . . . . ?
C177 Ce4 C174 Ce3 28.89(14) . . . . ?
C180 Ce4 C174 Ce3 -51.13(15) . . . . ?
C176 Ce4 C174 Ce3 52.93(14) . . . . ?
C137 Ce4 C174 Ce3 -151.83(16) . . . . ?
C179 Ce4 C174 Ce3 -27.34(14) . . . . ?
N11 Ce3 C174 C175 -69.8(2) . . . . ?
N14 Ce3 C174 C175 148.8(2) . . . . ?
N12 Ce3 C174 C175 -24.0(3) . . . . ?
N13 Ce3 C174 C175 -163.0(2) . . . . ?
C180 Ce3 C174 C175 123.5(3) . . . . ?
C119 Ce3 C174 C175 174.7(2) . . . . ?
C178 Ce3 C174 C175 71.2(3) . . . . ?
C179 Ce3 C174 C175 99.6(3) . . . . ?
C101 Ce3 C174 C175 -50.3(3) . . . . ?
C173 Ce3 C174 C175 143.9(4) . . . . ?
N11 Ce3 C174 C173 146.3(3) . . . . ?
N14 Ce3 C174 C173 4.9(3) . . . . ?
N12 Ce3 C174 C173 -167.9(2) . . . . ?
N13 Ce3 C174 C173 53.1(3) . . . . ?
C180 Ce3 C174 C173 -20.4(2) . . . . ?
C119 Ce3 C174 C173 30.8(3) . . . . ?
C178 Ce3 C174 C173 -72.7(3) . . . . ?
C179 Ce3 C174 C173 -44.3(3) . . . . ?
C101 Ce3 C174 C173 165.8(2) . . . . ?
C175 Ce3 C174 C173 -143.9(4) . . . . ?
N11 Ce3 C174 Ce4 -141.98(13) . . . . ?
N14 Ce3 C174 Ce4 76.65(19) . . . . ?
N12 Ce3 C174 Ce4 -96.14(14) . . . . ?
N13 Ce3 C174 Ce4 124.86(12) . . . . ?
C180 Ce3 C174 Ce4 51.36(16) . . . . ?
C119 Ce3 C174 Ce4 102.55(16) . . . . ?
C178 Ce3 C174 Ce4 -1.00(16) . . . . ?
C179 Ce3 C174 Ce4 27.42(14) . . . . ?
C101 Ce3 C174 Ce4 -122.46(14) . . . . ?
C173 Ce3 C174 Ce4 71.7(3) . . . . ?
C175 Ce3 C174 Ce4 -72.2(2) . . . . ?
C173 C174 C175 C176 2.4(9) . . . . ?
Ce4 C174 C175 C176 53.9(5) . . . . ?
Ce3 C174 C175 C176 -52.6(5) . . . . ?
C173 C174 C175 Ce4 -51.6(5) . . . . ?
Ce3 C174 C175 Ce4 -106.55(10) . . . . ?
C173 C174 C175 Ce3 55.0(5) . . . . ?
Ce4 C174 C175 Ce3 106.55(10) . . . . ?
N16 Ce4 C175 C174 -24.8(3) . . . . ?
N18 Ce4 C175 C174 -161.2(2) . . . . ?
N17 Ce4 C175 C174 143.1(2) . . . . ?
N15 Ce4 C175 C174 -67.3(2) . . . . ?
C173 Ce4 C175 C174 19.5(2) . . . . ?
C177 Ce4 C175 C174 123.8(3) . . . . ?
C180 Ce4 C175 C174 44.1(3) . . . . ?
C176 Ce4 C175 C174 144.0(4) . . . . ?
C137 Ce4 C175 C174 -47.9(3) . . . . ?
C179 Ce4 C175 C174 71.8(3) . . . . ?
N16 Ce4 C175 C176 -168.8(2) . . . . ?
N18 Ce4 C175 C176 54.9(2) . . . . ?
N17 Ce4 C175 C176 -0.9(3) . . . . ?
N15 Ce4 C175 C176 148.8(2) . . . . ?
C173 Ce4 C175 C176 -124.5(3) . . . . ?
C174 Ce4 C175 C176 -144.0(4) . . . . ?
C177 Ce4 C175 C176 -20.1(2) . . . . ?
C180 Ce4 C175 C176 -99.9(3) . . . . ?
C137 Ce4 C175 C176 168.1(2) . . . . ?
C179 Ce4 C175 C176 -72.2(3) . . . . ?
N16 Ce4 C175 Ce3 -95.85(13) . . . . ?
N18 Ce4 C175 Ce3 127.84(11) . . . . ?
N17 Ce4 C175 Ce3 72.07(19) . . . . ?
N15 Ce4 C175 Ce3 -138.26(13) . . . . ?
C173 Ce4 C175 Ce3 -51.55(15) . . . . ?
C174 Ce4 C175 Ce3 -71.0(3) . . . . ?
C177 Ce4 C175 Ce3 52.84(14) . . . . ?
C180 Ce4 C175 Ce3 -26.92(14) . . . . ?
C176 Ce4 C175 Ce3 73.0(2) . . . . ?
C137 Ce4 C175 Ce3 -118.92(14) . . . . ?
C179 Ce4 C175 Ce3 0.80(15) . . . . ?
N11 Ce3 C175 C174 108.1(3) . . . . ?
N14 Ce3 C175 C174 -69.9(4) . . . . ?
N12 Ce3 C175 C174 160.1(2) . . . . ?
N13 Ce3 C175 C174 21.6(3) . . . . ?
C180 Ce3 C175 C174 -44.9(3) . . . . ?
C119 Ce3 C175 C174 -8.8(4) . . . . ?
C178 Ce3 C175 C174 -101.3(3) . . . . ?
C179 Ce3 C175 C174 -72.9(3) . . . . ?
C101 Ce3 C175 C174 133.6(3) . . . . ?
C173 Ce3 C175 C174 -20.4(2) . . . . ?
N11 Ce3 C175 C176 -107.1(2) . . . . ?
N14 Ce3 C175 C176 74.8(4) . . . . ?
N12 Ce3 C175 C176 -55.2(2) . . . . ?
N13 Ce3 C175 C176 166.4(2) . . . . ?
C180 Ce3 C175 C176 99.8(3) . . . . ?
C119 Ce3 C175 C176 136.0(3) . . . . ?
C174 Ce3 C175 C176 144.8(4) . . . . ?
C178 Ce3 C175 C176 43.4(2) . . . . ?
C179 Ce3 C175 C176 71.9(2) . . . . ?
C101 Ce3 C175 C176 -81.7(2) . . . . ?
C173 Ce3 C175 C176 124.3(3) . . . . ?
N11 Ce3 C175 Ce4 -179.81(14) . . . . ?
N14 Ce3 C175 Ce4 2.1(4) . . . . ?
N12 Ce3 C175 Ce4 -127.88(12) . . . . ?
N13 Ce3 C175 Ce4 93.68(14) . . . . ?
C180 Ce3 C175 Ce4 27.12(15) . . . . ?
C119 Ce3 C175 Ce4 63.3(3) . . . . ?
C174 Ce3 C175 Ce4 72.1(2) . . . . ?
C178 Ce3 C175 Ce4 -29.25(14) . . . . ?
C179 Ce3 C175 Ce4 -0.80(15) . . . . ?
C101 Ce3 C175 Ce4 -154.38(15) . . . . ?
C173 Ce3 C175 Ce4 51.65(15) . . . . ?
C174 C175 C176 C177 -0.9(9) . . . . ?
Ce4 C175 C176 C177 53.0(4) . . . . ?
Ce3 C175 C176 C177 -52.9(4) . . . . ?
C174 C175 C176 Ce4 -53.9(5) . . . . ?
Ce3 C175 C176 Ce4 -105.92(10) . . . . ?
C174 C175 C176 Ce3 52.0(5) . . . . ?
Ce4 C175 C176 Ce3 105.92(10) . . . . ?
N16 Ce4 C176 C177 -123.3(2) . . . . ?
N18 Ce4 C176 C177 87.4(2) . . . . ?
N17 Ce4 C176 C177 35.9(3) . . . . ?
N15 Ce4 C176 C177 -177.5(2) . . . . ?
C175 Ce4 C176 C177 -143.5(4) . . . . ?
C173 Ce4 C176 C177 -99.4(3) . . . . ?
C174 Ce4 C176 C177 -123.4(3) . . . . ?
C180 Ce4 C176 C177 -71.0(2) . . . . ?
C137 Ce4 C176 C177 -159.6(2) . . . . ?
C179 Ce4 C176 C177 -43.3(2) . . . . ?
N16 Ce4 C176 C175 20.2(4) . . . . ?
N18 Ce4 C176 C175 -129.1(2) . . . . ?
N17 Ce4 C176 C175 179.4(2) . . . . ?
N15 Ce4 C176 C175 -34.0(3) . . . . ?
C173 Ce4 C176 C175 44.0(2) . . . . ?
C174 Ce4 C176 C175 20.0(2) . . . . ?
C177 Ce4 C176 C175 143.5(4) . . . . ?
C180 Ce4 C176 C175 72.5(3) . . . . ?
C137 Ce4 C176 C175 -16.2(3) . . . . ?
C179 Ce4 C176 C175 100.2(3) . . . . ?
N16 Ce4 C176 Ce3 -51.1(3) . . . . ?
N18 Ce4 C176 Ce3 159.63(11) . . . . ?
N17 Ce4 C176 Ce3 108.08(11) . . . . ?
N15 Ce4 C176 Ce3 -105.30(11) . . . . ?
C175 Ce4 C176 Ce3 -71.3(2) . . . . ?
C173 Ce4 C176 Ce3 -27.24(13) . . . . ?
C174 Ce4 C176 Ce3 -51.24(14) . . . . ?
C177 Ce4 C176 Ce3 72.2(2) . . . . ?
C180 Ce4 C176 Ce3 1.22(15) . . . . ?
C137 Ce4 C176 Ce3 -87.44(18) . . . . ?
C179 Ce4 C176 Ce3 28.89(13) . . . . ?
N11 Ce3 C176 C177 -145.7(2) . . . . ?
N14 Ce3 C176 C177 -3.6(3) . . . . ?
N12 Ce3 C176 C177 -91.7(2) . . . . ?
N13 Ce3 C176 C177 117.0(3) . . . . ?
C180 Ce3 C176 C177 71.1(2) . . . . ?
C119 Ce3 C176 C177 41.9(4) . . . . ?
C174 Ce3 C176 C177 123.9(3) . . . . ?
C178 Ce3 C176 C177 18.8(2) . . . . ?
C179 Ce3 C176 C177 43.2(2) . . . . ?
C101 Ce3 C176 C177 -118.6(2) . . . . ?
C173 Ce3 C176 C177 99.5(2) . . . . ?
C175 Ce3 C176 C177 143.5(4) . . . . ?
N11 Ce3 C176 C175 70.7(2) . . . . ?
N14 Ce3 C176 C175 -147.2(2) . . . . ?
N12 Ce3 C176 C175 124.8(2) . . . . ?
N13 Ce3 C176 C175 -26.5(4) . . . . ?
C180 Ce3 C176 C175 -72.5(3) . . . . ?
C119 Ce3 C176 C175 -101.6(4) . . . . ?
C174 Ce3 C176 C175 -19.6(2) . . . . ?
C178 Ce3 C176 C175 -124.8(3) . . . . ?
C179 Ce3 C176 C175 -100.3(3) . . . . ?
C101 Ce3 C176 C175 97.8(2) . . . . ?
C173 Ce3 C176 C175 -44.0(2) . . . . ?
N11 Ce3 C176 Ce4 141.96(11) . . . . ?
N14 Ce3 C176 Ce4 -75.92(16) . . . . ?
N12 Ce3 C176 Ce4 -163.99(13) . . . . ?
N13 Ce3 C176 Ce4 44.7(3) . . . . ?
C180 Ce3 C176 Ce4 -1.22(15) . . . . ?
C119 Ce3 C176 Ce4 -30.4(4) . . . . ?
C174 Ce3 C176 Ce4 51.61(14) . . . . ?
C178 Ce3 C176 Ce4 -53.53(14) . . . . ?
C179 Ce3 C176 Ce4 -29.09(13) . . . . ?
C101 Ce3 C176 Ce4 169.08(14) . . . . ?
C173 Ce3 C176 Ce4 27.21(13) . . . . ?
C175 Ce3 C176 Ce4 71.2(2) . . . . ?
C175 C176 C177 C178 2.1(8) . . . . ?
Ce4 C176 C177 C178 54.9(5) . . . . ?
Ce3 C176 C177 C178 -50.6(5) . . . . ?
C175 C176 C177 Ce4 -52.8(4) . . . . ?
Ce3 C176 C177 Ce4 -105.44(10) . . . . ?
C175 C176 C177 Ce3 52.7(4) . . . . ?
Ce4 C176 C177 Ce3 105.44(10) . . . . ?
N16 Ce4 C177 C176 115.9(3) . . . . ?
N18 Ce4 C177 C176 -92.7(2) . . . . ?
N17 Ce4 C177 C176 -146.7(2) . . . . ?
N15 Ce4 C177 C176 3.6(3) . . . . ?
C175 Ce4 C177 C176 20.9(2) . . . . ?
C173 Ce4 C177 C176 73.4(3) . . . . ?
C174 Ce4 C177 C176 45.1(3) . . . . ?
C180 Ce4 C177 C176 101.6(3) . . . . ?
C137 Ce4 C177 C176 43.1(5) . . . . ?
C179 Ce4 C177 C176 125.5(3) . . . . ?
N16 Ce4 C177 C178 -29.1(4) . . . . ?
N18 Ce4 C177 C178 122.3(2) . . . . ?
N17 Ce4 C177 C178 68.3(2) . . . . ?
N15 Ce4 C177 C178 -141.4(2) . . . . ?
C175 Ce4 C177 C178 -124.1(3) . . . . ?
C173 Ce4 C177 C178 -71.6(3) . . . . ?
C174 Ce4 C177 C178 -99.9(3) . . . . ?
C180 Ce4 C177 C178 -43.4(3) . . . . ?
C176 Ce4 C177 C178 -145.0(4) . . . . ?
C137 Ce4 C177 C178 -101.9(4) . . . . ?
C179 Ce4 C177 C178 -19.5(2) . . . . ?
N16 Ce4 C177 Ce3 42.4(3) . . . . ?
N18 Ce4 C177 Ce3 -166.21(11) . . . . ?
N17 Ce4 C177 Ce3 139.75(11) . . . . ?
N15 Ce4 C177 Ce3 -69.92(17) . . . . ?
C175 Ce4 C177 Ce3 -52.66(14) . . . . ?
C173 Ce4 C177 Ce3 -0.08(13) . . . . ?
C174 Ce4 C177 Ce3 -28.40(14) . . . . ?
C180 Ce4 C177 Ce3 28.12(13) . . . . ?
C176 Ce4 C177 Ce3 -73.5(2) . . . . ?
C137 Ce4 C177 Ce3 -30.4(4) . . . . ?
C179 Ce4 C177 Ce3 52.02(14) . . . . ?
N11 Ce3 C177 C176 37.4(2) . . . . ?
N14 Ce3 C177 C176 177.5(2) . . . . ?
N12 Ce3 C177 C176 84.7(2) . . . . ?
N13 Ce3 C177 C176 -124.7(2) . . . . ?
C180 Ce3 C177 C176 -101.4(2) . . . . ?
C119 Ce3 C177 C176 -159.8(2) . . . . ?
C174 Ce3 C177 C176 -44.6(2) . . . . ?
C178 Ce3 C177 C176 -146.7(4) . . . . ?
C179 Ce3 C177 C176 -125.6(3) . . . . ?
C101 Ce3 C177 C176 62.8(2) . . . . ?
C173 Ce3 C177 C176 -73.0(2) . . . . ?
C175 Ce3 C177 C176 -20.7(2) . . . . ?
N11 Ce3 C177 C178 -175.9(2) . . . . ?
N14 Ce3 C177 C178 -35.7(3) . . . . ?
N12 Ce3 C177 C178 -128.5(2) . . . . ?
N13 Ce3 C177 C178 22.1(4) . . . . ?
C180 Ce3 C177 C178 45.3(2) . . . . ?
C119 Ce3 C177 C178 -13.1(3) . . . . ?
C174 Ce3 C177 C178 102.1(3) . . . . ?
C179 Ce3 C177 C178 21.1(2) . . . . ?
C101 Ce3 C177 C178 -150.4(2) . . . . ?
C173 Ce3 C177 C178 73.7(3) . . . . ?
C175 Ce3 C177 C178 126.0(3) . . . . ?
N11 Ce3 C177 Ce4 110.50(10) . . . . ?
N14 Ce3 C177 Ce4 -109.37(10) . . . . ?
N12 Ce3 C177 Ce4 157.83(12) . . . . ?
N13 Ce3 C177 Ce4 -51.6(3) . . . . ?
C180 Ce3 C177 Ce4 -28.32(13) . . . . ?
C119 Ce3 C177 Ce4 -86.71(17) . . . . ?
C174 Ce3 C177 Ce4 28.47(14) . . . . ?
C178 Ce3 C177 Ce4 -73.6(2) . . . . ?
C179 Ce3 C177 Ce4 -52.52(13) . . . . ?
C101 Ce3 C177 Ce4 135.95(12) . . . . ?
C173 Ce3 C177 Ce4 0.08(13) . . . . ?
C175 Ce3 C177 Ce4 52.36(14) . . . . ?
C176 C177 C178 C179 -4.4(9) . . . . ?
Ce4 C177 C178 C179 50.2(5) . . . . ?
Ce3 C177 C178 C179 -55.6(5) . . . . ?
C176 C177 C178 Ce3 51.3(5) . . . . ?
Ce4 C177 C178 Ce3 105.76(10) . . . . ?
C176 C177 C178 Ce4 -54.5(5) . . . . ?
Ce3 C177 C178 Ce4 -105.76(10) . . . . ?
N11 Ce3 C178 C177 5.9(3) . . . . ?
N14 Ce3 C178 C177 147.9(2) . . . . ?
N12 Ce3 C178 C177 52.3(2) . . . . ?
N13 Ce3 C178 C177 -168.0(2) . . . . ?
C180 Ce3 C178 C177 -122.9(3) . . . . ?
C119 Ce3 C178 C177 170.3(2) . . . . ?
C174 Ce3 C178 C177 -70.3(3) . . . . ?
C179 Ce3 C178 C177 -142.7(4) . . . . ?
C101 Ce3 C178 C177 35.6(3) . . . . ?
C173 Ce3 C178 C177 -98.7(3) . . . . ?
C175 Ce3 C178 C177 -42.6(2) . . . . ?
N11 Ce3 C178 C179 148.6(2) . . . . ?
N14 Ce3 C178 C179 -69.4(2) . . . . ?
N12 Ce3 C178 C179 -165.0(2) . . . . ?
N13 Ce3 C178 C179 -25.3(3) . . . . ?
C180 Ce3 C178 C179 19.8(2) . . . . ?
C119 Ce3 C178 C179 -47.0(3) . . . . ?
C174 Ce3 C178 C179 72.4(3) . . . . ?
C101 Ce3 C178 C179 178.3(2) . . . . ?
C173 Ce3 C178 C179 44.0(2) . . . . ?
C175 Ce3 C178 C179 100.1(3) . . . . ?
N11 Ce3 C178 Ce4 77.22(17) . . . . ?
N14 Ce3 C178 Ce4 -140.81(12) . . . . ?
N12 Ce3 C178 Ce4 123.58(11) . . . . ?
N13 Ce3 C178 Ce4 -96.66(13) . . . . ?
C180 Ce3 C178 Ce4 -51.61(14) . . . . ?
C119 Ce3 C178 Ce4 -118.41(13) . . . . ?
C174 Ce3 C178 Ce4 0.99(16) . . . . ?
C179 Ce3 C178 Ce4 -71.4(2) . . . . ?
C101 Ce3 C178 Ce4 106.91(14) . . . . ?
C173 Ce3 C178 Ce4 -27.39(14) . . . . ?
C175 Ce3 C178 Ce4 28.72(14) . . . . ?
N16 Ce4 C178 C177 164.5(2) . . . . ?
N18 Ce4 C178 C177 -60.6(3) . . . . ?
N17 Ce4 C178 C177 -108.5(2) . . . . ?
N15 Ce4 C178 C177 76.7(3) . . . . ?
C175 Ce4 C178 C177 44.3(3) . . . . ?
C173 Ce4 C178 C177 101.1(3) . . . . ?
C174 Ce4 C178 C177 72.5(3) . . . . ?
C180 Ce4 C178 C177 125.2(3) . . . . ?
C176 Ce4 C178 C177 19.5(2) . . . . ?
C137 Ce4 C178 C177 136.1(3) . . . . ?
C179 Ce4 C178 C177 145.5(4) . . . . ?
N16 Ce4 C178 C179 19.0(3) . . . . ?
N18 Ce4 C178 C179 153.9(2) . . . . ?
N17 Ce4 C178 C179 105.9(2) . . . . ?
N15 Ce4 C178 C179 -68.9(4) . . . . ?
C175 Ce4 C178 C179 -101.2(3) . . . . ?
C173 Ce4 C178 C179 -44.4(2) . . . . ?
C174 Ce4 C178 C179 -73.0(3) . . . . ?
C177 Ce4 C178 C179 -145.5(4) . . . . ?
C180 Ce4 C178 C179 -20.3(2) . . . . ?
C176 Ce4 C178 C179 -126.0(3) . . . . ?
C137 Ce4 C178 C179 -9.4(4) . . . . ?
N16 Ce4 C178 Ce3 91.04(14) . . . . ?
N18 Ce4 C178 Ce3 -134.06(10) . . . . ?
N17 Ce4 C178 Ce3 177.99(14) . . . . ?
N15 Ce4 C178 Ce3 3.2(3) . . . . ?
C175 Ce4 C178 Ce3 -29.15(14) . . . . ?
C173 Ce4 C178 Ce3 27.61(14) . . . . ?
C174 Ce4 C178 Ce3 -0.99(16) . . . . ?
C177 Ce4 C178 Ce3 -73.5(3) . . . . ?
C180 Ce4 C178 Ce3 51.73(14) . . . . ?
C176 Ce4 C178 Ce3 -53.95(14) . . . . ?
C137 Ce4 C178 Ce3 62.6(3) . . . . ?
C179 Ce4 C178 Ce3 72.1(2) . . . . ?
C177 C178 C179 C180 4.0(9) . . . . ?
Ce3 C178 C179 C180 -52.1(5) . . . . ?
Ce4 C178 C179 C180 54.0(5) . . . . ?
C177 C178 C179 Ce3 56.1(5) . . . . ?
Ce4 C178 C179 Ce3 106.11(10) . . . . ?
C177 C178 C179 Ce4 -50.0(5) . . . . ?
Ce3 C178 C179 Ce4 -106.11(10) . . . . ?
N11 Ce3 C179 C180 75.1(4) . . . . ?
N14 Ce3 C179 C180 -106.6(2) . . . . ?
N12 Ce3 C179 C180 163.2(2) . . . . ?
N13 Ce3 C179 C180 -55.8(2) . . . . ?
C119 Ce3 C179 C180 -79.8(3) . . . . ?
C174 Ce3 C179 C180 44.4(3) . . . . ?
C178 Ce3 C179 C180 144.4(4) . . . . ?
C101 Ce3 C179 C180 141.5(3) . . . . ?
C173 Ce3 C179 C180 20.0(2) . . . . ?
C175 Ce3 C179 C180 72.4(3) . . . . ?
N11 Ce3 C179 C178 -69.3(4) . . . . ?
N14 Ce3 C179 C178 109.0(2) . . . . ?
N12 Ce3 C179 C178 18.7(3) . . . . ?
N13 Ce3 C179 C178 159.7(2) . . . . ?
C180 Ce3 C179 C178 -144.4(4) . . . . ?
C119 Ce3 C179 C178 135.7(3) . . . . ?
C174 Ce3 C179 C178 -100.0(3) . . . . ?
C101 Ce3 C179 C178 -3.0(4) . . . . ?
C173 Ce3 C179 C178 -124.4(3) . . . . ?
C175 Ce3 C179 C178 -72.1(3) . . . . ?
N11 Ce3 C179 Ce4 3.5(4) . . . . ?
N14 Ce3 C179 Ce4 -178.17(13) . . . . ?
N12 Ce3 C179 Ce4 91.60(13) . . . . ?
N13 Ce3 C179 Ce4 -127.40(10) . . . . ?
C180 Ce3 C179 Ce4 -71.6(2) . . . . ?
C119 Ce3 C179 Ce4 -151.40(14) . . . . ?
C174 Ce3 C179 Ce4 -27.15(14) . . . . ?
C178 Ce3 C179 Ce4 72.9(2) . . . . ?
C101 Ce3 C179 Ce4 69.9(3) . . . . ?
C173 Ce3 C179 Ce4 -51.53(15) . . . . ?
C175 Ce3 C179 Ce4 0.79(15) . . . . ?
N16 Ce4 C179 C180 51.6(2) . . . . ?
N18 Ce4 C179 C180 -176.5(2) . . . . ?
N17 Ce4 C179 C180 146.0(2) . . . . ?
N15 Ce4 C179 C180 1.8(3) . . . . ?
C175 Ce4 C179 C180 -72.2(3) . . . . ?
C173 Ce4 C179 C180 -19.5(2) . . . . ?
C174 Ce4 C179 C180 -44.2(2) . . . . ?
C177 Ce4 C179 C180 -124.2(3) . . . . ?
C176 Ce4 C179 C180 -100.9(3) . . . . ?
C137 Ce4 C179 C180 30.9(3) . . . . ?
N16 Ce4 C179 C178 -165.0(2) . . . . ?
N18 Ce4 C179 C178 -33.1(3) . . . . ?
N17 Ce4 C179 C178 -70.5(2) . . . . ?
N15 Ce4 C179 C178 145.3(2) . . . . ?
C175 Ce4 C179 C178 71.2(3) . . . . ?
C173 Ce4 C179 C178 123.9(3) . . . . ?
C174 Ce4 C179 C178 99.2(3) . . . . ?
C177 Ce4 C179 C178 19.2(2) . . . . ?
C180 Ce4 C179 C178 143.4(4) . . . . ?
C176 Ce4 C179 C178 42.6(2) . . . . ?
C137 Ce4 C179 C178 174.4(2) . . . . ?
N16 Ce4 C179 Ce3 122.96(10) . . . . ?
N18 Ce4 C179 Ce3 -105.15(12) . . . . ?
N17 Ce4 C179 Ce3 -142.58(12) . . . . ?
N15 Ce4 C179 Ce3 73.22(16) . . . . ?
C175 Ce4 C179 Ce3 -0.80(15) . . . . ?
C173 Ce4 C179 Ce3 51.90(14) . . . . ?
C174 Ce4 C179 Ce3 27.20(14) . . . . ?
C177 Ce4 C179 Ce3 -52.84(13) . . . . ?
C180 Ce4 C179 Ce3 71.4(2) . . . . ?
C176 Ce4 C179 Ce3 -29.47(13) . . . . ?
C137 Ce4 C179 Ce3 102.32(14) . . . . ?
C178 C179 C180 C173 -2.2(10) . . . . ?
Ce3 C179 C180 C173 -54.5(5) . . . . ?
Ce4 C179 C180 C173 52.1(5) . . . . ?
C178 C179 C180 Ce3 52.2(5) . . . . ?
Ce4 C179 C180 Ce3 106.58(10) . . . . ?
C178 C179 C180 Ce4 -54.4(5) . . . . ?
Ce3 C179 C180 Ce4 -106.58(10) . . . . ?
C174 C173 C180 C179 2.3(9) . . . . ?
Ce4 C173 C180 C179 -52.5(5) . . . . ?
Ce3 C173 C180 C179 54.5(5) . . . . ?
C174 C173 C180 Ce3 -52.2(5) . . . . ?
Ce4 C173 C180 Ce3 -106.99(11) . . . . ?
C174 C173 C180 Ce4 54.7(5) . . . . ?
Ce3 C173 C180 Ce4 106.99(11) . . . . ?
N11 Ce3 C180 C179 -146.0(2) . . . . ?
N14 Ce3 C180 C179 71.5(2) . . . . ?
N12 Ce3 C180 C179 -30.8(4) . . . . ?
N13 Ce3 C180 C179 125.4(2) . . . . ?
C119 Ce3 C180 C179 97.9(3) . . . . ?
C174 Ce3 C180 C179 -124.2(3) . . . . ?
C178 Ce3 C180 C179 -20.2(2) . . . . ?
C101 Ce3 C180 C179 -104.9(4) . . . . ?
C173 Ce3 C180 C179 -144.6(4) . . . . ?
C175 Ce3 C180 C179 -100.0(3) . . . . ?
N11 Ce3 C180 C173 -1.4(4) . . . . ?
N14 Ce3 C180 C173 -143.9(3) . . . . ?
N12 Ce3 C180 C173 113.8(3) . . . . ?
N13 Ce3 C180 C173 -90.0(3) . . . . ?
C119 Ce3 C180 C173 -117.5(3) . . . . ?
C174 Ce3 C180 C173 20.4(3) . . . . ?
C178 Ce3 C180 C173 124.4(3) . . . . ?
C179 Ce3 C180 C173 144.6(4) . . . . ?
C101 Ce3 C180 C173 39.6(6) . . . . ?
C175 Ce3 C180 C173 44.5(3) . . . . ?
N11 Ce3 C180 Ce4 -73.0(2) . . . . ?
N14 Ce3 C180 Ce4 144.43(13) . . . . ?
N12 Ce3 C180 Ce4 42.2(3) . . . . ?
N13 Ce3 C180 Ce4 -161.66(13) . . . . ?
C119 Ce3 C180 Ce4 170.85(16) . . . . ?
C174 Ce3 C180 Ce4 -51.26(15) . . . . ?
C178 Ce3 C180 Ce4 52.79(15) . . . . ?
C179 Ce3 C180 Ce4 72.9(2) . . . . ?
C101 Ce3 C180 Ce4 -32.0(5) . . . . ?
C173 Ce3 C180 Ce4 -71.6(3) . . . . ?
C175 Ce3 C180 Ce4 -27.10(14) . . . . ?
N16 Ce4 C180 C179 -129.7(2) . . . . ?
N18 Ce4 C180 C179 6.7(4) . . . . ?
N17 Ce4 C180 C179 -36.3(2) . . . . ?
N15 Ce4 C180 C179 -178.7(2) . . . . ?
C175 Ce4 C180 C179 100.5(3) . . . . ?
C173 Ce4 C180 C179 145.6(4) . . . . ?
C174 Ce4 C180 C179 124.5(3) . . . . ?
C177 Ce4 C180 C179 44.3(2) . . . . ?
C176 Ce4 C180 C179 71.8(3) . . . . ?
C137 Ce4 C180 C179 -153.8(2) . . . . ?
N16 Ce4 C180 C173 84.7(2) . . . . ?
N18 Ce4 C180 C173 -138.9(2) . . . . ?
N17 Ce4 C180 C173 178.1(2) . . . . ?
N15 Ce4 C180 C173 35.7(3) . . . . ?
C175 Ce4 C180 C173 -45.1(2) . . . . ?
C174 Ce4 C180 C173 -21.1(2) . . . . ?
C177 Ce4 C180 C173 -101.3(3) . . . . ?
C176 Ce4 C180 C173 -73.8(2) . . . . ?
C137 Ce4 C180 C173 60.6(3) . . . . ?
C179 Ce4 C180 C173 -145.6(4) . . . . ?
N16 Ce4 C180 Ce3 157.31(14) . . . . ?
N18 Ce4 C180 Ce3 -66.4(3) . . . . ?
N17 Ce4 C180 Ce3 -109.37(12) . . . . ?
N15 Ce4 C180 Ce3 108.30(12) . . . . ?
C175 Ce4 C180 Ce3 27.44(14) . . . . ?
C173 Ce4 C180 Ce3 72.6(2) . . . . ?
C174 Ce4 C180 Ce3 51.44(14) . . . . ?
C177 Ce4 C180 Ce3 -28.75(14) . . . . ?
C176 Ce4 C180 Ce3 -1.25(15) . . . . ?
C137 Ce4 C180 Ce3 133.17(15) . . . . ?
C179 Ce4 C180 Ce3 -73.0(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.948
_diffrn_reflns_theta_full        25.68
_diffrn_measured_fraction_theta_full 0.948
_refine_diff_density_max         0.845
_refine_diff_density_min         -0.748
_refine_diff_density_rms         0.064

####################################################################### 
# 
# 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_magd112
_database_code_depnum_ccdc_archive 'CCDC 1057413'
_audit_update_record             
;
2015-04-01 deposited with the CCDC.
2016-06-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C190 H264 Cl8 N16 Nd8'
_chemical_formula_weight         4209.69

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'

loop_
_symmetry_equiv_pos_as_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                   44.794(9)
_cell_length_b                   21.617(4)
_cell_length_c                   32.326(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 125.03(3)
_cell_angle_gamma                90.00
_cell_volume                     25631(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    79042
_cell_measurement_theta_min      3.2670
_cell_measurement_theta_max      75.2450

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.091
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             8528
_exptl_absorpt_coefficient_mu    1.712
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.52253
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Atlas, Nova'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3543
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            451720
_diffrn_reflns_av_R_equivalents  0.0925
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_min       -55
_diffrn_reflns_limit_h_max       56
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         1.51
_diffrn_reflns_theta_max         26.56
_reflns_number_total             26581
_reflns_number_gt                24025
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
;
_computing_cell_refinement       
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
;
_computing_data_reduction        
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker XP'
_computing_publication_material  SHELXL-97

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_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)+(0.0644P)²+178.5040P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         26581
_refine_ls_number_parameters     1001
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0554
_refine_ls_R_factor_gt           0.0478
_refine_ls_wR_factor_ref         0.1205
_refine_ls_wR_factor_gt          0.1160
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Nd1 Nd 0.053896(6) 0.348199(10) 0.319911(8) 0.01670(6) Uani 1 1 d . . .
Nd2 Nd 0.126458(6) 0.189954(10) 0.403036(8) 0.01520(6) Uani 1 1 d . . .
Nd3 Nd 0.137778(6) 0.002907(10) 0.365445(8) 0.01630(6) Uani 1 1 d . . .
Nd4 Nd 0.055743(6) -0.137312(10) 0.272740(8) 0.01628(6) Uani 1 1 d . . .
Cl1 Cl 0.06414(3) 0.24747(5) 0.38270(4) 0.01906(19) Uani 1 1 d . . .
Cl2 Cl 0.10916(3) 0.27816(4) 0.32753(4) 0.01646(18) Uani 1 1 d . . .
Cl3 Cl 0.08452(3) -0.02870(5) 0.26437(4) 0.01880(19) Uani 1 1 d . . .
Cl4 Cl 0.10392(3) -0.09849(4) 0.37465(4) 0.01665(18) Uani 1 1 d . . .
N1 N 0.09379(10) 0.43682(17) 0.34372(14) 0.0205(7) Uani 1 1 d . . .
N2 N 0.07520(11) 0.41048(17) 0.39350(14) 0.0215(8) Uani 1 1 d . . .
N3 N 0.14861(10) 0.21019(17) 0.49034(14) 0.0198(7) Uani 1 1 d . . .
N4 N 0.17710(10) 0.25498(17) 0.45841(13) 0.0186(7) Uani 1 1 d . . .
N5 N 0.19304(10) -0.05664(17) 0.42263(13) 0.0186(7) Uani 1 1 d . . .
N6 N 0.17934(10) -0.03033(17) 0.34547(14) 0.0192(7) Uani 1 1 d . . .
N7 N 0.09807(10) -0.21955(16) 0.29386(14) 0.0204(7) Uani 1 1 d . . .
N8 N 0.06968(11) -0.17878(17) 0.21617(14) 0.0216(8) Uani 1 1 d . . .
C1 C 0.09686(12) 0.4454(2) 0.38679(17) 0.0215(9) Uani 1 1 d . . .
C2 C 0.12256(13) 0.4887(2) 0.42501(17) 0.0225(9) Uani 1 1 d . . .
C3 C 0.14339(13) 0.5228(2) 0.45974(18) 0.0240(9) Uani 1 1 d . . .
C4 C 0.16646(15) 0.5615(2) 0.50215(19) 0.0327(11) Uani 1 1 d . . .
H4 H 0.1856 0.5848 0.5019 0.039 Uiso 1 1 calc R . .
C5 C 0.1752(2) 0.5455(3) 0.5523(2) 0.0535(18) Uani 1 1 d . . .
H5A H 0.1657 0.5058 0.5555 0.064 Uiso 1 1 calc R . .
H5B H 0.1997 0.5567 0.5822 0.064 Uiso 1 1 calc R . .
C6 C 0.1492(2) 0.5953(4) 0.5257(3) 0.062(2) Uani 1 1 d . . .
H6A H 0.1574 0.6381 0.5382 0.074 Uiso 1 1 calc R . .
H6B H 0.1233 0.5869 0.5114 0.074 Uiso 1 1 calc R . .
C7 C 0.11608(13) 0.4734(2) 0.33286(17) 0.0224(9) Uani 1 1 d . . .
H7 H 0.1401 0.4826 0.3653 0.027 Uiso 1 1 calc R . .
C8 C 0.12271(14) 0.4360(2) 0.29890(19) 0.0268(10) Uani 1 1 d . . .
H8A H 0.0990 0.4238 0.2680 0.032 Uiso 1 1 calc R . .
H8B H 0.1361 0.3977 0.3167 0.032 Uiso 1 1 calc R . .
C9 C 0.14444(16) 0.4722(2) 0.2840(2) 0.0343(12) Uani 1 1 d . . .
H9A H 0.1692 0.4805 0.3146 0.041 Uiso 1 1 calc R . .
H9B H 0.1469 0.4470 0.2606 0.041 Uiso 1 1 calc R . .
C10 C 0.12591(17) 0.5331(3) 0.2589(2) 0.0382(13) Uani 1 1 d . . .
H10A H 0.1023 0.5248 0.2264 0.046 Uiso 1 1 calc R . .
H10B H 0.1413 0.5568 0.2516 0.046 Uiso 1 1 calc R . .
C11 C 0.11962(16) 0.5711(2) 0.2928(2) 0.0341(12) Uani 1 1 d . . .
H11A H 0.1065 0.6096 0.2752 0.041 Uiso 1 1 calc R . .
H11B H 0.1434 0.5827 0.3239 0.041 Uiso 1 1 calc R . .
C12 C 0.09732(14) 0.5345(2) 0.30704(19) 0.0254(10) Uani 1 1 d . . .
H12A H 0.0944 0.5597 0.3301 0.030 Uiso 1 1 calc R . .
H12B H 0.0728 0.5259 0.2762 0.030 Uiso 1 1 calc R . .
C13 C 0.07715(13) 0.4157(2) 0.44044(17) 0.0238(9) Uani 1 1 d . . .
H13 H 0.0824 0.4598 0.4519 0.029 Uiso 1 1 calc R . .
C14 C 0.04019(14) 0.3987(3) 0.4287(2) 0.0301(11) Uani 1 1 d . . .
H14A H 0.0337 0.3563 0.4147 0.036 Uiso 1 1 calc R . .
H14B H 0.0215 0.4273 0.4028 0.036 Uiso 1 1 calc R . .
C15 C 0.04014(15) 0.4019(3) 0.4761(2) 0.0348(12) Uani 1 1 d . . .
H15A H 0.0435 0.4454 0.4876 0.042 Uiso 1 1 calc R . .
H15B H 0.0163 0.3875 0.4677 0.042 Uiso 1 1 calc R . .
C16 C 0.07033(17) 0.3622(3) 0.5184(2) 0.0382(12) Uani 1 1 d . . .
H16A H 0.0651 0.3181 0.5086 0.046 Uiso 1 1 calc R . .
H16B H 0.0709 0.3680 0.5492 0.046 Uiso 1 1 calc R . .
C17 C 0.10761(15) 0.3788(3) 0.52997(19) 0.0335(11) Uani 1 1 d . . .
H17A H 0.1143 0.4213 0.5439 0.040 Uiso 1 1 calc R . .
H17B H 0.1262 0.3501 0.5558 0.040 Uiso 1 1 calc R . .
C18 C 0.10732(14) 0.3751(2) 0.48272(18) 0.0268(10) Uani 1 1 d . . .
H18A H 0.1035 0.3317 0.4710 0.032 Uiso 1 1 calc R . .
H18B H 0.1312 0.3888 0.4909 0.032 Uiso 1 1 calc R . .
C19 C 0.00716(16) 0.4268(3) 0.2362(2) 0.0516(19) Uani 1 1 d . . .
H19 H 0.0102 0.4675 0.2281 0.062 Uiso 1 1 calc R . .
C20 C 0.01841(15) 0.3820(4) 0.2172(2) 0.0504(19) Uani 1 1 d . . .
H20 H 0.0282 0.3992 0.2003 0.061 Uiso 1 1 calc R . .
C21 C 0.01870(13) 0.3170(4) 0.21714(19) 0.0431(16) Uani 1 1 d . . .
H21 H 0.0283 0.3007 0.1997 0.052 Uiso 1 1 calc R . .
C22 C 0.00834(16) 0.2708(3) 0.2365(2) 0.0480(17) Uani 1 1 d . . .
H22 H 0.0134 0.2303 0.2305 0.058 Uiso 1 1 calc R . .
C23 C 0.17301(12) 0.25084(19) 0.49635(16) 0.0197(8) Uani 1 1 d . . .
C24 C 0.19467(13) 0.2893(2) 0.54095(18) 0.0264(10) Uani 1 1 d . . .
C25 C 0.21461(14) 0.3211(3) 0.57648(19) 0.0316(11) Uani 1 1 d . . .
C26 C 0.23908(16) 0.3620(3) 0.6179(2) 0.0396(13) Uani 1 1 d . . .
H26 H 0.2631 0.3433 0.6446 0.047 Uiso 1 1 calc R . .
C27 C 0.2409(2) 0.4250(4) 0.6053(3) 0.068(2) Uani 1 1 d . . .
H27A H 0.2237 0.4383 0.5698 0.082 Uiso 1 1 calc R . .
H27B H 0.2651 0.4454 0.6239 0.082 Uiso 1 1 calc R . .
C28 C 0.2241(2) 0.4059(3) 0.6370(3) 0.066(2) Uani 1 1 d . . .
H28A H 0.2388 0.4148 0.6737 0.079 Uiso 1 1 calc R . .
H28B H 0.1974 0.4076 0.6195 0.079 Uiso 1 1 calc R . .
C29 C 0.14212(14) 0.2031(2) 0.52943(17) 0.0247(10) Uani 1 1 d . . .
H29 H 0.1465 0.2438 0.5467 0.030 Uiso 1 1 calc R . .
C30 C 0.10296(14) 0.1841(3) 0.50611(19) 0.0301(11) Uani 1 1 d . . .
H30A H 0.0979 0.1450 0.4872 0.036 Uiso 1 1 calc R . .
H30B H 0.0865 0.2163 0.4818 0.036 Uiso 1 1 calc R . .
C31 C 0.09487(16) 0.1752(3) 0.5453(2) 0.0378(13) Uani 1 1 d . . .
H31A H 0.0695 0.1604 0.5285 0.045 Uiso 1 1 calc R . .
H31B H 0.0971 0.2153 0.5616 0.045 Uiso 1 1 calc R . .
C32 C 0.12105(17) 0.1284(3) 0.5857(2) 0.0462(16) Uani 1 1 d . . .
H32A H 0.1165 0.0869 0.5702 0.055 Uiso 1 1 calc R . .
H32B H 0.1165 0.1261 0.6123 0.055 Uiso 1 1 calc R . .
C33 C 0.16108(17) 0.1471(3) 0.6097(2) 0.0409(14) Uani 1 1 d . . .
H33A H 0.1664 0.1864 0.6285 0.049 Uiso 1 1 calc R . .
H33B H 0.1775 0.1149 0.6339 0.049 Uiso 1 1 calc R . .
C34 C 0.16822(14) 0.1552(2) 0.56902(18) 0.0288(10) Uani 1 1 d . . .
H34A H 0.1650 0.1150 0.5522 0.035 Uiso 1 1 calc R . .
H34B H 0.1937 0.1688 0.5850 0.035 Uiso 1 1 calc R . .
C35 C 0.20157(12) 0.3007(2) 0.46019(18) 0.0227(9) Uani 1 1 d . . .
H35 H 0.2238 0.3033 0.4957 0.027 Uiso 1 1 calc R . .
C36 C 0.21341(12) 0.2801(2) 0.42637(18) 0.0239(9) Uani 1 1 d . . .
H36A H 0.1917 0.2767 0.3910 0.029 Uiso 1 1 calc R . .
H36B H 0.2250 0.2388 0.4373 0.029 Uiso 1 1 calc R . .
C37 C 0.24034(13) 0.3263(2) 0.4289(2) 0.0306(11) Uani 1 1 d . . .
H37A H 0.2464 0.3134 0.4052 0.037 Uiso 1 1 calc R . .
H37B H 0.2631 0.3264 0.4634 0.037 Uiso 1 1 calc R . .
C38 C 0.22418(15) 0.3918(3) 0.4154(2) 0.0364(12) Uani 1 1 d . . .
H38A H 0.2430 0.4213 0.4208 0.044 Uiso 1 1 calc R . .
H38B H 0.2037 0.3931 0.3791 0.044 Uiso 1 1 calc R . .
C39 C 0.21063(14) 0.4113(2) 0.4470(2) 0.0329(11) Uani 1 1 d . . .
H39A H 0.1983 0.4519 0.4348 0.039 Uiso 1 1 calc R . .
H39B H 0.2317 0.4164 0.4825 0.039 Uiso 1 1 calc R . .
C40 C 0.18425(13) 0.3643(2) 0.44445(19) 0.0247(9) Uani 1 1 d . . .
H40A H 0.1772 0.3776 0.4670 0.030 Uiso 1 1 calc R . .
H40B H 0.1619 0.3625 0.4095 0.030 Uiso 1 1 calc R . .
C41 C 0.12051(19) 0.1227(2) 0.3224(2) 0.0384(14) Uani 1 1 d . . .
H41 H 0.1151 0.1342 0.2904 0.046 Uiso 1 1 calc R . .
C42 C 0.09001(17) 0.1074(2) 0.3207(2) 0.0444(16) Uani 1 1 d . . .
H42 H 0.0682 0.1146 0.2882 0.053 Uiso 1 1 calc R . .
C43 C 0.08269(15) 0.0836(2) 0.3551(3) 0.0455(17) Uani 1 1 d . . .
H43 H 0.0574 0.0766 0.3396 0.055 Uiso 1 1 calc R . .
C44 C 0.1040(2) 0.0683(2) 0.4058(3) 0.0451(17) Uani 1 1 d . . .
H44 H 0.0899 0.0548 0.4177 0.054 Uiso 1 1 calc R . .
C45 C 0.1421(2) 0.0682(2) 0.4443(2) 0.0463(17) Uani 1 1 d . . .
H45 H 0.1478 0.0516 0.4753 0.056 Uiso 1 1 calc R . .
C46 C 0.17353(16) 0.0871(2) 0.4473(2) 0.0438(17) Uani 1 1 d . . .
H46 H 0.1952 0.0840 0.4805 0.053 Uiso 1 1 calc R . .
C47 C 0.17999(15) 0.1090(2) 0.4129(3) 0.0424(15) Uani 1 1 d . . .
H47 H 0.2053 0.1146 0.4276 0.051 Uiso 1 1 calc R . .
C48 C 0.15845(19) 0.1251(2) 0.3616(3) 0.0414(15) Uani 1 1 d . . .
H48 H 0.1724 0.1413 0.3505 0.050 Uiso 1 1 calc R . .
C49 C 0.19981(12) -0.06370(19) 0.38758(17) 0.0203(9) Uani 1 1 d . . .
C50 C 0.22692(13) -0.1072(2) 0.39382(18) 0.0249(9) Uani 1 1 d . . .
C51 C 0.24614(14) -0.1471(2) 0.3957(2) 0.0289(10) Uani 1 1 d . . .
C52 C 0.26794(18) -0.1952(3) 0.3941(3) 0.0421(14) Uani 1 1 d . . .
H52 H 0.2881 -0.2127 0.4273 0.050 Uiso 1 1 calc R . .
C53 C 0.2497(2) -0.2387(3) 0.3504(3) 0.062(2) Uani 1 1 d . . .
H53A H 0.2582 -0.2822 0.3568 0.074 Uiso 1 1 calc R . .
H53B H 0.2233 -0.2331 0.3244 0.074 Uiso 1 1 calc R . .
C54 C 0.2749(3) -0.1906(4) 0.3542(4) 0.082(3) Uani 1 1 d . . .
H54A H 0.2640 -0.1551 0.3306 0.099 Uiso 1 1 calc R . .
H54B H 0.2989 -0.2042 0.3630 0.099 Uiso 1 1 calc R . .
C55 C 0.21594(13) -0.0878(2) 0.47113(17) 0.0224(9) Uani 1 1 d . . .
H55 H 0.2253 -0.1270 0.4661 0.027 Uiso 1 1 calc R . .
C56 C 0.19410(13) -0.1037(2) 0.49240(18) 0.0255(10) Uani 1 1 d . . .
H56A H 0.1737 -0.1315 0.4687 0.031 Uiso 1 1 calc R . .
H56B H 0.1837 -0.0654 0.4961 0.031 Uiso 1 1 calc R . .
C57 C 0.21852(14) -0.1354(2) 0.54385(19) 0.0321(11) Uani 1 1 d . . .
H57A H 0.2042 -0.1437 0.5578 0.039 Uiso 1 1 calc R . .
H57B H 0.2269 -0.1756 0.5394 0.039 Uiso 1 1 calc R . .
C58 C 0.25163(15) -0.0958(3) 0.58131(19) 0.0353(12) Uani 1 1 d . . .
H58A H 0.2676 -0.1192 0.6131 0.042 Uiso 1 1 calc R . .
H58B H 0.2434 -0.0579 0.5892 0.042 Uiso 1 1 calc R . .
C59 C 0.27326(14) -0.0779(2) 0.5596(2) 0.0326(11) Uani 1 1 d . . .
H59A H 0.2932 -0.0492 0.5831 0.039 Uiso 1 1 calc R . .
H59B H 0.2843 -0.1153 0.5560 0.039 Uiso 1 1 calc R . .
C60 C 0.24838(13) -0.0471(2) 0.50838(19) 0.0263(10) Uani 1 1 d . . .
H60A H 0.2625 -0.0376 0.4943 0.032 Uiso 1 1 calc R . .
H60B H 0.2393 -0.0075 0.5127 0.032 Uiso 1 1 calc R . .
C61 C 0.18439(13) -0.0362(2) 0.30436(18) 0.0225(9) Uani 1 1 d . . .
H61 H 0.2111 -0.0401 0.3197 0.027 Uiso 1 1 calc R . .
C62 C 0.17045(14) 0.0231(2) 0.27291(19) 0.0266(10) Uani 1 1 d . . .
H62A H 0.1443 0.0285 0.2587 0.032 Uiso 1 1 calc R . .
H62B H 0.1839 0.0590 0.2949 0.032 Uiso 1 1 calc R . .
C63 C 0.17543(17) 0.0207(2) 0.2301(2) 0.0344(12) Uani 1 1 d . . .
H63A H 0.2017 0.0188 0.2443 0.041 Uiso 1 1 calc R . .
H63B H 0.1653 0.0587 0.2094 0.041 Uiso 1 1 calc R . .
C64 C 0.15622(18) -0.0358(3) 0.1968(2) 0.0394(13) Uani 1 1 d . . .
H64A H 0.1609 -0.0379 0.1703 0.047 Uiso 1 1 calc R . .
H64B H 0.1296 -0.0318 0.1798 0.047 Uiso 1 1 calc R . .
C65 C 0.16978(16) -0.0956(2) 0.2282(2) 0.0335(12) Uani 1 1 d . . .
H65A H 0.1561 -0.1313 0.2061 0.040 Uiso 1 1 calc R . .
H65B H 0.1959 -0.1017 0.2424 0.040 Uiso 1 1 calc R . .
C66 C 0.16482(15) -0.0929(2) 0.27088(19) 0.0272(10) Uani 1 1 d . . .
H66A H 0.1748 -0.1309 0.2915 0.033 Uiso 1 1 calc R . .
H66B H 0.1385 -0.0906 0.2566 0.033 Uiso 1 1 calc R . .
C67 C 0.09544(12) -0.2167(2) 0.25083(17) 0.0204(9) Uani 1 1 d . . .
C68 C 0.11837(13) -0.2528(2) 0.24184(18) 0.0239(9) Uani 1 1 d . . .
C69 C 0.13615(14) -0.2840(2) 0.2328(2) 0.0272(10) Uani 1 1 d . . .
C70 C 0.15640(17) -0.3212(2) 0.2202(2) 0.0384(13) Uani 1 1 d . . .
H70 H 0.1774 -0.3451 0.2485 0.046 Uiso 1 1 calc R . .
C71 C 0.1356(3) -0.3516(5) 0.1692(3) 0.087(3) Uani 1 1 d . . .
H71A H 0.1433 -0.3936 0.1667 0.104 Uiso 1 1 calc R . .
H71B H 0.1091 -0.3438 0.1464 0.104 Uiso 1 1 calc R . .
C72 C 0.1601(4) -0.3005(4) 0.1795(5) 0.109(5) Uani 1 1 d . . .
H72A H 0.1489 -0.2603 0.1630 0.130 Uiso 1 1 calc R . .
H72B H 0.1831 -0.3101 0.1833 0.130 Uiso 1 1 calc R . .
C73 C 0.12691(12) -0.25699(19) 0.33648(17) 0.0208(9) Uani 1 1 d . . .
H73 H 0.1321 -0.2935 0.3226 0.025 Uiso 1 1 calc R . .
C74 C 0.11310(14) -0.2801(2) 0.36681(19) 0.0280(10) Uani 1 1 d . . .
H74A H 0.0912 -0.3060 0.3449 0.034 Uiso 1 1 calc R . .
H74B H 0.1057 -0.2442 0.3781 0.034 Uiso 1 1 calc R . .
C75 C 0.14176(14) -0.3179(2) 0.41312(19) 0.0288(10) Uani 1 1 d . . .
H75A H 0.1322 -0.3289 0.4332 0.035 Uiso 1 1 calc R . .
H75B H 0.1468 -0.3567 0.4020 0.035 Uiso 1 1 calc R . .
C76 C 0.17679(16) -0.2810(2) 0.44570(19) 0.0333(12) Uani 1 1 d . . .
H76A H 0.1956 -0.3072 0.4739 0.040 Uiso 1 1 calc R . .
H76B H 0.1723 -0.2450 0.4603 0.040 Uiso 1 1 calc R . .
C77 C 0.19073(14) -0.2585(2) 0.41483(19) 0.0298(10) Uani 1 1 d . . .
H77A H 0.2130 -0.2333 0.4366 0.036 Uiso 1 1 calc R . .
H77B H 0.1973 -0.2946 0.4028 0.036 Uiso 1 1 calc R . .
C78 C 0.16207(13) -0.2203(2) 0.36992(19) 0.0261(10) Uani 1 1 d . . .
H78A H 0.1714 -0.2076 0.3499 0.031 Uiso 1 1 calc R . .
H78B H 0.1570 -0.1824 0.3821 0.031 Uiso 1 1 calc R . .
C79 C 0.06264(14) -0.1748(2) 0.16593(17) 0.0248(9) Uani 1 1 d . . .
H79 H 0.0861 -0.1805 0.1693 0.030 Uiso 1 1 calc R . .
C80 C 0.04708(15) -0.1107(2) 0.14362(19) 0.0315(11) Uani 1 1 d . . .
H80A H 0.0253 -0.1032 0.1438 0.038 Uiso 1 1 calc R . .
H80B H 0.0655 -0.0788 0.1651 0.038 Uiso 1 1 calc R . .
C81 C 0.03651(18) -0.1044(3) 0.0900(2) 0.0422(14) Uani 1 1 d . . .
H81A H 0.0587 -0.1067 0.0903 0.051 Uiso 1 1 calc R . .
H81B H 0.0252 -0.0633 0.0765 0.051 Uiso 1 1 calc R . .
C82 C 0.00995(19) -0.1546(4) 0.0554(2) 0.0538(18) Uani 1 1 d . . .
H82A H 0.0052 -0.1507 0.0215 0.065 Uiso 1 1 calc R . .
H82B H -0.0135 -0.1493 0.0516 0.065 Uiso 1 1 calc R . .
C83 C 0.02565(19) -0.2191(3) 0.0772(2) 0.0457(15) Uani 1 1 d . . .
H83A H 0.0074 -0.2511 0.0555 0.055 Uiso 1 1 calc R . .
H83B H 0.0476 -0.2262 0.0775 0.055 Uiso 1 1 calc R . .
C84 C 0.03566(16) -0.2249(3) 0.1310(2) 0.0356(12) Uani 1 1 d . . .
H84A H 0.0132 -0.2216 0.1301 0.043 Uiso 1 1 calc R . .
H84B H 0.0465 -0.2661 0.1447 0.043 Uiso 1 1 calc R . .
C85 C -0.01562(13) -0.1372(2) 0.18374(18) 0.0279(10) Uani 1 1 d . . .
H85 H -0.0236 -0.1371 0.1494 0.034 Uiso 1 1 calc R . .
C86 C -0.01057(13) -0.0769(2) 0.20339(19) 0.0264(10) Uani 1 1 d . . .
H86 H -0.0155 -0.0459 0.1794 0.032 Uiso 1 1 calc R . .
C87 C 0.0000 -0.0518(3) 0.2500 0.0273(14) Uani 1 2 d S . .
H87 H 0.0000 -0.0079 0.2500 0.033 Uiso 1 2 calc SR . .
C88 C 0.01163(12) -0.1979(2) 0.29719(18) 0.0239(9) Uani 1 1 d . . .
H88 H 0.0184 -0.2287 0.3221 0.029 Uiso 1 1 calc R . .
C89 C 0.0000 -0.2238(3) 0.2500 0.0254(14) Uani 1 2 d S . .
H89 H 0.0000 -0.2678 0.2500 0.031 Uiso 1 2 calc SR . .
C101 C 0.2111(2) -0.0320(3) 0.6435(3) 0.0493(16) Uani 1 1 d . . .
C102 C 0.2205(2) -0.0833(3) 0.6740(3) 0.0513(16) Uani 1 1 d . . .
H102 H 0.2041 -0.1173 0.6621 0.062 Uiso 1 1 calc R . .
C103 C 0.2533(3) -0.0867(5) 0.7217(3) 0.076(3) Uani 1 1 d . . .
H103 H 0.2591 -0.1231 0.7414 0.091 Uiso 1 1 calc R . .
C104 C 0.2770(3) -0.0382(5) 0.7404(5) 0.091(3) Uani 1 1 d . . .
H104 H 0.2988 -0.0397 0.7735 0.110 Uiso 1 1 calc R . .
C105 C 0.2685(3) 0.0139(5) 0.7099(5) 0.085(3) Uani 1 1 d . . .
H105 H 0.2851 0.0476 0.7218 0.102 Uiso 1 1 calc R . .
C106 C 0.2357(3) 0.0165(4) 0.6618(4) 0.067(2) Uani 1 1 d . . .
H106 H 0.2302 0.0521 0.6414 0.081 Uiso 1 1 calc R . .
C107 C 0.1762(3) -0.0287(4) 0.5929(3) 0.074(3) Uani 1 1 d . . .
H10C H 0.1624 -0.0668 0.5865 0.112 Uiso 1 1 calc R . .
H10D H 0.1811 -0.0238 0.5672 0.112 Uiso 1 1 calc R . .
H10E H 0.1621 0.0068 0.5916 0.112 Uiso 1 1 calc R . .


_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
Nd1 N2 2.403(4) . ?
Nd1 N1 2.424(4) . ?
Nd1 Cl2 2.7895(11) . ?
Nd1 C22 2.815(5) . ?
Nd1 C19 2.822(6) 2 ?
Nd1 C21 2.822(5) . ?
Nd1 C21 2.827(5) 2 ?
Nd1 C20 2.829(5) 2 ?
Nd1 Cl1 2.8289(11) . ?
Nd1 C1 2.831(5) . ?
Nd1 C20 2.833(5) . ?
Nd1 C22 2.839(5) 2 ?
Nd2 N4 2.380(4) . ?
Nd2 N3 2.434(4) . ?
Nd2 Cl1 2.7684(12) . ?
Nd2 C42 2.819(5) . ?
Nd2 C23 2.821(4) . ?
Nd2 C46 2.824(5) . ?
Nd2 C48 2.831(5) . ?
Nd2 Cl2 2.8324(11) . ?
Nd2 C47 2.835(5) . ?
Nd2 C43 2.836(5) . ?
Nd2 C44 2.836(5) . ?
Nd2 C45 2.851(5) . ?
Nd3 N6 2.404(3) . ?
Nd3 N5 2.439(4) . ?
Nd3 Cl4 2.7771(11) . ?
Nd3 C47 2.804(5) . ?
Nd3 Cl3 2.8081(16) . ?
Nd3 C45 2.823(5) . ?
Nd3 C48 2.824(5) . ?
Nd3 C41 2.829(5) . ?
Nd3 C46 2.831(5) . ?
Nd3 C49 2.833(4) . ?
Nd3 C42 2.867(5) . ?
Nd3 C44 2.875(5) . ?
Nd4 N7 2.395(3) . ?
Nd4 N8 2.418(4) . ?
Nd4 Cl3 2.7655(11) . ?
Nd4 C86 2.812(5) . ?
Nd4 C85 2.817(5) . ?
Nd4 C88 2.836(5) . ?
Nd4 C67 2.838(4) . ?
Nd4 Cl4 2.8377(15) . ?
Nd4 C87 2.843(4) . ?
Nd4 C88 2.847(5) 2 ?
Nd4 C85 2.848(5) 2 ?
Nd4 C89 2.858(4) . ?
N1 C1 1.331(6) . ?
N1 C7 1.466(6) . ?
N2 C1 1.341(6) . ?
N2 C13 1.474(6) . ?
N3 C23 1.327(6) . ?
N3 C29 1.458(5) . ?
N4 C23 1.343(6) . ?
N4 C35 1.452(5) . ?
N5 C49 1.339(6) . ?
N5 C55 1.455(6) . ?
N6 C49 1.335(6) . ?
N6 C61 1.476(5) . ?
N7 C67 1.328(6) . ?
N7 C73 1.476(5) . ?
N8 C67 1.331(6) . ?
N8 C79 1.468(5) . ?
C1 C2 1.448(6) . ?
C2 C3 1.214(7) . ?
C3 C4 1.421(7) . ?
C4 C5 1.476(7) . ?
C4 C6 1.547(9) . ?
C5 C6 1.450(11) . ?
C7 C8 1.524(7) . ?
C7 C12 1.530(6) . ?
C8 C9 1.526(6) . ?
C9 C10 1.519(8) . ?
C10 C11 1.522(8) . ?
C11 C12 1.536(7) . ?
C13 C14 1.516(7) . ?
C13 C18 1.531(7) . ?
C14 C15 1.534(7) . ?
C15 C16 1.521(8) . ?
C16 C17 1.530(8) . ?
C17 C18 1.522(7) . ?
C19 C19 1.363(16) 2 ?
C19 C20 1.389(10) . ?
C19 Nd1 2.822(6) 2 ?
C20 C21 1.404(10) . ?
C20 Nd1 2.829(5) 2 ?
C21 C22 1.393(10) . ?
C21 Nd1 2.827(5) 2 ?
C22 C22 1.439(15) 2 ?
C22 Nd1 2.839(5) 2 ?
C23 C24 1.450(6) . ?
C24 C25 1.189(7) . ?
C25 C26 1.447(7) . ?
C26 C27 1.437(10) . ?
C26 C28 1.482(9) . ?
C27 C28 1.631(12) . ?
C29 C30 1.515(7) . ?
C29 C34 1.536(6) . ?
C30 C31 1.518(6) . ?
C31 C32 1.531(8) . ?
C32 C33 1.544(9) . ?
C33 C34 1.531(6) . ?
C35 C40 1.517(6) . ?
C35 C36 1.529(7) . ?
C36 C37 1.531(6) . ?
C37 C38 1.534(7) . ?
C38 C39 1.517(8) . ?
C39 C40 1.525(7) . ?
C41 C42 1.375(9) . ?
C41 C48 1.423(9) . ?
C42 C43 1.423(10) . ?
C43 C44 1.385(10) . ?
C44 C45 1.423(10) . ?
C45 C46 1.416(10) . ?
C46 C47 1.385(10) . ?
C47 C48 1.400(10) . ?
C49 C50 1.456(6) . ?
C50 C51 1.195(7) . ?
C51 C52 1.447(7) . ?
C52 C53 1.489(9) . ?
C52 C54 1.492(10) . ?
C53 C54 1.485(12) . ?
C55 C56 1.523(6) . ?
C55 C60 1.525(6) . ?
C56 C57 1.531(7) . ?
C57 C58 1.528(8) . ?
C58 C59 1.538(8) . ?
C59 C60 1.519(7) . ?
C61 C62 1.528(7) . ?
C61 C66 1.534(6) . ?
C62 C63 1.524(6) . ?
C63 C64 1.526(8) . ?
C64 C65 1.537(8) . ?
C65 C66 1.520(6) . ?
C67 C68 1.446(6) . ?
C68 C69 1.201(7) . ?
C69 C70 1.436(7) . ?
C70 C72 1.485(9) . ?
C70 C71 1.501(11) . ?
C71 C72 1.453(15) . ?
C73 C74 1.513(6) . ?
C73 C78 1.525(7) . ?
C74 C75 1.533(7) . ?
C75 C76 1.520(8) . ?
C76 C77 1.529(7) . ?
C77 C78 1.517(6) . ?
C79 C84 1.530(7) . ?
C79 C80 1.533(7) . ?
C80 C81 1.519(7) . ?
C81 C82 1.522(10) . ?
C82 C83 1.539(10) . ?
C83 C84 1.531(7) . ?
C85 C86 1.411(7) . ?
C85 C88 1.417(7) 2 ?
C85 Nd4 2.848(5) 2 ?
C86 C87 1.403(6) . ?
C86 Nd4 2.862(4) 2 ?
C87 C86 1.403(6) 2 ?
C87 Nd4 2.843(4) 2 ?
C88 C89 1.414(5) . ?
C88 C85 1.417(7) 2 ?
C88 Nd4 2.847(5) 2 ?
C89 C88 1.414(5) 2 ?
C89 Nd4 2.858(4) 2 ?
C101 C102 1.381(9) . ?
C101 C106 1.381(11) . ?
C101 C107 1.479(11) . ?
C102 C103 1.393(12) . ?
C103 C104 1.363(14) . ?
C104 C105 1.399(15) . ?
C105 C106 1.400(14) . ?

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
N2 Nd1 N1 56.05(12) . . ?
N2 Nd1 Cl2 112.87(10) . . ?
N1 Nd1 Cl2 86.89(10) . . ?
N2 Nd1 C22 159.91(18) . . ?
N1 Nd1 C22 140.46(18) . . ?
Cl2 Nd1 C22 83.13(12) . . ?
N2 Nd1 C19 89.26(16) . 2 ?
N1 Nd1 C19 89.67(16) . 2 ?
Cl2 Nd1 C19 150.11(16) . 2 ?
C22 Nd1 C19 80.78(16) . 2 ?
N2 Nd1 C21 159.25(18) . . ?
N1 Nd1 C21 111.99(18) . . ?
Cl2 Nd1 C21 80.92(11) . . ?
C22 Nd1 C21 28.6(2) . . ?
C19 Nd1 C21 72.91(18) 2 . ?
N2 Nd1 C21 105.04(17) . 2 ?
N1 Nd1 C21 141.44(18) . 2 ?
Cl2 Nd1 C21 130.90(16) . 2 ?
C22 Nd1 C21 55.1(2) . 2 ?
C19 Nd1 C21 54.3(2) 2 2 ?
C21 Nd1 C21 73.4(2) . 2 ?
N2 Nd1 C20 89.00(15) . 2 ?
N1 Nd1 C20 112.75(19) . 2 ?
Cl2 Nd1 C20 156.87(14) . 2 ?
C22 Nd1 C20 73.94(18) . 2 ?
C19 Nd1 C20 28.5(2) 2 2 ?
C21 Nd1 C20 80.36(15) . 2 ?
C21 Nd1 C20 28.7(2) 2 2 ?
N2 Nd1 Cl1 84.97(9) . . ?
N1 Nd1 Cl1 126.44(10) . . ?
Cl2 Nd1 Cl1 75.44(3) . . ?
C22 Nd1 Cl1 87.68(14) . . ?
C19 Nd1 Cl1 128.55(16) 2 . ?
C21 Nd1 Cl1 114.32(16) . . ?
C21 Nd1 Cl1 78.11(13) 2 . ?
C20 Nd1 Cl1 100.22(17) 2 . ?
N2 Nd1 C1 28.21(13) . . ?
N1 Nd1 C1 28.00(13) . . ?
Cl2 Nd1 C1 98.94(10) . . ?
C22 Nd1 C1 166.98(17) . . ?
C19 Nd1 C1 91.58(15) 2 . ?
C21 Nd1 C1 138.75(18) . . ?
C21 Nd1 C1 127.80(18) 2 . ?
C20 Nd1 C1 104.09(17) 2 . ?
Cl1 Nd1 C1 105.31(10) . . ?
N2 Nd1 C20 130.7(2) . . ?
N1 Nd1 C20 89.08(16) . . ?
Cl2 Nd1 C20 96.65(16) . . ?
C22 Nd1 C20 54.5(2) . . ?
C19 Nd1 C20 53.6(2) 2 . ?
C21 Nd1 C20 28.7(2) . . ?
C21 Nd1 C20 80.20(16) 2 . ?
C20 Nd1 C20 72.6(2) 2 . ?
Cl1 Nd1 C20 142.19(16) . . ?
C1 Nd1 C20 112.47(18) . . ?
N2 Nd1 C22 130.65(18) . 2 ?
N1 Nd1 C22 160.54(14) . 2 ?
Cl2 Nd1 C22 103.37(15) . 2 ?
C22 Nd1 C22 29.5(3) . 2 ?
C19 Nd1 C22 73.14(18) 2 2 ?
C21 Nd1 C22 54.8(2) . 2 ?
C21 Nd1 C22 28.5(2) 2 2 ?
C20 Nd1 C22 54.3(2) 2 2 ?
Cl1 Nd1 C22 72.66(11) . 2 ?
C1 Nd1 C22 156.11(18) . 2 ?
C20 Nd1 C22 73.49(17) . 2 ?
N4 Nd2 N3 56.19(12) . . ?
N4 Nd2 Cl1 108.01(9) . . ?
N3 Nd2 Cl1 83.05(10) . . ?
N4 Nd2 C42 150.40(18) . . ?
N3 Nd2 C42 146.97(17) . . ?
Cl1 Nd2 C42 95.83(13) . . ?
N4 Nd2 C23 28.33(13) . . ?
N3 Nd2 C23 28.03(13) . . ?
Cl1 Nd2 C23 94.02(9) . . ?
C42 Nd2 C23 167.70(14) . . ?
N4 Nd2 C46 88.39(15) . . ?
N3 Nd2 C46 82.25(15) . . ?
Cl1 Nd2 C46 146.29(16) . . ?
C42 Nd2 C46 80.76(15) . . ?
C23 Nd2 C46 86.95(13) . . ?
N4 Nd2 C48 97.22(16) . . ?
N3 Nd2 C48 131.07(18) . . ?
Cl1 Nd2 C48 145.63(15) . . ?
C42 Nd2 C48 54.3(2) . . ?
C23 Nd2 C48 118.20(17) . . ?
C46 Nd2 C48 54.3(2) . . ?
N4 Nd2 Cl2 85.51(9) . . ?
N3 Nd2 Cl2 127.29(9) . . ?
Cl1 Nd2 Cl2 75.72(4) . . ?
C42 Nd2 Cl2 83.60(14) . . ?
C23 Nd2 Cl2 106.02(9) . . ?
C46 Nd2 Cl2 136.23(16) . . ?
C48 Nd2 Cl2 83.60(13) . . ?
N4 Nd2 C47 84.29(14) . . ?
N3 Nd2 C47 103.02(17) . . ?
Cl1 Nd2 C47 167.56(11) . . ?
C42 Nd2 C47 73.11(17) . . ?
C23 Nd2 C47 96.29(15) . . ?
C46 Nd2 C47 28.3(2) . . ?
C48 Nd2 C47 28.6(2) . . ?
Cl2 Nd2 C47 107.90(15) . . ?
N4 Nd2 C43 162.05(16) . . ?
N3 Nd2 C43 118.26(19) . . ?
Cl1 Nd2 C43 87.01(11) . . ?
C42 Nd2 C43 29.2(2) . . ?
C23 Nd2 C43 144.84(19) . . ?
C46 Nd2 C43 73.72(17) . . ?
C48 Nd2 C43 73.64(17) . . ?
Cl2 Nd2 C43 108.25(17) . . ?
C47 Nd2 C43 80.55(15) . . ?
N4 Nd2 C44 136.58(19) . . ?
N3 Nd2 C44 92.61(16) . . ?
Cl1 Nd2 C44 95.50(13) . . ?
C42 Nd2 C44 54.5(2) . . ?
C23 Nd2 C44 117.16(18) . . ?
C46 Nd2 C44 55.2(2) . . ?
C48 Nd2 C44 80.85(14) . . ?
Cl2 Nd2 C44 136.49(16) . . ?
C47 Nd2 C44 73.58(17) . . ?
C43 Nd2 C44 28.3(2) . . ?
N4 Nd2 C45 108.74(18) . . ?
N3 Nd2 C45 78.22(14) . . ?
Cl1 Nd2 C45 117.96(16) . . ?
C42 Nd2 C45 73.23(18) . . ?
C23 Nd2 C45 95.62(16) . . ?
C46 Nd2 C45 28.9(2) . . ?
C48 Nd2 C45 73.09(17) . . ?
Cl2 Nd2 C45 153.81(11) . . ?
C47 Nd2 C45 54.1(2) . . ?
C43 Nd2 C45 54.2(2) . . ?
C44 Nd2 C45 29.0(2) . . ?
N6 Nd3 N5 55.96(12) . . ?
N6 Nd3 Cl4 110.35(9) . . ?
N5 Nd3 Cl4 83.19(9) . . ?
N6 Nd3 C47 90.47(15) . . ?
N5 Nd3 C47 86.84(15) . . ?
Cl4 Nd3 C47 145.66(15) . . ?
N6 Nd3 Cl3 83.48(9) . . ?
N5 Nd3 Cl3 124.63(9) . . ?
Cl4 Nd3 Cl3 77.36(3) . . ?
C47 Nd3 Cl3 133.72(15) . . ?
N6 Nd3 C45 136.91(19) . . ?
N5 Nd3 C45 93.78(16) . . ?
Cl4 Nd3 C45 93.21(14) . . ?
C47 Nd3 C45 54.7(2) . . ?
Cl3 Nd3 C45 138.14(16) . . ?
N6 Nd3 C48 86.78(14) . . ?
N5 Nd3 C48 108.12(17) . . ?
Cl4 Nd3 C48 162.85(11) . . ?
C47 Nd3 C48 28.8(2) . . ?
Cl3 Nd3 C48 104.93(15) . . ?
C45 Nd3 C48 73.61(17) . . ?
N6 Nd3 C41 100.19(15) . . ?
N5 Nd3 C41 136.70(17) . . ?
Cl4 Nd3 C41 139.74(15) . . ?
C47 Nd3 C41 55.11(19) . . ?
Cl3 Nd3 C41 80.84(12) . . ?
C45 Nd3 C41 81.03(15) . . ?
C48 Nd3 C41 29.15(19) . . ?
N6 Nd3 C46 109.47(17) . . ?
N5 Nd3 C46 81.22(14) . . ?
Cl4 Nd3 C46 117.26(16) . . ?
C47 Nd3 C46 28.4(2) . . ?
Cl3 Nd3 C46 153.00(11) . . ?
C45 Nd3 C46 29.0(2) . . ?
C48 Nd3 C46 54.3(2) . . ?
C41 Nd3 C46 73.70(16) . . ?
N6 Nd3 C49 28.03(13) . . ?
N5 Nd3 C49 28.18(12) . . ?
Cl4 Nd3 C49 95.09(9) . . ?
C47 Nd3 C49 91.26(14) . . ?
Cl3 Nd3 C49 103.02(10) . . ?
C45 Nd3 C49 118.52(18) . . ?
C48 Nd3 C49 100.82(15) . . ?
C41 Nd3 C49 122.77(16) . . ?
C46 Nd3 C49 98.28(15) . . ?
N6 Nd3 C42 124.64(18) . . ?
N5 Nd3 C42 159.56(14) . . ?
Cl4 Nd3 C42 112.38(15) . . ?
C47 Nd3 C42 72.83(17) . . ?
Cl3 Nd3 C42 73.45(11) . . ?
C45 Nd3 C42 72.92(17) . . ?
C48 Nd3 C42 53.82(19) . . ?
C41 Nd3 C42 27.92(19) . . ?
C46 Nd3 C42 79.81(15) . . ?
C49 Nd3 C42 150.18(18) . . ?
N6 Nd3 C44 163.72(15) . . ?
N5 Nd3 C44 119.03(18) . . ?
Cl4 Nd3 C44 82.93(10) . . ?
C47 Nd3 C44 73.45(17) . . ?
Cl3 Nd3 C44 109.32(16) . . ?
C45 Nd3 C44 28.9(2) . . ?
C48 Nd3 C44 80.30(14) . . ?
C41 Nd3 C44 72.94(16) . . ?
C46 Nd3 C44 54.7(2) . . ?
C49 Nd3 C44 146.22(19) . . ?
C42 Nd3 C44 53.6(2) . . ?
N7 Nd4 N8 55.57(13) . . ?
N7 Nd4 Cl3 108.71(10) . . ?
N8 Nd4 Cl3 84.46(10) . . ?
N7 Nd4 C86 150.81(14) . . ?
N8 Nd4 C86 100.51(14) . . ?
Cl3 Nd4 C86 82.31(10) . . ?
N7 Nd4 C85 122.69(14) . . ?
N8 Nd4 C85 82.07(14) . . ?
Cl3 Nd4 C85 102.64(11) . . ?
C86 Nd4 C85 29.03(15) . . ?
N7 Nd4 C88 98.16(13) . . ?
N8 Nd4 C88 124.28(14) . . ?
Cl3 Nd4 C88 149.12(10) . . ?
C86 Nd4 C88 81.41(13) . . ?
C85 Nd4 C88 73.81(14) . . ?
N7 Nd4 C67 27.80(13) . . ?
N8 Nd4 C67 27.92(13) . . ?
Cl3 Nd4 C67 95.43(9) . . ?
C86 Nd4 C67 127.46(14) . . ?
C85 Nd4 C67 104.58(14) . . ?
C88 Nd4 C67 115.29(13) . . ?
N7 Nd4 Cl4 86.48(10) . . ?
N8 Nd4 Cl4 129.28(10) . . ?
Cl3 Nd4 Cl4 77.05(3) . . ?
C86 Nd4 Cl4 122.65(11) . . ?
C85 Nd4 Cl4 147.82(10) . . ?
C88 Nd4 Cl4 90.02(10) . . ?
C67 Nd4 Cl4 107.50(10) . . ?
N7 Nd4 C87 172.03(13) . . ?
N8 Nd4 C87 127.96(9) . . ?
Cl3 Nd4 C87 79.19(9) . . ?
C86 Nd4 C87 28.73(11) . . ?
C85 Nd4 C87 54.71(12) . . ?
C88 Nd4 C87 73.93(13) . . ?
C67 Nd4 C87 155.72(9) . . ?
Cl4 Nd4 C87 94.46(6) . . ?
N7 Nd4 C88 100.93(13) . 2 ?
N8 Nd4 C88 81.09(14) . 2 ?
Cl3 Nd4 C88 130.87(10) . 2 ?
C86 Nd4 C88 55.08(14) . 2 ?
C85 Nd4 C88 28.97(14) . 2 ?
C88 Nd4 C88 54.39(18) . 2 ?
C67 Nd4 C88 93.10(13) . 2 ?
Cl4 Nd4 C88 144.21(10) . 2 ?
C87 Nd4 C88 73.77(12) . 2 ?
N7 Nd4 C85 118.72(14) . 2 ?
N8 Nd4 C85 152.10(14) . 2 ?
Cl3 Nd4 C85 120.64(11) . 2 ?
C86 Nd4 C85 73.52(14) . 2 ?
C85 Nd4 C85 80.60(15) . 2 ?
C88 Nd4 C85 28.87(14) . 2 ?
C67 Nd4 C85 141.93(14) . 2 ?
Cl4 Nd4 C85 72.62(10) . 2 ?
C87 Nd4 C85 54.39(12) . 2 ?
C88 Nd4 C85 73.18(14) 2 2 ?
N7 Nd4 C89 91.11(13) . . ?
N8 Nd4 C89 97.45(11) . . ?
Cl3 Nd4 C89 156.64(8) . . ?
C86 Nd4 C89 74.44(13) . . ?
C85 Nd4 C89 54.98(12) . . ?
C88 Nd4 C89 28.76(10) . . ?
C67 Nd4 C89 96.92(12) . . ?
Cl4 Nd4 C89 117.52(3) . . ?
C87 Nd4 C89 81.42(13) . . ?
C88 Nd4 C89 28.70(10) 2 . ?
C85 Nd4 C89 54.66(12) 2 . ?
Nd2 Cl1 Nd1 104.02(4) . . ?
Nd1 Cl2 Nd2 103.38(4) . . ?
Nd4 Cl3 Nd3 103.01(3) . . ?
Nd3 Cl4 Nd4 101.96(3) . . ?
C1 N1 C7 120.0(4) . . ?
C1 N1 Nd1 93.2(3) . . ?
C7 N1 Nd1 146.1(3) . . ?
C1 N2 C13 120.1(4) . . ?
C1 N2 Nd1 93.9(3) . . ?
C13 N2 Nd1 144.9(3) . . ?
C23 N3 C29 120.0(4) . . ?
C23 N3 Nd2 92.4(3) . . ?
C29 N3 Nd2 146.5(3) . . ?
C23 N4 C35 120.3(4) . . ?
C23 N4 Nd2 94.4(3) . . ?
C35 N4 Nd2 143.5(3) . . ?
C49 N5 C55 119.8(4) . . ?
C49 N5 Nd3 92.5(3) . . ?
C55 N5 Nd3 147.3(3) . . ?
C49 N6 C61 120.1(4) . . ?
C49 N6 Nd3 94.1(3) . . ?
C61 N6 Nd3 144.1(3) . . ?
C67 N7 C73 120.5(4) . . ?
C67 N7 Nd4 95.0(3) . . ?
C73 N7 Nd4 143.0(3) . . ?
C67 N8 C79 119.9(4) . . ?
C67 N8 Nd4 93.8(3) . . ?
C79 N8 Nd4 146.1(3) . . ?
N1 C1 N2 116.2(4) . . ?
N1 C1 C2 122.4(4) . . ?
N2 C1 C2 121.4(4) . . ?
N1 C1 Nd1 58.8(2) . . ?
N2 C1 Nd1 57.9(2) . . ?
C2 C1 Nd1 172.2(3) . . ?
C3 C2 C1 174.4(5) . . ?
C2 C3 C4 175.7(5) . . ?
C3 C4 C5 120.7(5) . . ?
C3 C4 C6 117.5(5) . . ?
C5 C4 C6 57.3(5) . . ?
C6 C5 C4 63.8(5) . . ?
C5 C6 C4 58.9(4) . . ?
N1 C7 C8 109.1(3) . . ?
N1 C7 C12 111.1(4) . . ?
C8 C7 C12 109.8(4) . . ?
C7 C8 C9 112.2(4) . . ?
C10 C9 C8 111.2(5) . . ?
C9 C10 C11 110.6(4) . . ?
C10 C11 C12 111.1(4) . . ?
C7 C12 C11 111.0(4) . . ?
N2 C13 C14 108.2(4) . . ?
N2 C13 C18 112.0(4) . . ?
C14 C13 C18 111.2(4) . . ?
C13 C14 C15 111.5(4) . . ?
C16 C15 C14 111.2(4) . . ?
C15 C16 C17 111.7(5) . . ?
C18 C17 C16 111.3(4) . . ?
C17 C18 C13 111.1(4) . . ?
C19 C19 C20 135.7(4) 2 . ?
C19 C19 Nd1 77.0(4) 2 2 ?
C20 C19 Nd1 76.1(3) . 2 ?
C19 C19 Nd1 75.2(4) 2 . ?
C20 C19 Nd1 75.4(3) . . ?
Nd1 C19 Nd1 99.49(17) 2 . ?
C19 C20 C21 134.8(5) . . ?
C19 C20 Nd1 75.5(3) . 2 ?
C21 C20 Nd1 75.6(3) . 2 ?
C19 C20 Nd1 76.2(3) . . ?
C21 C20 Nd1 75.2(3) . . ?
Nd1 C20 Nd1 99.55(18) 2 . ?
C22 C21 C20 135.4(5) . . ?
C22 C21 Nd1 75.4(3) . . ?
C20 C21 Nd1 76.1(3) . . ?
C22 C21 Nd1 76.3(3) . 2 ?
C20 C21 Nd1 75.7(3) . 2 ?
Nd1 C21 Nd1 99.86(16) . 2 ?
C21 C22 C22 134.1(3) . 2 ?
C21 C22 Nd1 76.0(3) . . ?
C22 C22 Nd1 76.2(3) 2 . ?
C21 C22 Nd1 75.3(3) . 2 ?
C22 C22 Nd1 74.3(4) 2 2 ?
Nd1 C22 Nd1 99.74(16) . 2 ?
N3 C23 N4 116.3(4) . . ?
N3 C23 C24 123.3(4) . . ?
N4 C23 C24 120.4(4) . . ?
N3 C23 Nd2 59.6(2) . . ?
N4 C23 Nd2 57.3(2) . . ?
C24 C23 Nd2 172.8(3) . . ?
C25 C24 C23 174.2(5) . . ?
C24 C25 C26 176.9(6) . . ?
C27 C26 C25 116.9(6) . . ?
C27 C26 C28 67.9(6) . . ?
C25 C26 C28 119.5(6) . . ?
C26 C27 C28 57.4(5) . . ?
C26 C28 C27 54.7(5) . . ?
N3 C29 C30 110.3(4) . . ?
N3 C29 C34 111.0(4) . . ?
C30 C29 C34 110.0(4) . . ?
C29 C30 C31 112.5(4) . . ?
C30 C31 C32 111.2(4) . . ?
C31 C32 C33 110.8(5) . . ?
C34 C33 C32 110.7(5) . . ?
C33 C34 C29 111.0(4) . . ?
N4 C35 C40 112.0(4) . . ?
N4 C35 C36 109.8(4) . . ?
C40 C35 C36 110.1(4) . . ?
C35 C36 C37 111.0(4) . . ?
C36 C37 C38 111.0(4) . . ?
C39 C38 C37 111.7(4) . . ?
C38 C39 C40 112.1(4) . . ?
C35 C40 C39 110.8(4) . . ?
C42 C41 C48 134.1(5) . . ?
C42 C41 Nd3 77.6(3) . . ?
C48 C41 Nd3 75.2(3) . . ?
C42 C41 Nd2 74.3(3) . . ?
C48 C41 Nd2 74.4(3) . . ?
Nd3 C41 Nd2 99.28(15) . . ?
C41 C42 C43 136.4(5) . . ?
C41 C42 Nd2 77.6(3) . . ?
C43 C42 Nd2 76.1(3) . . ?
C41 C42 Nd3 74.5(3) . . ?
C43 C42 Nd3 76.1(3) . . ?
Nd2 C42 Nd3 99.33(17) . . ?
C44 C43 C42 134.6(5) . . ?
C44 C43 Nd2 75.9(3) . . ?
C42 C43 Nd2 74.7(3) . . ?
C44 C43 Nd3 75.9(3) . . ?
C42 C43 Nd3 75.2(3) . . ?
Nd2 C43 Nd3 98.64(16) . . ?
C43 C44 C45 134.5(5) . . ?
C43 C44 Nd2 75.9(3) . . ?
C45 C44 Nd2 76.1(3) . . ?
C43 C44 Nd3 76.3(3) . . ?
C45 C44 Nd3 73.5(3) . . ?
Nd2 C44 Nd3 98.75(16) . . ?
C46 C45 C44 134.9(5) . . ?
C46 C45 Nd3 75.8(3) . . ?
C44 C45 Nd3 77.6(3) . . ?
C46 C45 Nd2 74.5(3) . . ?
C44 C45 Nd2 74.9(3) . . ?
Nd3 C45 Nd2 99.63(17) . . ?
C47 C46 C45 134.7(5) . . ?
C47 C46 Nd2 76.3(3) . . ?
C45 C46 Nd2 76.6(3) . . ?
C47 C46 Nd3 74.7(3) . . ?
C45 C46 Nd3 75.2(3) . . ?
Nd2 C46 Nd3 100.09(16) . . ?
C46 C47 C48 135.7(5) . . ?
C46 C47 Nd3 76.9(3) . . ?
C48 C47 Nd3 76.4(3) . . ?
C46 C47 Nd2 75.4(3) . . ?
C48 C47 Nd2 75.5(3) . . ?
Nd3 C47 Nd2 100.49(17) . . ?
C47 C48 C41 134.8(5) . . ?
C47 C48 Nd3 74.8(3) . . ?
C41 C48 Nd3 75.6(3) . . ?
C47 C48 Nd2 75.9(3) . . ?
C41 C48 Nd2 76.6(3) . . ?
Nd3 C48 Nd2 100.09(16) . . ?
N6 C49 N5 116.4(4) . . ?
N6 C49 C50 121.4(4) . . ?
N5 C49 C50 122.2(4) . . ?
N6 C49 Nd3 57.8(2) . . ?
N5 C49 Nd3 59.3(2) . . ?
C50 C49 Nd3 169.4(3) . . ?
C51 C50 C49 173.0(5) . . ?
C50 C51 C52 176.0(6) . . ?
C51 C52 C53 118.2(6) . . ?
C51 C52 C54 117.4(6) . . ?
C53 C52 C54 59.7(6) . . ?
C54 C53 C52 60.2(5) . . ?
C53 C54 C52 60.0(5) . . ?
N5 C55 C56 110.7(4) . . ?
N5 C55 C60 110.3(4) . . ?
C56 C55 C60 110.0(4) . . ?
C55 C56 C57 110.4(4) . . ?
C58 C57 C56 111.9(4) . . ?
C57 C58 C59 111.0(4) . . ?
C60 C59 C58 110.4(4) . . ?
C59 C60 C55 112.2(4) . . ?
N6 C61 C62 108.2(3) . . ?
N6 C61 C66 112.5(4) . . ?
C62 C61 C66 110.5(4) . . ?
C63 C62 C61 111.0(4) . . ?
C62 C63 C64 110.5(4) . . ?
C63 C64 C65 111.0(5) . . ?
C66 C65 C64 111.0(4) . . ?
C65 C66 C61 110.5(4) . . ?
N7 C67 N8 115.0(4) . . ?
N7 C67 C68 122.6(4) . . ?
N8 C67 C68 122.4(4) . . ?
N7 C67 Nd4 57.2(2) . . ?
N8 C67 Nd4 58.3(2) . . ?
C68 C67 Nd4 174.6(3) . . ?
C69 C68 C67 177.3(6) . . ?
C68 C69 C70 177.9(6) . . ?
C69 C70 C72 119.6(5) . . ?
C69 C70 C71 117.6(6) . . ?
C72 C70 C71 58.2(7) . . ?
C72 C71 C70 60.3(6) . . ?
C71 C72 C70 61.4(5) . . ?
N7 C73 C74 108.8(4) . . ?
N7 C73 C78 111.8(3) . . ?
C74 C73 C78 110.6(4) . . ?
C73 C74 C75 112.6(4) . . ?
C76 C75 C74 110.5(4) . . ?
C75 C76 C77 111.1(4) . . ?
C78 C77 C76 111.1(4) . . ?
C77 C78 C73 110.9(4) . . ?
N8 C79 C84 110.6(4) . . ?
N8 C79 C80 108.9(4) . . ?
C84 C79 C80 109.8(4) . . ?
C81 C80 C79 112.2(4) . . ?
C80 C81 C82 112.0(5) . . ?
C81 C82 C83 110.5(5) . . ?
C84 C83 C82 110.7(5) . . ?
C79 C84 C83 111.9(5) . . ?
C86 C85 C88 135.4(4) . 2 ?
C86 C85 Nd4 75.3(3) . . ?
C88 C85 Nd4 76.7(3) 2 . ?
C86 C85 Nd4 76.2(3) . 2 ?
C88 C85 Nd4 75.1(3) 2 2 ?
Nd4 C85 Nd4 99.40(15) . 2 ?
C87 C86 C85 135.1(5) . . ?
C87 C86 Nd4 76.8(2) . . ?
C85 C86 Nd4 75.7(3) . . ?
C87 C86 Nd4 75.0(2) . 2 ?
C85 C86 Nd4 75.2(3) . 2 ?
Nd4 C86 Nd4 99.21(14) . 2 ?
C86 C87 C86 134.6(6) . 2 ?
C86 C87 Nd4 74.4(3) . . ?
C86 C87 Nd4 76.5(3) 2 . ?
C86 C87 Nd4 76.5(3) . 2 ?
C86 C87 Nd4 74.4(3) 2 2 ?
Nd4 C87 Nd4 98.92(19) . 2 ?
C89 C88 C85 135.4(5) . 2 ?
C89 C88 Nd4 76.5(2) . . ?
C85 C88 Nd4 76.1(3) 2 . ?
C89 C88 Nd4 76.1(2) . 2 ?
C85 C88 Nd4 74.4(3) 2 2 ?
Nd4 C88 Nd4 99.01(14) . 2 ?
C88 C89 C88 133.4(6) 2 . ?
C88 C89 Nd4 75.2(3) 2 . ?
C88 C89 Nd4 74.8(3) . . ?
C88 C89 Nd4 74.8(3) 2 2 ?
C88 C89 Nd4 75.2(3) . 2 ?
Nd4 C89 Nd4 98.24(19) . 2 ?
C102 C101 C106 117.6(8) . . ?
C102 C101 C107 121.5(7) . . ?
C106 C101 C107 120.9(7) . . ?
C101 C102 C103 121.8(8) . . ?
C104 C103 C102 120.6(9) . . ?
C103 C104 C105 118.7(10) . . ?
C104 C105 C106 120.1(9) . . ?
C101 C106 C105 121.1(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 Nd2 Cl1 Nd1 71.17(10) . . . . ?
N3 Nd2 Cl1 Nd1 122.19(9) . . . . ?
C42 Nd2 Cl1 Nd1 -91.04(15) . . . . ?
C23 Nd2 Cl1 Nd1 96.35(10) . . . . ?
C46 Nd2 Cl1 Nd1 -173.12(18) . . . . ?
C48 Nd2 Cl1 Nd1 -64.01(18) . . . . ?
Cl2 Nd2 Cl1 Nd1 -9.17(3) . . . . ?
C47 Nd2 Cl1 Nd1 -117.7(7) . . . . ?
C43 Nd2 Cl1 Nd1 -118.86(17) . . . . ?
C44 Nd2 Cl1 Nd1 -145.84(15) . . . . ?
C45 Nd2 Cl1 Nd1 -165.12(14) . . . . ?
N2 Nd1 Cl1 Nd2 -105.88(10) . . . . ?
N1 Nd1 Cl1 Nd2 -65.51(12) . . . . ?
Cl2 Nd1 Cl1 Nd2 9.33(3) . . . . ?
C22 Nd1 Cl1 Nd2 92.83(14) . . . . ?
C19 Nd1 Cl1 Nd2 169.10(15) 2 . . . ?
C21 Nd1 Cl1 Nd2 82.09(12) . . . . ?
C21 Nd1 Cl1 Nd2 147.57(15) 2 . . . ?
C20 Nd1 Cl1 Nd2 166.05(12) 2 . . . ?
C1 Nd1 Cl1 Nd2 -86.15(10) . . . . ?
C20 Nd1 Cl1 Nd2 91.3(2) . . . . ?
C22 Nd1 Cl1 Nd2 118.68(17) 2 . . . ?
N2 Nd1 Cl2 Nd2 68.91(10) . . . . ?
N1 Nd1 Cl2 Nd2 119.87(9) . . . . ?
C22 Nd1 Cl2 Nd2 -98.47(16) . . . . ?
C19 Nd1 Cl2 Nd2 -156.2(3) 2 . . . ?
C21 Nd1 Cl2 Nd2 -127.28(16) . . . . ?
C21 Nd1 Cl2 Nd2 -68.65(14) 2 . . . ?
C20 Nd1 Cl2 Nd2 -91.0(4) 2 . . . ?
Cl1 Nd1 Cl2 Nd2 -9.09(3) . . . . ?
C1 Nd1 Cl2 Nd2 94.51(10) . . . . ?
C20 Nd1 Cl2 Nd2 -151.42(14) . . . . ?
C22 Nd1 Cl2 Nd2 -76.87(12) 2 . . . ?
N4 Nd2 Cl2 Nd1 -100.59(9) . . . . ?
N3 Nd2 Cl2 Nd1 -60.18(12) . . . . ?
Cl1 Nd2 Cl2 Nd1 9.28(3) . . . . ?
C42 Nd2 Cl2 Nd1 106.98(14) . . . . ?
C23 Nd2 Cl2 Nd1 -80.84(10) . . . . ?
C46 Nd2 Cl2 Nd1 176.46(16) . . . . ?
C48 Nd2 Cl2 Nd1 161.61(14) . . . . ?
C47 Nd2 Cl2 Nd1 176.89(11) . . . . ?
C43 Nd2 Cl2 Nd1 91.20(12) . . . . ?
C44 Nd2 Cl2 Nd1 92.13(17) . . . . ?
C45 Nd2 Cl2 Nd1 134.6(4) . . . . ?
N7 Nd4 Cl3 Nd3 -75.69(11) . . . . ?
N8 Nd4 Cl3 Nd3 -126.45(10) . . . . ?
C86 Nd4 Cl3 Nd3 132.14(11) . . . . ?
C85 Nd4 Cl3 Nd3 152.98(10) . . . . ?
C88 Nd4 Cl3 Nd3 73.44(19) . . . . ?
C67 Nd4 Cl3 Nd3 -100.74(10) . . . . ?
Cl4 Nd4 Cl3 Nd3 6.01(3) . . . . ?
C87 Nd4 Cl3 Nd3 103.19(5) . . . . ?
C88 Nd4 Cl3 Nd3 160.40(12) 2 . . . ?
C85 Nd4 Cl3 Nd3 66.51(12) 2 . . . ?
C89 Nd4 Cl3 Nd3 137.58(14) . . . . ?
N6 Nd3 Cl3 Nd4 106.48(9) . . . . ?
N5 Nd3 Cl3 Nd4 66.26(11) . . . . ?
Cl4 Nd3 Cl3 Nd4 -6.13(3) . . . . ?
C47 Nd3 Cl3 Nd4 -169.15(16) . . . . ?
C45 Nd3 Cl3 Nd4 -86.68(18) . . . . ?
C48 Nd3 Cl3 Nd4 -168.63(11) . . . . ?
C41 Nd3 Cl3 Nd4 -152.06(13) . . . . ?
C46 Nd3 Cl3 Nd4 -132.5(4) . . . . ?
C49 Nd3 Cl3 Nd4 86.24(9) . . . . ?
C42 Nd3 Cl3 Nd4 -124.41(17) . . . . ?
C44 Nd3 Cl3 Nd4 -83.87(11) . . . . ?
N6 Nd3 Cl4 Nd4 -72.08(10) . . . . ?
N5 Nd3 Cl4 Nd4 -121.88(9) . . . . ?
C47 Nd3 Cl4 Nd4 164.0(2) . . . . ?
Cl3 Nd3 Cl4 Nd4 5.95(3) . . . . ?
C45 Nd3 Cl4 Nd4 144.70(15) . . . . ?
C48 Nd3 Cl4 Nd4 105.7(5) . . . . ?
C41 Nd3 Cl4 Nd4 64.80(16) . . . . ?
C46 Nd3 Cl4 Nd4 161.68(12) . . . . ?
C49 Nd3 Cl4 Nd4 -96.28(10) . . . . ?
C42 Nd3 Cl4 Nd4 71.86(13) . . . . ?
C44 Nd3 Cl4 Nd4 117.64(17) . . . . ?
N7 Nd4 Cl4 Nd3 104.07(9) . . . . ?
N8 Nd4 Cl4 Nd3 65.53(12) . . . . ?
Cl3 Nd4 Cl4 Nd3 -6.05(3) . . . . ?
C86 Nd4 Cl4 Nd3 -77.96(11) . . . . ?
C85 Nd4 Cl4 Nd3 -99.3(2) . . . . ?
C88 Nd4 Cl4 Nd3 -157.76(10) . . . . ?
C67 Nd4 Cl4 Nd3 85.63(10) . . . . ?
C87 Nd4 Cl4 Nd3 -83.87(9) . . . . ?
C88 Nd4 Cl4 Nd3 -152.07(16) 2 . . . ?
C85 Nd4 Cl4 Nd3 -134.35(12) 2 . . . ?
C89 Nd4 Cl4 Nd3 -166.51(11) . . . . ?
N2 Nd1 N1 C1 4.7(2) . . . . ?
Cl2 Nd1 N1 C1 -115.7(3) . . . . ?
C22 Nd1 N1 C1 169.0(3) . . . . ?
C19 Nd1 N1 C1 94.0(3) 2 . . . ?
C21 Nd1 N1 C1 165.4(3) . . . . ?
C21 Nd1 N1 C1 74.6(3) 2 . . . ?
C20 Nd1 N1 C1 76.9(3) 2 . . . ?
Cl1 Nd1 N1 C1 -46.4(3) . . . . ?
C20 Nd1 N1 C1 147.6(3) . . . . ?
C22 Nd1 N1 C1 121.5(6) 2 . . . ?
N2 Nd1 N1 C7 173.7(6) . . . . ?
Cl2 Nd1 N1 C7 53.3(5) . . . . ?
C22 Nd1 N1 C7 -21.9(6) . . . . ?
C19 Nd1 N1 C7 -97.0(5) 2 . . . ?
C21 Nd1 N1 C7 -25.6(6) . . . . ?
C21 Nd1 N1 C7 -116.3(5) 2 . . . ?
C20 Nd1 N1 C7 -114.0(5) 2 . . . ?
Cl1 Nd1 N1 C7 122.7(5) . . . . ?
C1 Nd1 N1 C7 169.0(7) . . . . ?
C20 Nd1 N1 C7 -43.4(6) . . . . ?
C22 Nd1 N1 C7 -69.4(8) 2 . . . ?
N1 Nd1 N2 C1 -4.6(2) . . . . ?
Cl2 Nd1 N2 C1 64.6(3) . . . . ?
C22 Nd1 N2 C1 -154.6(4) . . . . ?
C19 Nd1 N2 C1 -94.7(3) 2 . . . ?
C21 Nd1 N2 C1 -64.4(5) . . . . ?
C21 Nd1 N2 C1 -147.3(3) 2 . . . ?
C20 Nd1 N2 C1 -123.2(3) 2 . . . ?
Cl1 Nd1 N2 C1 136.4(3) . . . . ?
C20 Nd1 N2 C1 -57.4(3) . . . . ?
C22 Nd1 N2 C1 -161.6(3) 2 . . . ?
N1 Nd1 N2 C13 -171.0(6) . . . . ?
Cl2 Nd1 N2 C13 -101.8(5) . . . . ?
C22 Nd1 N2 C13 39.1(8) . . . . ?
C19 Nd1 N2 C13 98.9(5) 2 . . . ?
C21 Nd1 N2 C13 129.2(5) . . . . ?
C21 Nd1 N2 C13 46.4(6) 2 . . . ?
C20 Nd1 N2 C13 70.5(5) 2 . . . ?
Cl1 Nd1 N2 C13 -29.9(5) . . . . ?
C1 Nd1 N2 C13 -166.3(7) . . . . ?
C20 Nd1 N2 C13 136.3(5) . . . . ?
C22 Nd1 N2 C13 32.1(6) 2 . . . ?
N4 Nd2 N3 C23 4.9(2) . . . . ?
Cl1 Nd2 N3 C23 -112.3(2) . . . . ?
C42 Nd2 N3 C23 157.7(3) . . . . ?
C46 Nd2 N3 C23 98.1(3) . . . . ?
C48 Nd2 N3 C23 72.4(3) . . . . ?
Cl2 Nd2 N3 C23 -46.2(3) . . . . ?
C47 Nd2 N3 C23 78.8(3) . . . . ?
C43 Nd2 N3 C23 164.9(2) . . . . ?
C44 Nd2 N3 C23 152.5(3) . . . . ?
C45 Nd2 N3 C23 127.2(3) . . . . ?
N4 Nd2 N3 C29 171.2(6) . . . . ?
Cl1 Nd2 N3 C29 54.0(5) . . . . ?
C42 Nd2 N3 C29 -36.0(7) . . . . ?
C23 Nd2 N3 C29 166.3(7) . . . . ?
C46 Nd2 N3 C29 -95.6(5) . . . . ?
C48 Nd2 N3 C29 -121.3(5) . . . . ?
Cl2 Nd2 N3 C29 120.1(5) . . . . ?
C47 Nd2 N3 C29 -114.9(5) . . . . ?
C43 Nd2 N3 C29 -28.8(6) . . . . ?
C44 Nd2 N3 C29 -41.2(5) . . . . ?
C45 Nd2 N3 C29 -66.5(5) . . . . ?
N3 Nd2 N4 C23 -4.8(2) . . . . ?
Cl1 Nd2 N4 C23 63.4(3) . . . . ?
C42 Nd2 N4 C23 -154.6(3) . . . . ?
C46 Nd2 N4 C23 -86.6(3) . . . . ?
C48 Nd2 N4 C23 -140.2(3) . . . . ?
Cl2 Nd2 N4 C23 136.8(2) . . . . ?
C47 Nd2 N4 C23 -114.7(3) . . . . ?
C43 Nd2 N4 C23 -82.2(6) . . . . ?
C44 Nd2 N4 C23 -55.9(3) . . . . ?
C45 Nd2 N4 C23 -65.7(3) . . . . ?
N3 Nd2 N4 C35 -167.5(5) . . . . ?
Cl1 Nd2 N4 C35 -99.3(5) . . . . ?
C42 Nd2 N4 C35 42.7(6) . . . . ?
C23 Nd2 N4 C35 -162.7(6) . . . . ?
C46 Nd2 N4 C35 110.7(5) . . . . ?
C48 Nd2 N4 C35 57.1(5) . . . . ?
Cl2 Nd2 N4 C35 -25.9(5) . . . . ?
C47 Nd2 N4 C35 82.7(5) . . . . ?
C43 Nd2 N4 C35 115.1(7) . . . . ?
C44 Nd2 N4 C35 141.4(5) . . . . ?
C45 Nd2 N4 C35 131.6(5) . . . . ?
N6 Nd3 N5 C49 -5.9(2) . . . . ?
Cl4 Nd3 N5 C49 114.3(2) . . . . ?
C47 Nd3 N5 C49 -98.6(3) . . . . ?
Cl3 Nd3 N5 C49 44.8(3) . . . . ?
C45 Nd3 N5 C49 -152.9(3) . . . . ?
C48 Nd3 N5 C49 -78.9(3) . . . . ?
C41 Nd3 N5 C49 -72.0(3) . . . . ?
C46 Nd3 N5 C49 -126.7(3) . . . . ?
C42 Nd3 N5 C49 -104.6(5) . . . . ?
C44 Nd3 N5 C49 -167.7(2) . . . . ?
N6 Nd3 N5 C55 -177.5(6) . . . . ?
Cl4 Nd3 N5 C55 -57.2(5) . . . . ?
C47 Nd3 N5 C55 89.8(5) . . . . ?
Cl3 Nd3 N5 C55 -126.7(5) . . . . ?
C45 Nd3 N5 C55 35.6(5) . . . . ?
C48 Nd3 N5 C55 109.5(5) . . . . ?
C41 Nd3 N5 C55 116.5(5) . . . . ?
C46 Nd3 N5 C55 61.8(5) . . . . ?
C49 Nd3 N5 C55 -171.6(7) . . . . ?
C42 Nd3 N5 C55 83.8(7) . . . . ?
C44 Nd3 N5 C55 20.8(6) . . . . ?
N5 Nd3 N6 C49 5.9(2) . . . . ?
Cl4 Nd3 N6 C49 -60.3(3) . . . . ?
C47 Nd3 N6 C49 91.8(3) . . . . ?
Cl3 Nd3 N6 C49 -134.2(2) . . . . ?
C45 Nd3 N6 C49 58.6(3) . . . . ?
C48 Nd3 N6 C49 120.4(3) . . . . ?
C41 Nd3 N6 C49 146.4(3) . . . . ?
C46 Nd3 N6 C49 70.2(3) . . . . ?
C42 Nd3 N6 C49 161.1(2) . . . . ?
C44 Nd3 N6 C49 83.0(6) . . . . ?
N5 Nd3 N6 C61 169.1(5) . . . . ?
Cl4 Nd3 N6 C61 102.9(5) . . . . ?
C47 Nd3 N6 C61 -105.0(5) . . . . ?
Cl3 Nd3 N6 C61 29.0(5) . . . . ?
C45 Nd3 N6 C61 -138.2(4) . . . . ?
C48 Nd3 N6 C61 -76.4(5) . . . . ?
C41 Nd3 N6 C61 -50.5(5) . . . . ?
C46 Nd3 N6 C61 -126.6(5) . . . . ?
C49 Nd3 N6 C61 163.2(6) . . . . ?
C42 Nd3 N6 C61 -35.7(5) . . . . ?
C44 Nd3 N6 C61 -113.8(7) . . . . ?
N8 Nd4 N7 C67 4.5(3) . . . . ?
Cl3 Nd4 N7 C67 -64.6(3) . . . . ?
C86 Nd4 N7 C67 43.8(4) . . . . ?
C85 Nd4 N7 C67 54.8(3) . . . . ?
C88 Nd4 N7 C67 130.8(3) . . . . ?
Cl4 Nd4 N7 C67 -139.7(3) . . . . ?
C87 Nd4 N7 C67 123.3(7) . . . . ?
C88 Nd4 N7 C67 75.6(3) 2 . . . ?
C85 Nd4 N7 C67 152.3(3) 2 . . . ?
C89 Nd4 N7 C67 102.8(3) . . . . ?
N8 Nd4 N7 C73 168.6(5) . . . . ?
Cl3 Nd4 N7 C73 99.4(5) . . . . ?
C86 Nd4 N7 C73 -152.1(4) . . . . ?
C85 Nd4 N7 C73 -141.1(5) . . . . ?
C88 Nd4 N7 C73 -65.1(5) . . . . ?
C67 Nd4 N7 C73 164.1(6) . . . . ?
Cl4 Nd4 N7 C73 24.4(5) . . . . ?
C87 Nd4 N7 C73 -72.6(10) . . . . ?
C88 Nd4 N7 C73 -120.3(5) 2 . . . ?
C85 Nd4 N7 C73 -43.6(5) 2 . . . ?
C89 Nd4 N7 C73 -93.1(5) . . . . ?
N7 Nd4 N8 C67 -4.5(2) . . . . ?
Cl3 Nd4 N8 C67 112.7(3) . . . . ?
C86 Nd4 N8 C67 -166.2(3) . . . . ?
C85 Nd4 N8 C67 -143.7(3) . . . . ?
C88 Nd4 N8 C67 -79.5(3) . . . . ?
Cl4 Nd4 N8 C67 44.4(3) . . . . ?
C87 Nd4 N8 C67 -175.6(2) . . . . ?
C88 Nd4 N8 C67 -114.4(3) 2 . . . ?
C85 Nd4 N8 C67 -91.6(4) 2 . . . ?
C89 Nd4 N8 C67 -90.7(3) . . . . ?
N7 Nd4 N8 C79 -179.1(6) . . . . ?
Cl3 Nd4 N8 C79 -61.9(6) . . . . ?
C86 Nd4 N8 C79 19.2(6) . . . . ?
C85 Nd4 N8 C79 41.7(6) . . . . ?
C88 Nd4 N8 C79 105.9(6) . . . . ?
C67 Nd4 N8 C79 -174.6(7) . . . . ?
Cl4 Nd4 N8 C79 -130.2(5) . . . . ?
C87 Nd4 N8 C79 9.8(6) . . . . ?
C88 Nd4 N8 C79 71.0(6) 2 . . . ?
C85 Nd4 N8 C79 93.7(6) 2 . . . ?
C89 Nd4 N8 C79 94.7(6) . . . . ?
C7 N1 C1 N2 179.3(4) . . . . ?
Nd1 N1 C1 N2 -7.8(4) . . . . ?
C7 N1 C1 C2 -2.0(6) . . . . ?
Nd1 N1 C1 C2 170.9(4) . . . . ?
C7 N1 C1 Nd1 -173.0(4) . . . . ?
C13 N2 C1 N1 178.8(4) . . . . ?
Nd1 N2 C1 N1 7.8(4) . . . . ?
C13 N2 C1 C2 0.1(6) . . . . ?
Nd1 N2 C1 C2 -170.9(4) . . . . ?
C13 N2 C1 Nd1 171.0(5) . . . . ?
N2 Nd1 C1 N1 -171.8(4) . . . . ?
Cl2 Nd1 C1 N1 65.6(3) . . . . ?
C22 Nd1 C1 N1 -32.6(8) . . . . ?
C19 Nd1 C1 N1 -86.3(3) 2 . . . ?
C21 Nd1 C1 N1 -20.8(4) . . . . ?
C21 Nd1 C1 N1 -130.5(3) 2 . . . ?
C20 Nd1 C1 N1 -112.2(3) 2 . . . ?
Cl1 Nd1 C1 N1 142.9(2) . . . . ?
C20 Nd1 C1 N1 -35.4(3) . . . . ?
C22 Nd1 C1 N1 -135.5(4) 2 . . . ?
N1 Nd1 C1 N2 171.8(4) . . . . ?
Cl2 Nd1 C1 N2 -122.6(3) . . . . ?
C22 Nd1 C1 N2 139.2(7) . . . . ?
C19 Nd1 C1 N2 85.5(3) 2 . . . ?
C21 Nd1 C1 N2 151.0(3) . . . . ?
C21 Nd1 C1 N2 41.3(3) 2 . . . ?
C20 Nd1 C1 N2 59.6(3) 2 . . . ?
Cl1 Nd1 C1 N2 -45.4(3) . . . . ?
C20 Nd1 C1 N2 136.3(3) . . . . ?
C22 Nd1 C1 N2 36.3(5) 2 . . . ?
N2 Nd1 C1 C2 87(2) . . . . ?
N1 Nd1 C1 C2 -101(3) . . . . ?
Cl2 Nd1 C1 C2 -36(3) . . . . ?
C22 Nd1 C1 C2 -134(2) . . . . ?
C19 Nd1 C1 C2 172(2) 2 . . . ?
C21 Nd1 C1 C2 -122(2) . . . . ?
C21 Nd1 C1 C2 128(2) 2 . . . ?
C20 Nd1 C1 C2 147(2) 2 . . . ?
Cl1 Nd1 C1 C2 42(3) . . . . ?
C20 Nd1 C1 C2 -137(2) . . . . ?
C22 Nd1 C1 C2 123(2) 2 . . . ?
N1 C1 C2 C3 -170(5) . . . . ?
N2 C1 C2 C3 9(6) . . . . ?
Nd1 C1 C2 C3 -74(6) . . . . ?
C1 C2 C3 C4 -15(11) . . . . ?
C2 C3 C4 C5 29(8) . . . . ?
C2 C3 C4 C6 -37(8) . . . . ?
C3 C4 C5 C6 -104.9(7) . . . . ?
C3 C4 C6 C5 110.4(6) . . . . ?
C1 N1 C7 C8 151.3(4) . . . . ?
Nd1 N1 C7 C8 -16.1(7) . . . . ?
C1 N1 C7 C12 -87.5(5) . . . . ?
Nd1 N1 C7 C12 105.1(5) . . . . ?
N1 C7 C8 C9 177.6(4) . . . . ?
C12 C7 C8 C9 55.6(6) . . . . ?
C7 C8 C9 C10 -56.0(6) . . . . ?
C8 C9 C10 C11 55.6(6) . . . . ?
C9 C10 C11 C12 -56.4(6) . . . . ?
N1 C7 C12 C11 -176.6(4) . . . . ?
C8 C7 C12 C11 -55.9(5) . . . . ?
C10 C11 C12 C7 57.1(6) . . . . ?
C1 N2 C13 C14 152.2(4) . . . . ?
Nd1 N2 C13 C14 -43.6(7) . . . . ?
C1 N2 C13 C18 -84.9(5) . . . . ?
Nd1 N2 C13 C18 79.3(6) . . . . ?
N2 C13 C14 C15 179.0(4) . . . . ?
C18 C13 C14 C15 55.5(5) . . . . ?
C13 C14 C15 C16 -54.8(6) . . . . ?
C14 C15 C16 C17 54.3(6) . . . . ?
C15 C16 C17 C18 -54.9(6) . . . . ?
C16 C17 C18 C13 55.3(6) . . . . ?
N2 C13 C18 C17 -177.2(4) . . . . ?
C14 C13 C18 C17 -55.9(5) . . . . ?
N2 Nd1 C19 C19 -56.8(3) . . . 2 ?
N1 Nd1 C19 C19 -107.6(3) . . . 2 ?
Cl2 Nd1 C19 C19 172.3(3) . . . 2 ?
C22 Nd1 C19 C19 102.3(3) . . . 2 ?
C21 Nd1 C19 C19 126.4(4) . . . 2 ?
C21 Nd1 C19 C19 44.5(3) 2 . . 2 ?
C20 Nd1 C19 C19 20.1(3) 2 . . 2 ?
Cl1 Nd1 C19 C19 50.6(4) . . . 2 ?
C1 Nd1 C19 C19 -83.6(3) . . . 2 ?
C20 Nd1 C19 C19 146.5(5) . . . 2 ?
C22 Nd1 C19 C19 72.8(3) 2 . . 2 ?
N2 Nd1 C19 C20 156.7(3) . . . . ?
N1 Nd1 C19 C20 105.9(3) . . . . ?
Cl2 Nd1 C19 C20 25.8(4) . . . . ?
C22 Nd1 C19 C20 -44.2(3) . . . . ?
C19 Nd1 C19 C20 -146.5(5) 2 . . . ?
C21 Nd1 C19 C20 -20.1(3) . . . . ?
C21 Nd1 C19 C20 -102.0(4) 2 . . . ?
C20 Nd1 C19 C20 -126.4(4) 2 . . . ?
Cl1 Nd1 C19 C20 -95.9(5) . . . . ?
C1 Nd1 C19 C20 129.9(3) . . . . ?
C22 Nd1 C19 C20 -73.7(4) 2 . . . ?
N2 Nd1 C19 Nd1 -130.52(19) . . . 2 ?
N1 Nd1 C19 Nd1 178.7(2) . . . 2 ?
Cl2 Nd1 C19 Nd1 98.61(19) . . . 2 ?
C22 Nd1 C19 Nd1 28.6(2) . . . 2 ?
C19 Nd1 C19 Nd1 -73.7(3) 2 . . 2 ?
C21 Nd1 C19 Nd1 52.7(2) . . . 2 ?
C21 Nd1 C19 Nd1 -29.2(2) 2 . . 2 ?
C20 Nd1 C19 Nd1 -53.6(2) 2 . . 2 ?
Cl1 Nd1 C19 Nd1 -23.1(5) . . . 2 ?
C1 Nd1 C19 Nd1 -157.3(2) . . . 2 ?
C20 Nd1 C19 Nd1 72.8(3) . . . 2 ?
C22 Nd1 C19 Nd1 -0.9(2) 2 . . 2 ?
C19 C19 C20 C21 2.3(14) 2 . . . ?
Nd1 C19 C20 C21 -51.7(7) 2 . . . ?
Nd1 C19 C20 C21 52.2(6) . . . . ?
C19 C19 C20 Nd1 54.0(9) 2 . . 2 ?
Nd1 C19 C20 Nd1 103.88(14) . . . 2 ?
C19 C19 C20 Nd1 -49.9(9) 2 . . . ?
Nd1 C19 C20 Nd1 -103.88(14) 2 . . . ?
N2 Nd1 C20 C19 -30.3(4) . . . . ?
N1 Nd1 C20 C19 -71.6(3) . . . . ?
Cl2 Nd1 C20 C19 -158.3(3) . . . . ?
C22 Nd1 C20 C19 125.0(4) . . . . ?
C19 Nd1 C20 C19 18.7(3) 2 . . . ?
C21 Nd1 C20 C19 144.5(5) . . . . ?
C21 Nd1 C20 C19 71.2(4) 2 . . . ?
C20 Nd1 C20 C19 42.6(4) 2 . . . ?
Cl1 Nd1 C20 C19 126.9(4) . . . . ?
C1 Nd1 C20 C19 -55.8(4) . . . . ?
C22 Nd1 C20 C19 99.6(4) 2 . . . ?
N2 Nd1 C20 C21 -174.8(3) . . . . ?
N1 Nd1 C20 C21 143.9(3) . . . . ?
Cl2 Nd1 C20 C21 57.1(3) . . . . ?
C22 Nd1 C20 C21 -19.5(3) . . . . ?
C19 Nd1 C20 C21 -125.9(4) 2 . . . ?
C21 Nd1 C20 C21 -73.3(4) 2 . . . ?
C20 Nd1 C20 C21 -101.9(4) 2 . . . ?
Cl1 Nd1 C20 C21 -17.7(5) . . . . ?
C1 Nd1 C20 C21 159.7(3) . . . . ?
C22 Nd1 C20 C21 -44.9(3) 2 . . . ?
N2 Nd1 C20 Nd1 -102.6(2) . . . 2 ?
N1 Nd1 C20 Nd1 -143.9(2) . . . 2 ?
Cl2 Nd1 C20 Nd1 129.3(2) . . . 2 ?
C22 Nd1 C20 Nd1 52.6(2) . . . 2 ?
C19 Nd1 C20 Nd1 -53.7(2) 2 . . 2 ?
C21 Nd1 C20 Nd1 72.2(3) . . . 2 ?
C21 Nd1 C20 Nd1 -1.2(3) 2 . . 2 ?
C20 Nd1 C20 Nd1 -29.7(3) 2 . . 2 ?
Cl1 Nd1 C20 Nd1 54.5(4) . . . 2 ?
C1 Nd1 C20 Nd1 -128.14(19) . . . 2 ?
C22 Nd1 C20 Nd1 27.3(2) 2 . . 2 ?
C19 C20 C21 C22 -0.9(11) . . . . ?
Nd1 C20 C21 C22 -52.6(6) 2 . . . ?
Nd1 C20 C21 C22 51.6(6) . . . . ?
C19 C20 C21 Nd1 -52.5(7) . . . . ?
Nd1 C20 C21 Nd1 -104.20(14) 2 . . . ?
C19 C20 C21 Nd1 51.7(7) . . . 2 ?
Nd1 C20 C21 Nd1 104.20(14) . . . 2 ?
N2 Nd1 C21 C22 -134.2(5) . . . . ?
N1 Nd1 C21 C22 175.2(3) . . . . ?
Cl2 Nd1 C21 C22 92.3(3) . . . . ?
C19 Nd1 C21 C22 -102.3(4) 2 . . . ?
C21 Nd1 C21 C22 -45.4(4) 2 . . . ?
C20 Nd1 C21 C22 -74.1(4) 2 . . . ?
Cl1 Nd1 C21 C22 22.9(3) . . . . ?
C1 Nd1 C21 C22 -174.5(3) . . . . ?
C20 Nd1 C21 C22 -145.3(5) . . . . ?
C22 Nd1 C21 C22 -21.2(3) 2 . . . ?
N2 Nd1 C21 C20 11.2(6) . . . . ?
N1 Nd1 C21 C20 -39.5(4) . . . . ?
Cl2 Nd1 C21 C20 -122.4(3) . . . . ?
C22 Nd1 C21 C20 145.3(5) . . . . ?
C19 Nd1 C21 C20 43.0(4) 2 . . . ?
C21 Nd1 C21 C20 100.0(4) 2 . . . ?
C20 Nd1 C21 C20 71.3(4) 2 . . . ?
Cl1 Nd1 C21 C20 168.2(3) . . . . ?
C1 Nd1 C21 C20 -29.1(4) . . . . ?
C22 Nd1 C21 C20 124.1(4) 2 . . . ?
N2 Nd1 C21 Nd1 -61.3(5) . . . 2 ?
N1 Nd1 C21 Nd1 -111.9(2) . . . 2 ?
Cl2 Nd1 C21 Nd1 165.2(2) . . . 2 ?
C22 Nd1 C21 Nd1 72.9(3) . . . 2 ?
C19 Nd1 C21 Nd1 -29.4(2) 2 . . 2 ?
C21 Nd1 C21 Nd1 27.5(3) 2 . . 2 ?
C20 Nd1 C21 Nd1 -1.2(3) 2 . . 2 ?
Cl1 Nd1 C21 Nd1 95.77(19) . . . 2 ?
C1 Nd1 C21 Nd1 -101.6(2) . . . 2 ?
C20 Nd1 C21 Nd1 -72.5(3) . . . 2 ?
C22 Nd1 C21 Nd1 51.7(2) 2 . . 2 ?
C20 C21 C22 C22 2.5(13) . . . 2 ?
Nd1 C21 C22 C22 54.3(8) . . . 2 ?
Nd1 C21 C22 C22 -49.9(8) 2 . . 2 ?
C20 C21 C22 Nd1 -51.8(6) . . . . ?
Nd1 C21 C22 Nd1 -104.23(13) 2 . . . ?
C20 C21 C22 Nd1 52.4(6) . . . 2 ?
Nd1 C21 C22 Nd1 104.23(13) . . . 2 ?
N2 Nd1 C22 C21 132.3(5) . . . . ?
N1 Nd1 C22 C21 -7.0(4) . . . . ?
Cl2 Nd1 C22 C21 -83.6(3) . . . . ?
C19 Nd1 C22 C21 71.1(4) 2 . . . ?
C21 Nd1 C22 C21 123.7(4) 2 . . . ?
C20 Nd1 C22 C21 99.4(4) 2 . . . ?
Cl1 Nd1 C22 C21 -159.2(3) . . . . ?
C1 Nd1 C22 C21 16.4(9) . . . . ?
C20 Nd1 C22 C21 19.6(3) . . . . ?
C22 Nd1 C22 C21 143.1(5) 2 . . . ?
N2 Nd1 C22 C22 -10.8(5) . . . 2 ?
N1 Nd1 C22 C22 -150.1(2) . . . 2 ?
Cl2 Nd1 C22 C22 133.3(3) . . . 2 ?
C19 Nd1 C22 C22 -72.0(3) 2 . . 2 ?
C21 Nd1 C22 C22 -143.1(5) . . . 2 ?
C21 Nd1 C22 C22 -19.4(3) 2 . . 2 ?
C20 Nd1 C22 C22 -43.6(3) 2 . . 2 ?
Cl1 Nd1 C22 C22 57.7(2) . . . 2 ?
C1 Nd1 C22 C22 -126.7(6) . . . 2 ?
C20 Nd1 C22 C22 -123.4(4) . . . 2 ?
N2 Nd1 C22 Nd1 60.2(5) . . . 2 ?
N1 Nd1 C22 Nd1 -79.0(3) . . . 2 ?
Cl2 Nd1 C22 Nd1 -155.6(2) . . . 2 ?
C19 Nd1 C22 Nd1 -0.9(2) 2 . . 2 ?
C21 Nd1 C22 Nd1 -72.0(3) . . . 2 ?
C21 Nd1 C22 Nd1 51.7(2) 2 . . 2 ?
C20 Nd1 C22 Nd1 27.4(2) 2 . . 2 ?
Cl1 Nd1 C22 Nd1 128.75(19) . . . 2 ?
C1 Nd1 C22 Nd1 -55.6(8) . . . 2 ?
C20 Nd1 C22 Nd1 -52.4(2) . . . 2 ?
C22 Nd1 C22 Nd1 71.0(3) 2 . . 2 ?
C29 N3 C23 N4 -179.4(4) . . . . ?
Nd2 N3 C23 N4 -8.0(4) . . . . ?
C29 N3 C23 C24 0.9(6) . . . . ?
Nd2 N3 C23 C24 172.2(4) . . . . ?
C29 N3 C23 Nd2 -171.3(4) . . . . ?
C35 N4 C23 N3 176.4(4) . . . . ?
Nd2 N4 C23 N3 8.2(4) . . . . ?
C35 N4 C23 C24 -3.9(6) . . . . ?
Nd2 N4 C23 C24 -172.0(4) . . . . ?
C35 N4 C23 Nd2 168.2(4) . . . . ?
N4 Nd2 C23 N3 -171.4(4) . . . . ?
Cl1 Nd2 C23 N3 67.0(2) . . . . ?
C42 Nd2 C23 N3 -76.1(9) . . . . ?
C46 Nd2 C23 N3 -79.2(3) . . . . ?
C48 Nd2 C23 N3 -125.4(3) . . . . ?
Cl2 Nd2 C23 N3 143.3(2) . . . . ?
C47 Nd2 C23 N3 -106.0(3) . . . . ?
C43 Nd2 C23 N3 -23.5(4) . . . . ?
C44 Nd2 C23 N3 -31.2(3) . . . . ?
C45 Nd2 C23 N3 -51.6(3) . . . . ?
N3 Nd2 C23 N4 171.4(4) . . . . ?
Cl1 Nd2 C23 N4 -121.5(2) . . . . ?
C42 Nd2 C23 N4 95.4(9) . . . . ?
C46 Nd2 C23 N4 92.3(3) . . . . ?
C48 Nd2 C23 N4 46.1(3) . . . . ?
Cl2 Nd2 C23 N4 -45.2(3) . . . . ?
C47 Nd2 C23 N4 65.5(3) . . . . ?
C43 Nd2 C23 N4 148.0(3) . . . . ?
C44 Nd2 C23 N4 140.2(3) . . . . ?
C45 Nd2 C23 N4 119.9(3) . . . . ?
N4 Nd2 C23 C24 73(3) . . . . ?
N3 Nd2 C23 C24 -116(3) . . . . ?
Cl1 Nd2 C23 C24 -49(3) . . . . ?
C42 Nd2 C23 C24 168(2) . . . . ?
C46 Nd2 C23 C24 165(3) . . . . ?
C48 Nd2 C23 C24 119(3) . . . . ?
Cl2 Nd2 C23 C24 28(3) . . . . ?
C47 Nd2 C23 C24 138(3) . . . . ?
C43 Nd2 C23 C24 -139(3) . . . . ?
C44 Nd2 C23 C24 -147(3) . . . . ?
C45 Nd2 C23 C24 -167(3) . . . . ?
N3 C23 C24 C25 156(5) . . . . ?
N4 C23 C24 C25 -23(6) . . . . ?
Nd2 C23 C24 C25 -92(6) . . . . ?
C23 C24 C25 C26 45(16) . . . . ?
C24 C25 C26 C27 26(13) . . . . ?
C24 C25 C26 C28 104(12) . . . . ?
C25 C26 C27 C28 113.0(7) . . . . ?
C25 C26 C28 C27 -109.3(7) . . . . ?
C23 N3 C29 C30 149.5(4) . . . . ?
Nd2 N3 C29 C30 -14.7(7) . . . . ?
C23 N3 C29 C34 -88.3(5) . . . . ?
Nd2 N3 C29 C34 107.5(6) . . . . ?
N3 C29 C30 C31 179.2(4) . . . . ?
C34 C29 C30 C31 56.4(6) . . . . ?
C29 C30 C31 C32 -55.7(7) . . . . ?
C30 C31 C32 C33 54.4(7) . . . . ?
C31 C32 C33 C34 -55.4(7) . . . . ?
C32 C33 C34 C29 56.9(6) . . . . ?
N3 C29 C34 C33 -179.3(5) . . . . ?
C30 C29 C34 C33 -56.9(6) . . . . ?
C23 N4 C35 C40 -80.4(5) . . . . ?
Nd2 N4 C35 C40 79.5(6) . . . . ?
C23 N4 C35 C36 157.0(4) . . . . ?
Nd2 N4 C35 C36 -43.1(6) . . . . ?
N4 C35 C36 C37 -178.0(4) . . . . ?
C40 C35 C36 C37 58.3(5) . . . . ?
C35 C36 C37 C38 -55.7(6) . . . . ?
C36 C37 C38 C39 53.0(6) . . . . ?
C37 C38 C39 C40 -53.3(6) . . . . ?
N4 C35 C40 C39 179.7(4) . . . . ?
C36 C35 C40 C39 -57.9(5) . . . . ?
C38 C39 C40 C35 55.9(6) . . . . ?
N6 Nd3 C41 C42 153.4(3) . . . . ?
N5 Nd3 C41 C42 -156.3(3) . . . . ?
Cl4 Nd3 C41 C42 14.0(4) . . . . ?
C47 Nd3 C41 C42 -123.2(4) . . . . ?
Cl3 Nd3 C41 C42 71.8(3) . . . . ?
C45 Nd3 C41 C42 -70.3(3) . . . . ?
C48 Nd3 C41 C42 -142.6(5) . . . . ?
C46 Nd3 C41 C42 -99.1(3) . . . . ?
C49 Nd3 C41 C42 171.5(3) . . . . ?
C44 Nd3 C41 C42 -41.8(3) . . . . ?
N6 Nd3 C41 C48 -63.9(3) . . . . ?
N5 Nd3 C41 C48 -13.6(4) . . . . ?
Cl4 Nd3 C41 C48 156.7(2) . . . . ?
C47 Nd3 C41 C48 19.4(3) . . . . ?
Cl3 Nd3 C41 C48 -145.6(3) . . . . ?
C45 Nd3 C41 C48 72.3(3) . . . . ?
C46 Nd3 C41 C48 43.5(3) . . . . ?
C49 Nd3 C41 C48 -45.9(3) . . . . ?
C42 Nd3 C41 C48 142.6(5) . . . . ?
C44 Nd3 C41 C48 100.9(3) . . . . ?
N6 Nd3 C41 Nd2 -134.99(18) . . . . ?
N5 Nd3 C41 Nd2 -84.7(2) . . . . ?
Cl4 Nd3 C41 Nd2 85.6(2) . . . . ?
C47 Nd3 C41 Nd2 -51.6(2) . . . . ?
Cl3 Nd3 C41 Nd2 143.40(19) . . . . ?
C45 Nd3 C41 Nd2 1.3(2) . . . . ?
C48 Nd3 C41 Nd2 -71.0(3) . . . . ?
C46 Nd3 C41 Nd2 -27.5(2) . . . . ?
C49 Nd3 C41 Nd2 -116.95(17) . . . . ?
C42 Nd3 C41 Nd2 71.6(3) . . . . ?
C44 Nd3 C41 Nd2 29.8(2) . . . . ?
N4 Nd2 C41 C42 178.9(3) . . . . ?
N3 Nd2 C41 C42 100.2(5) . . . . ?
Cl1 Nd2 C41 C42 -43.5(3) . . . . ?
C23 Nd2 C41 C42 157.9(3) . . . . ?
C46 Nd2 C41 C42 101.9(4) . . . . ?
C48 Nd2 C41 C42 145.9(5) . . . . ?
Cl2 Nd2 C41 C42 -107.4(3) . . . . ?
C47 Nd2 C41 C42 125.6(4) . . . . ?
C43 Nd2 C41 C42 20.2(3) . . . . ?
C44 Nd2 C41 C42 44.0(3) . . . . ?
C45 Nd2 C41 C42 72.9(4) . . . . ?
N4 Nd2 C41 C48 32.9(3) . . . . ?
N3 Nd2 C41 C48 -45.7(5) . . . . ?
Cl1 Nd2 C41 C48 170.6(3) . . . . ?
C42 Nd2 C41 C48 -145.9(5) . . . . ?
C23 Nd2 C41 C48 12.0(4) . . . . ?
C46 Nd2 C41 C48 -44.1(3) . . . . ?
Cl2 Nd2 C41 C48 106.6(3) . . . . ?
C47 Nd2 C41 C48 -20.3(3) . . . . ?
C43 Nd2 C41 C48 -125.7(4) . . . . ?
C44 Nd2 C41 C48 -102.0(3) . . . . ?
C45 Nd2 C41 C48 -73.0(3) . . . . ?
N4 Nd2 C41 Nd3 104.66(19) . . . . ?
N3 Nd2 C41 Nd3 26.0(5) . . . . ?
Cl1 Nd2 C41 Nd3 -117.71(15) . . . . ?
C42 Nd2 C41 Nd3 -74.2(3) . . . . ?
C23 Nd2 C41 Nd3 83.7(3) . . . . ?
C46 Nd2 C41 Nd3 27.6(2) . . . . ?
C48 Nd2 C41 Nd3 71.7(3) . . . . ?
Cl2 Nd2 C41 Nd3 178.3(2) . . . . ?
C47 Nd2 C41 Nd3 51.38(19) . . . . ?
C43 Nd2 C41 Nd3 -54.0(2) . . . . ?
C44 Nd2 C41 Nd3 -30.2(2) . . . . ?
C45 Nd2 C41 Nd3 -1.3(2) . . . . ?
C48 C41 C42 C43 -5.4(11) . . . . ?
Nd3 C41 C42 C43 49.4(6) . . . . ?
Nd2 C41 C42 C43 -54.1(6) . . . . ?
C48 C41 C42 Nd2 48.7(6) . . . . ?
Nd3 C41 C42 Nd2 103.48(13) . . . . ?
C48 C41 C42 Nd3 -54.8(6) . . . . ?
Nd2 C41 C42 Nd3 -103.48(13) . . . . ?
N4 Nd2 C42 C41 -1.9(5) . . . . ?
N3 Nd2 C42 C41 -131.7(4) . . . . ?
Cl1 Nd2 C42 C41 142.1(3) . . . . ?
C23 Nd2 C42 C41 -74.9(10) . . . . ?
C46 Nd2 C42 C41 -71.8(3) . . . . ?
C48 Nd2 C42 C41 -19.5(3) . . . . ?
Cl2 Nd2 C42 C41 67.2(3) . . . . ?
C47 Nd2 C42 C41 -43.7(3) . . . . ?
C43 Nd2 C42 C41 -144.8(5) . . . . ?
C44 Nd2 C42 C41 -125.3(4) . . . . ?
C45 Nd2 C42 C41 -100.5(3) . . . . ?
N4 Nd2 C42 C43 142.9(3) . . . . ?
N3 Nd2 C42 C43 13.1(5) . . . . ?
Cl1 Nd2 C42 C43 -73.1(3) . . . . ?
C23 Nd2 C42 C43 69.9(10) . . . . ?
C46 Nd2 C42 C43 73.0(4) . . . . ?
C48 Nd2 C42 C43 125.3(4) . . . . ?
Cl2 Nd2 C42 C43 -148.0(3) . . . . ?
C47 Nd2 C42 C43 101.1(3) . . . . ?
C44 Nd2 C42 C43 19.5(3) . . . . ?
C45 Nd2 C42 C43 44.4(3) . . . . ?
N4 Nd2 C42 Nd3 69.8(4) . . . . ?
N3 Nd2 C42 Nd3 -60.0(4) . . . . ?
Cl1 Nd2 C42 Nd3 -146.21(17) . . . . ?
C23 Nd2 C42 Nd3 -3.2(10) . . . . ?
C46 Nd2 C42 Nd3 -0.1(2) . . . . ?
C48 Nd2 C42 Nd3 52.2(2) . . . . ?
Cl2 Nd2 C42 Nd3 138.9(2) . . . . ?
C47 Nd2 C42 Nd3 28.0(2) . . . . ?
C43 Nd2 C42 Nd3 -73.1(3) . . . . ?
C44 Nd2 C42 Nd3 -53.6(2) . . . . ?
C45 Nd2 C42 Nd3 -28.7(2) . . . . ?
N6 Nd3 C42 C41 -32.4(4) . . . . ?
N5 Nd3 C42 C41 52.2(7) . . . . ?
Cl4 Nd3 C42 C41 -170.2(3) . . . . ?
C47 Nd3 C42 C41 45.9(3) . . . . ?
Cl3 Nd3 C42 C41 -101.9(3) . . . . ?
C45 Nd3 C42 C41 103.4(4) . . . . ?
C48 Nd3 C42 C41 21.5(3) . . . . ?
C46 Nd3 C42 C41 74.4(3) . . . . ?
C49 Nd3 C42 C41 -14.5(5) . . . . ?
C44 Nd3 C42 C41 127.7(4) . . . . ?
N6 Nd3 C42 C43 -179.7(3) . . . . ?
N5 Nd3 C42 C43 -95.1(6) . . . . ?
Cl4 Nd3 C42 C43 42.4(3) . . . . ?
C47 Nd3 C42 C43 -101.4(3) . . . . ?
Cl3 Nd3 C42 C43 110.7(3) . . . . ?
C45 Nd3 C42 C43 -44.0(3) . . . . ?
C48 Nd3 C42 C43 -125.9(4) . . . . ?
C41 Nd3 C42 C43 -147.4(5) . . . . ?
C46 Nd3 C42 C43 -73.0(3) . . . . ?
C49 Nd3 C42 C43 -161.9(3) . . . . ?
C44 Nd3 C42 C43 -19.6(3) . . . . ?
N6 Nd3 C42 Nd2 -106.6(2) . . . . ?
N5 Nd3 C42 Nd2 -22.1(6) . . . . ?
Cl4 Nd3 C42 Nd2 115.48(17) . . . . ?
C47 Nd3 C42 Nd2 -28.4(2) . . . . ?
Cl3 Nd3 C42 Nd2 -176.2(2) . . . . ?
C45 Nd3 C42 Nd2 29.1(2) . . . . ?
C48 Nd3 C42 Nd2 -52.8(2) . . . . ?
C41 Nd3 C42 Nd2 -74.3(3) . . . . ?
C46 Nd3 C42 Nd2 0.1(2) . . . . ?
C49 Nd3 C42 Nd2 -88.8(3) . . . . ?
C44 Nd3 C42 Nd2 53.4(2) . . . . ?
C41 C42 C43 C44 3.2(11) . . . . ?
Nd2 C42 C43 C44 -51.4(6) . . . . ?
Nd3 C42 C43 C44 52.1(6) . . . . ?
C41 C42 C43 Nd2 54.6(6) . . . . ?
Nd3 C42 C43 Nd2 103.48(14) . . . . ?
C41 C42 C43 Nd3 -48.9(6) . . . . ?
Nd2 C42 C43 Nd3 -103.48(14) . . . . ?
N4 Nd2 C43 C44 40.0(7) . . . . ?
N3 Nd2 C43 C44 -27.0(4) . . . . ?
Cl1 Nd2 C43 C44 -107.5(3) . . . . ?
C42 Nd2 C43 C44 145.0(5) . . . . ?
C23 Nd2 C43 C44 -14.7(5) . . . . ?
C46 Nd2 C43 C44 44.6(3) . . . . ?
C48 Nd2 C43 C44 101.3(3) . . . . ?
Cl2 Nd2 C43 C44 178.7(3) . . . . ?
C47 Nd2 C43 C44 72.8(3) . . . . ?
C45 Nd2 C43 C44 20.6(3) . . . . ?
N4 Nd2 C43 C42 -104.9(6) . . . . ?
N3 Nd2 C43 C42 -171.9(3) . . . . ?
Cl1 Nd2 C43 C42 107.6(3) . . . . ?
C23 Nd2 C43 C42 -159.7(3) . . . . ?
C46 Nd2 C43 C42 -100.4(4) . . . . ?
C48 Nd2 C43 C42 -43.6(3) . . . . ?
Cl2 Nd2 C43 C42 33.7(3) . . . . ?
C47 Nd2 C43 C42 -72.2(3) . . . . ?
C44 Nd2 C43 C42 -145.0(5) . . . . ?
C45 Nd2 C43 C42 -124.3(4) . . . . ?
N4 Nd2 C43 Nd3 -32.9(7) . . . . ?
N3 Nd2 C43 Nd3 -100.0(2) . . . . ?
Cl1 Nd2 C43 Nd3 179.6(2) . . . . ?
C42 Nd2 C43 Nd3 72.0(3) . . . . ?
C23 Nd2 C43 Nd3 -87.7(3) . . . . ?
C46 Nd2 C43 Nd3 -28.4(2) . . . . ?
C48 Nd2 C43 Nd3 28.3(2) . . . . ?
Cl2 Nd2 C43 Nd3 105.67(18) . . . . ?
C47 Nd2 C43 Nd3 -0.2(2) . . . . ?
C44 Nd2 C43 Nd3 -73.0(3) . . . . ?
C45 Nd2 C43 Nd3 -52.4(2) . . . . ?
N6 Nd3 C43 C44 -144.1(4) . . . . ?
N5 Nd3 C43 C44 -4.1(5) . . . . ?
Cl4 Nd3 C43 C44 74.0(3) . . . . ?
C47 Nd3 C43 C44 -72.8(3) . . . . ?
Cl3 Nd3 C43 C44 151.3(3) . . . . ?
C45 Nd3 C43 C44 -19.7(3) . . . . ?
C48 Nd3 C43 C44 -101.5(3) . . . . ?
C41 Nd3 C43 C44 -126.4(4) . . . . ?
C46 Nd3 C43 C44 -44.5(3) . . . . ?
C49 Nd3 C43 C44 -54.0(13) . . . . ?
C42 Nd3 C43 C44 -144.6(5) . . . . ?
N6 Nd3 C43 C42 0.5(5) . . . . ?
N5 Nd3 C43 C42 140.5(3) . . . . ?
Cl4 Nd3 C43 C42 -141.4(3) . . . . ?
C47 Nd3 C43 C42 71.8(3) . . . . ?
Cl3 Nd3 C43 C42 -64.1(3) . . . . ?
C45 Nd3 C43 C42 124.9(4) . . . . ?
C48 Nd3 C43 C42 43.1(3) . . . . ?
C41 Nd3 C43 C42 18.2(3) . . . . ?
C46 Nd3 C43 C42 100.1(3) . . . . ?
C49 Nd3 C43 C42 90.6(13) . . . . ?
C44 Nd3 C43 C42 144.6(5) . . . . ?
N6 Nd3 C43 Nd2 -71.1(4) . . . . ?
N5 Nd3 C43 Nd2 68.9(4) . . . . ?
Cl4 Nd3 C43 Nd2 146.97(19) . . . . ?
C47 Nd3 C43 Nd2 0.2(2) . . . . ?
Cl3 Nd3 C43 Nd2 -135.8(2) . . . . ?
C45 Nd3 C43 Nd2 53.3(2) . . . . ?
C48 Nd3 C43 Nd2 -28.5(2) . . . . ?
C41 Nd3 C43 Nd2 -53.5(2) . . . . ?
C46 Nd3 C43 Nd2 28.5(2) . . . . ?
C49 Nd3 C43 Nd2 19.0(13) . . . . ?
C42 Nd3 C43 Nd2 -71.6(3) . . . . ?
C44 Nd3 C43 Nd2 73.0(3) . . . . ?
C42 C43 C44 C45 -2.4(10) . . . . ?
Nd2 C43 C44 C45 -53.4(6) . . . . ?
Nd3 C43 C44 C45 49.5(6) . . . . ?
C42 C43 C44 Nd2 51.1(6) . . . . ?
Nd3 C43 C44 Nd2 102.88(13) . . . . ?
C42 C43 C44 Nd3 -51.8(6) . . . . ?
Nd2 C43 C44 Nd3 -102.88(13) . . . . ?
N4 Nd2 C44 C43 -163.2(3) . . . . ?
N3 Nd2 C44 C43 156.4(3) . . . . ?
Cl1 Nd2 C44 C43 73.2(3) . . . . ?
C42 Nd2 C44 C43 -20.1(3) . . . . ?
C23 Nd2 C44 C43 170.5(3) . . . . ?
C46 Nd2 C44 C43 -124.9(4) . . . . ?
C48 Nd2 C44 C43 -72.4(3) . . . . ?
Cl2 Nd2 C44 C43 -1.9(4) . . . . ?
C47 Nd2 C44 C43 -100.8(3) . . . . ?
C45 Nd2 C44 C43 -143.9(5) . . . . ?
N4 Nd2 C44 C45 -19.4(4) . . . . ?
N3 Nd2 C44 C45 -59.7(3) . . . . ?
Cl1 Nd2 C44 C45 -143.0(3) . . . . ?
C42 Nd2 C44 C45 123.8(4) . . . . ?
C23 Nd2 C44 C45 -45.6(3) . . . . ?
C46 Nd2 C44 C45 19.0(3) . . . . ?
C48 Nd2 C44 C45 71.5(3) . . . . ?
Cl2 Nd2 C44 C45 142.0(3) . . . . ?
C47 Nd2 C44 C45 43.1(3) . . . . ?
C43 Nd2 C44 C45 143.9(5) . . . . ?
N4 Nd2 C44 Nd3 -89.9(2) . . . . ?
N3 Nd2 C44 Nd3 -130.2(2) . . . . ?
Cl1 Nd2 C44 Nd3 146.52(18) . . . . ?
C42 Nd2 C44 Nd3 53.3(2) . . . . ?
C23 Nd2 C44 Nd3 -116.10(19) . . . . ?
C46 Nd2 C44 Nd3 -51.5(2) . . . . ?
C48 Nd2 C44 Nd3 1.0(2) . . . . ?
Cl2 Nd2 C44 Nd3 71.5(3) . . . . ?
C47 Nd2 C44 Nd3 -27.4(2) . . . . ?
C43 Nd2 C44 Nd3 73.4(3) . . . . ?
C45 Nd2 C44 Nd3 -70.5(3) . . . . ?
N6 Nd3 C44 C43 110.0(7) . . . . ?
N5 Nd3 C44 C43 177.4(3) . . . . ?
Cl4 Nd3 C44 C43 -104.4(3) . . . . ?
C47 Nd3 C44 C43 100.8(3) . . . . ?
Cl3 Nd3 C44 C43 -30.5(3) . . . . ?
C45 Nd3 C44 C43 145.6(5) . . . . ?
C48 Nd3 C44 C43 72.0(3) . . . . ?
C41 Nd3 C44 C43 43.0(3) . . . . ?
C46 Nd3 C44 C43 124.8(4) . . . . ?
C49 Nd3 C44 C43 167.0(3) . . . . ?
C42 Nd3 C44 C43 20.2(3) . . . . ?
N6 Nd3 C44 C45 -35.6(8) . . . . ?
N5 Nd3 C44 C45 31.8(3) . . . . ?
Cl4 Nd3 C44 C45 110.0(3) . . . . ?
C47 Nd3 C44 C45 -44.8(3) . . . . ?
Cl3 Nd3 C44 C45 -176.1(3) . . . . ?
C48 Nd3 C44 C45 -73.6(3) . . . . ?
C41 Nd3 C44 C45 -102.6(3) . . . . ?
C46 Nd3 C44 C45 -20.8(3) . . . . ?
C49 Nd3 C44 C45 21.4(4) . . . . ?
C42 Nd3 C44 C45 -125.4(4) . . . . ?
N6 Nd3 C44 Nd2 37.0(7) . . . . ?
N5 Nd3 C44 Nd2 104.4(2) . . . . ?
Cl4 Nd3 C44 Nd2 -177.4(2) . . . . ?
C47 Nd3 C44 Nd2 27.8(2) . . . . ?
Cl3 Nd3 C44 Nd2 -103.53(18) . . . . ?
C45 Nd3 C44 Nd2 72.6(3) . . . . ?
C48 Nd3 C44 Nd2 -1.0(2) . . . . ?
C41 Nd3 C44 Nd2 -30.0(2) . . . . ?
C46 Nd3 C44 Nd2 51.8(2) . . . . ?
C49 Nd3 C44 Nd2 94.0(3) . . . . ?
C42 Nd3 C44 Nd2 -52.8(2) . . . . ?
C43 C44 C45 C46 4.6(10) . . . . ?
Nd2 C44 C45 C46 -48.7(6) . . . . ?
Nd3 C44 C45 C46 55.0(6) . . . . ?
C43 C44 C45 Nd3 -50.3(6) . . . . ?
Nd2 C44 C45 Nd3 -103.69(13) . . . . ?
C43 C44 C45 Nd2 53.4(6) . . . . ?
Nd3 C44 C45 Nd2 103.69(13) . . . . ?
N6 Nd3 C45 C46 22.9(4) . . . . ?
N5 Nd3 C45 C46 64.2(3) . . . . ?
Cl4 Nd3 C45 C46 147.6(3) . . . . ?
C47 Nd3 C45 C46 -19.2(3) . . . . ?
Cl3 Nd3 C45 C46 -137.8(3) . . . . ?
C48 Nd3 C45 C46 -43.5(3) . . . . ?
C41 Nd3 C45 C46 -72.5(3) . . . . ?
C49 Nd3 C45 C46 50.1(3) . . . . ?
C42 Nd3 C45 C46 -99.9(3) . . . . ?
C44 Nd3 C45 C46 -143.3(5) . . . . ?
N6 Nd3 C45 C44 166.2(3) . . . . ?
N5 Nd3 C45 C44 -152.5(3) . . . . ?
Cl4 Nd3 C45 C44 -69.1(3) . . . . ?
C47 Nd3 C45 C44 124.1(4) . . . . ?
Cl3 Nd3 C45 C44 5.5(4) . . . . ?
C48 Nd3 C45 C44 99.7(3) . . . . ?
C41 Nd3 C45 C44 70.8(3) . . . . ?
C46 Nd3 C45 C44 143.3(5) . . . . ?
C49 Nd3 C45 C44 -166.6(3) . . . . ?
C42 Nd3 C45 C44 43.3(3) . . . . ?
N6 Nd3 C45 Nd2 94.1(2) . . . . ?
N5 Nd3 C45 Nd2 135.4(2) . . . . ?
Cl4 Nd3 C45 Nd2 -141.20(19) . . . . ?
C47 Nd3 C45 Nd2 52.0(2) . . . . ?
Cl3 Nd3 C45 Nd2 -66.6(3) . . . . ?
C48 Nd3 C45 Nd2 27.6(2) . . . . ?
C41 Nd3 C45 Nd2 -1.3(2) . . . . ?
C46 Nd3 C45 Nd2 71.2(3) . . . . ?
C49 Nd3 C45 Nd2 121.24(18) . . . . ?
C42 Nd3 C45 Nd2 -28.8(2) . . . . ?
C44 Nd3 C45 Nd2 -72.1(3) . . . . ?
N4 Nd2 C45 C46 -47.5(3) . . . . ?
N3 Nd2 C45 C46 -95.3(3) . . . . ?
Cl1 Nd2 C45 C46 -170.8(3) . . . . ?
C42 Nd2 C45 C46 101.5(3) . . . . ?
C23 Nd2 C45 C46 -73.2(3) . . . . ?
C48 Nd2 C45 C46 44.6(3) . . . . ?
Cl2 Nd2 C45 C46 72.7(5) . . . . ?
C47 Nd2 C45 C46 20.5(3) . . . . ?
C43 Nd2 C45 C46 126.3(4) . . . . ?
C44 Nd2 C45 C46 146.5(5) . . . . ?
N4 Nd2 C45 C44 166.1(3) . . . . ?
N3 Nd2 C45 C44 118.2(3) . . . . ?
Cl1 Nd2 C45 C44 42.7(3) . . . . ?
C42 Nd2 C45 C44 -45.0(3) . . . . ?
C23 Nd2 C45 C44 140.3(3) . . . . ?
C46 Nd2 C45 C44 -146.5(5) . . . . ?
C48 Nd2 C45 C44 -101.9(3) . . . . ?
Cl2 Nd2 C45 C44 -73.8(5) . . . . ?
C47 Nd2 C45 C44 -126.0(4) . . . . ?
C43 Nd2 C45 C44 -20.1(3) . . . . ?
N4 Nd2 C45 Nd3 -119.7(2) . . . . ?
N3 Nd2 C45 Nd3 -167.5(2) . . . . ?
Cl1 Nd2 C45 Nd3 116.97(17) . . . . ?
C42 Nd2 C45 Nd3 29.3(2) . . . . ?
C23 Nd2 C45 Nd3 -145.5(2) . . . . ?
C46 Nd2 C45 Nd3 -72.2(3) . . . . ?
C48 Nd2 C45 Nd3 -27.6(2) . . . . ?
Cl2 Nd2 C45 Nd3 0.5(5) . . . . ?
C47 Nd2 C45 Nd3 -51.7(2) . . . . ?
C43 Nd2 C45 Nd3 54.1(2) . . . . ?
C44 Nd2 C45 Nd3 74.2(3) . . . . ?
C44 C45 C46 C47 -5.8(10) . . . . ?
Nd3 C45 C46 C47 49.8(6) . . . . ?
Nd2 C45 C46 C47 -54.7(6) . . . . ?
C44 C45 C46 Nd2 48.9(6) . . . . ?
Nd3 C45 C46 Nd2 104.44(14) . . . . ?
C44 C45 C46 Nd3 -55.6(6) . . . . ?
Nd2 C45 C46 Nd3 -104.44(14) . . . . ?
N4 Nd2 C46 C47 -80.9(3) . . . . ?
N3 Nd2 C46 C47 -137.0(3) . . . . ?
Cl1 Nd2 C46 C47 158.1(3) . . . . ?
C42 Nd2 C46 C47 71.4(3) . . . . ?
C23 Nd2 C46 C47 -109.3(3) . . . . ?
C48 Nd2 C46 C47 19.2(3) . . . . ?
Cl2 Nd2 C46 C47 0.9(4) . . . . ?
C43 Nd2 C46 C47 100.5(3) . . . . ?
C44 Nd2 C46 C47 124.3(4) . . . . ?
C45 Nd2 C46 C47 143.3(5) . . . . ?
N4 Nd2 C46 C45 135.7(3) . . . . ?
N3 Nd2 C46 C45 79.6(3) . . . . ?
Cl1 Nd2 C46 C45 14.7(4) . . . . ?
C42 Nd2 C46 C45 -71.9(3) . . . . ?
C23 Nd2 C46 C45 107.4(3) . . . . ?
C48 Nd2 C46 C45 -124.2(4) . . . . ?
Cl2 Nd2 C46 C45 -142.5(3) . . . . ?
C47 Nd2 C46 C45 -143.3(5) . . . . ?
C43 Nd2 C46 C45 -42.9(3) . . . . ?
C44 Nd2 C46 C45 -19.0(3) . . . . ?
N4 Nd2 C46 Nd3 -152.3(2) . . . . ?
N3 Nd2 C46 Nd3 151.6(2) . . . . ?
Cl1 Nd2 C46 Nd3 86.7(3) . . . . ?
C42 Nd2 C46 Nd3 0.1(2) . . . . ?
C23 Nd2 C46 Nd3 179.4(2) . . . . ?
C48 Nd2 C46 Nd3 -52.2(2) . . . . ?
Cl2 Nd2 C46 Nd3 -70.5(3) . . . . ?
C47 Nd2 C46 Nd3 -71.4(3) . . . . ?
C43 Nd2 C46 Nd3 29.1(2) . . . . ?
C44 Nd2 C46 Nd3 53.0(2) . . . . ?
C45 Nd2 C46 Nd3 72.0(3) . . . . ?
N6 Nd3 C46 C47 50.6(3) . . . . ?
N5 Nd3 C46 C47 99.7(3) . . . . ?
Cl4 Nd3 C46 C47 177.3(3) . . . . ?
Cl3 Nd3 C46 C47 -64.8(5) . . . . ?
C45 Nd3 C46 C47 -145.7(5) . . . . ?
C48 Nd3 C46 C47 -20.2(3) . . . . ?
C41 Nd3 C46 C47 -44.7(3) . . . . ?
C49 Nd3 C46 C47 77.2(3) . . . . ?
C42 Nd3 C46 C47 -72.7(3) . . . . ?
C44 Nd3 C46 C47 -125.0(4) . . . . ?
N6 Nd3 C46 C45 -163.6(3) . . . . ?
N5 Nd3 C46 C45 -114.6(3) . . . . ?
Cl4 Nd3 C46 C45 -37.0(3) . . . . ?
C47 Nd3 C46 C45 145.7(5) . . . . ?
Cl3 Nd3 C46 C45 81.0(5) . . . . ?
C48 Nd3 C46 C45 125.5(4) . . . . ?
C41 Nd3 C46 C45 101.1(3) . . . . ?
C49 Nd3 C46 C45 -137.1(3) . . . . ?
C42 Nd3 C46 C45 73.1(3) . . . . ?
C44 Nd3 C46 C45 20.7(3) . . . . ?
N6 Nd3 C46 Nd2 123.25(19) . . . . ?
N5 Nd3 C46 Nd2 172.3(2) . . . . ?
Cl4 Nd3 C46 Nd2 -110.09(17) . . . . ?
C47 Nd3 C46 Nd2 72.6(3) . . . . ?
Cl3 Nd3 C46 Nd2 7.9(5) . . . . ?
C45 Nd3 C46 Nd2 -73.1(3) . . . . ?
C48 Nd3 C46 Nd2 52.4(2) . . . . ?
C41 Nd3 C46 Nd2 28.0(2) . . . . ?
C49 Nd3 C46 Nd2 149.8(2) . . . . ?
C42 Nd3 C46 Nd2 -0.1(2) . . . . ?
C44 Nd3 C46 Nd2 -52.4(2) . . . . ?
C45 C46 C47 C48 4.3(11) . . . . ?
Nd2 C46 C47 C48 -50.5(6) . . . . ?
Nd3 C46 C47 C48 54.2(6) . . . . ?
C45 C46 C47 Nd3 -49.9(6) . . . . ?
Nd2 C46 C47 Nd3 -104.71(14) . . . . ?
C45 C46 C47 Nd2 54.8(6) . . . . ?
Nd3 C46 C47 Nd2 104.71(14) . . . . ?
N6 Nd3 C47 C46 -133.2(3) . . . . ?
N5 Nd3 C47 C46 -77.3(3) . . . . ?
Cl4 Nd3 C47 C46 -4.3(4) . . . . ?
Cl3 Nd3 C47 C46 145.4(3) . . . . ?
C45 Nd3 C47 C46 19.5(3) . . . . ?
C48 Nd3 C47 C46 144.3(5) . . . . ?
C41 Nd3 C47 C46 124.7(4) . . . . ?
C49 Nd3 C47 C46 -105.2(3) . . . . ?
C42 Nd3 C47 C46 100.5(4) . . . . ?
C44 Nd3 C47 C46 44.2(3) . . . . ?
N6 Nd3 C47 C48 82.5(3) . . . . ?
N5 Nd3 C47 C48 138.3(3) . . . . ?
Cl4 Nd3 C47 C48 -148.6(3) . . . . ?
Cl3 Nd3 C47 C48 1.0(4) . . . . ?
C45 Nd3 C47 C48 -124.8(4) . . . . ?
C41 Nd3 C47 C48 -19.7(3) . . . . ?
C46 Nd3 C47 C48 -144.3(5) . . . . ?
C49 Nd3 C47 C48 110.5(3) . . . . ?
C42 Nd3 C47 C48 -43.9(3) . . . . ?
C44 Nd3 C47 C48 -100.1(3) . . . . ?
N6 Nd3 C47 Nd2 154.6(2) . . . . ?
N5 Nd3 C47 Nd2 -149.5(2) . . . . ?
Cl4 Nd3 C47 Nd2 -76.4(3) . . . . ?
Cl3 Nd3 C47 Nd2 73.2(3) . . . . ?
C45 Nd3 C47 Nd2 -52.6(2) . . . . ?
C48 Nd3 C47 Nd2 72.2(3) . . . . ?
C41 Nd3 C47 Nd2 52.51(19) . . . . ?
C46 Nd3 C47 Nd2 -72.2(3) . . . . ?
C49 Nd3 C47 Nd2 -177.3(2) . . . . ?
C42 Nd3 C47 Nd2 28.3(2) . . . . ?
C44 Nd3 C47 Nd2 -27.9(2) . . . . ?
N4 Nd2 C47 C46 97.2(3) . . . . ?
N3 Nd2 C47 C46 43.9(3) . . . . ?
Cl1 Nd2 C47 C46 -74.3(8) . . . . ?
C42 Nd2 C47 C46 -102.1(3) . . . . ?
C23 Nd2 C47 C46 71.5(3) . . . . ?
C48 Nd2 C47 C46 -146.2(5) . . . . ?
Cl2 Nd2 C47 C46 -179.4(3) . . . . ?
C43 Nd2 C47 C46 -73.1(3) . . . . ?
C44 Nd2 C47 C46 -45.0(3) . . . . ?
C45 Nd2 C47 C46 -20.9(3) . . . . ?
N4 Nd2 C47 C48 -116.6(3) . . . . ?
N3 Nd2 C47 C48 -169.9(3) . . . . ?
Cl1 Nd2 C47 C48 71.9(8) . . . . ?
C42 Nd2 C47 C48 44.1(3) . . . . ?
C23 Nd2 C47 C48 -142.3(3) . . . . ?
C46 Nd2 C47 C48 146.2(5) . . . . ?
Cl2 Nd2 C47 C48 -33.2(3) . . . . ?
C43 Nd2 C47 C48 73.1(3) . . . . ?
C44 Nd2 C47 C48 101.2(3) . . . . ?
C45 Nd2 C47 C48 125.3(4) . . . . ?
N4 Nd2 C47 Nd3 170.6(2) . . . . ?
N3 Nd2 C47 Nd3 117.22(19) . . . . ?
Cl1 Nd2 C47 Nd3 -0.9(9) . . . . ?
C42 Nd2 C47 Nd3 -28.8(2) . . . . ?
C23 Nd2 C47 Nd3 144.84(19) . . . . ?
C46 Nd2 C47 Nd3 73.3(3) . . . . ?
C48 Nd2 C47 Nd3 -72.9(3) . . . . ?
Cl2 Nd2 C47 Nd3 -106.05(18) . . . . ?
C43 Nd2 C47 Nd3 0.2(2) . . . . ?
C44 Nd2 C47 Nd3 28.3(2) . . . . ?
C45 Nd2 C47 Nd3 52.4(2) . . . . ?
C46 C47 C48 C41 -3.7(11) . . . . ?
Nd3 C47 C48 C41 50.7(6) . . . . ?
Nd2 C47 C48 C41 -54.1(6) . . . . ?
C46 C47 C48 Nd3 -54.4(6) . . . . ?
Nd2 C47 C48 Nd3 -104.82(14) . . . . ?
C46 C47 C48 Nd2 50.4(6) . . . . ?
Nd3 C47 C48 Nd2 104.82(14) . . . . ?
C42 C41 C48 C47 5.2(10) . . . . ?
Nd3 C41 C48 C47 -50.4(6) . . . . ?
Nd2 C41 C48 C47 53.8(6) . . . . ?
C42 C41 C48 Nd3 55.6(6) . . . . ?
Nd2 C41 C48 Nd3 104.28(13) . . . . ?
C42 C41 C48 Nd2 -48.7(6) . . . . ?
Nd3 C41 C48 Nd2 -104.28(13) . . . . ?
N6 Nd3 C48 C47 -96.8(3) . . . . ?
N5 Nd3 C48 C47 -44.3(3) . . . . ?
Cl4 Nd3 C48 C47 85.3(6) . . . . ?
Cl3 Nd3 C48 C47 -179.2(3) . . . . ?
C45 Nd3 C48 C47 44.3(3) . . . . ?
C41 Nd3 C48 C47 145.5(5) . . . . ?
C46 Nd3 C48 C47 20.0(3) . . . . ?
C49 Nd3 C48 C47 -72.5(3) . . . . ?
C42 Nd3 C48 C47 124.9(4) . . . . ?
C44 Nd3 C48 C47 73.2(4) . . . . ?
N6 Nd3 C48 C41 117.7(3) . . . . ?
N5 Nd3 C48 C41 170.2(3) . . . . ?
Cl4 Nd3 C48 C41 -60.2(7) . . . . ?
C47 Nd3 C48 C41 -145.5(5) . . . . ?
Cl3 Nd3 C48 C41 35.3(3) . . . . ?
C45 Nd3 C48 C41 -101.2(3) . . . . ?
C46 Nd3 C48 C41 -125.5(4) . . . . ?
C49 Nd3 C48 C41 142.1(3) . . . . ?
C42 Nd3 C48 C41 -20.6(3) . . . . ?
C44 Nd3 C48 C41 -72.3(3) . . . . ?
N6 Nd3 C48 Nd2 -169.1(2) . . . . ?
N5 Nd3 C48 Nd2 -116.52(19) . . . . ?
Cl4 Nd3 C48 Nd2 13.1(7) . . . . ?
C47 Nd3 C48 Nd2 -72.2(3) . . . . ?
Cl3 Nd3 C48 Nd2 108.57(17) . . . . ?
C45 Nd3 C48 Nd2 -27.9(2) . . . . ?
C41 Nd3 C48 Nd2 73.3(3) . . . . ?
C46 Nd3 C48 Nd2 -52.2(2) . . . . ?
C49 Nd3 C48 Nd2 -144.67(18) . . . . ?
C42 Nd3 C48 Nd2 52.7(2) . . . . ?
C44 Nd3 C48 Nd2 1.0(2) . . . . ?
N4 Nd2 C48 C47 63.8(3) . . . . ?
N3 Nd2 C48 C47 13.1(4) . . . . ?
Cl1 Nd2 C48 C47 -158.7(3) . . . . ?
C42 Nd2 C48 C47 -124.9(4) . . . . ?
C23 Nd2 C48 C47 43.6(3) . . . . ?
C46 Nd2 C48 C47 -19.0(3) . . . . ?
Cl2 Nd2 C48 C47 148.4(3) . . . . ?
C43 Nd2 C48 C47 -100.4(3) . . . . ?
C44 Nd2 C48 C47 -72.4(3) . . . . ?
C45 Nd2 C48 C47 -43.7(3) . . . . ?
N4 Nd2 C48 C41 -152.4(3) . . . . ?
N3 Nd2 C48 C41 156.9(3) . . . . ?
Cl1 Nd2 C48 C41 -14.9(4) . . . . ?
C42 Nd2 C48 C41 18.9(3) . . . . ?
C23 Nd2 C48 C41 -172.6(3) . . . . ?
C46 Nd2 C48 C41 124.8(3) . . . . ?
Cl2 Nd2 C48 C41 -67.8(3) . . . . ?
C47 Nd2 C48 C41 143.8(5) . . . . ?
C43 Nd2 C48 C41 43.4(3) . . . . ?
C44 Nd2 C48 C41 71.4(3) . . . . ?
C45 Nd2 C48 C41 100.1(3) . . . . ?
N4 Nd2 C48 Nd3 135.13(19) . . . . ?
N3 Nd2 C48 Nd3 84.4(2) . . . . ?
Cl1 Nd2 C48 Nd3 -87.4(2) . . . . ?
C42 Nd2 C48 Nd3 -53.5(2) . . . . ?
C23 Nd2 C48 Nd3 114.98(18) . . . . ?
C46 Nd2 C48 Nd3 52.4(2) . . . . ?
Cl2 Nd2 C48 Nd3 -140.2(2) . . . . ?
C47 Nd2 C48 Nd3 71.4(3) . . . . ?
C43 Nd2 C48 Nd3 -29.1(2) . . . . ?
C44 Nd2 C48 Nd3 -1.0(2) . . . . ?
C45 Nd2 C48 Nd3 27.7(2) . . . . ?
C61 N6 C49 N5 -178.7(4) . . . . ?
Nd3 N6 C49 N5 -10.0(4) . . . . ?
C61 N6 C49 C50 -1.2(6) . . . . ?
Nd3 N6 C49 C50 167.5(4) . . . . ?
C61 N6 C49 Nd3 -168.7(4) . . . . ?
C55 N5 C49 N6 -175.4(4) . . . . ?
Nd3 N5 C49 N6 9.9(4) . . . . ?
C55 N5 C49 C50 7.1(6) . . . . ?
Nd3 N5 C49 C50 -167.6(4) . . . . ?
C55 N5 C49 Nd3 174.8(4) . . . . ?
N5 Nd3 C49 N6 -169.6(4) . . . . ?
Cl4 Nd3 C49 N6 125.2(2) . . . . ?
C47 Nd3 C49 N6 -88.6(3) . . . . ?
Cl3 Nd3 C49 N6 47.0(3) . . . . ?
C45 Nd3 C49 N6 -138.4(3) . . . . ?
C48 Nd3 C49 N6 -61.3(3) . . . . ?
C41 Nd3 C49 N6 -40.4(3) . . . . ?
C46 Nd3 C49 N6 -116.3(3) . . . . ?
C42 Nd3 C49 N6 -32.4(4) . . . . ?
C44 Nd3 C49 N6 -150.0(3) . . . . ?
N6 Nd3 C49 N5 169.6(4) . . . . ?
Cl4 Nd3 C49 N5 -65.3(2) . . . . ?
C47 Nd3 C49 N5 80.9(3) . . . . ?
Cl3 Nd3 C49 N5 -143.5(2) . . . . ?
C45 Nd3 C49 N5 31.2(3) . . . . ?
C48 Nd3 C49 N5 108.3(3) . . . . ?
C41 Nd3 C49 N5 129.1(3) . . . . ?
C46 Nd3 C49 N5 53.2(3) . . . . ?
C42 Nd3 C49 N5 137.2(3) . . . . ?
C44 Nd3 C49 N5 19.6(4) . . . . ?
N6 Nd3 C49 C50 -89.1(18) . . . . ?
N5 Nd3 C49 C50 101.3(18) . . . . ?
Cl4 Nd3 C49 C50 36.0(18) . . . . ?
C47 Nd3 C49 C50 -178(100) . . . . ?
Cl3 Nd3 C49 C50 -42.1(18) . . . . ?
C45 Nd3 C49 C50 132.5(18) . . . . ?
C48 Nd3 C49 C50 -150.4(18) . . . . ?
C41 Nd3 C49 C50 -129.5(18) . . . . ?
C46 Nd3 C49 C50 154.6(18) . . . . ?
C42 Nd3 C49 C50 -121.5(18) . . . . ?
C44 Nd3 C49 C50 120.9(18) . . . . ?
N6 C49 C50 C51 -77(4) . . . . ?
N5 C49 C50 C51 100(4) . . . . ?
Nd3 C49 C50 C51 5(6) . . . . ?
C49 C50 C51 C52 57(10) . . . . ?
C50 C51 C52 C53 -33(8) . . . . ?
C50 C51 C52 C54 35(8) . . . . ?
C51 C52 C53 C54 107.0(7) . . . . ?
C51 C52 C54 C53 -108.3(7) . . . . ?
C49 N5 C55 C56 -149.1(4) . . . . ?
Nd3 N5 C55 C56 21.2(7) . . . . ?
C49 N5 C55 C60 89.0(5) . . . . ?
Nd3 N5 C55 C60 -100.8(6) . . . . ?
N5 C55 C56 C57 -179.0(4) . . . . ?
C60 C55 C56 C57 -56.9(5) . . . . ?
C55 C56 C57 C58 56.4(6) . . . . ?
C56 C57 C58 C59 -54.9(6) . . . . ?
C57 C58 C59 C60 54.0(6) . . . . ?
C58 C59 C60 C55 -56.3(6) . . . . ?
N5 C55 C60 C59 -179.6(4) . . . . ?
C56 C55 C60 C59 58.0(5) . . . . ?
C49 N6 C61 C62 -156.6(4) . . . . ?
Nd3 N6 C61 C62 42.9(6) . . . . ?
C49 N6 C61 C66 81.0(5) . . . . ?
Nd3 N6 C61 C66 -79.5(6) . . . . ?
N6 C61 C62 C63 179.1(4) . . . . ?
C66 C61 C62 C63 -57.4(5) . . . . ?
C61 C62 C63 C64 56.9(6) . . . . ?
C62 C63 C64 C65 -56.0(6) . . . . ?
C63 C64 C65 C66 56.3(6) . . . . ?
C64 C65 C66 C61 -56.5(6) . . . . ?
N6 C61 C66 C65 178.1(4) . . . . ?
C62 C61 C66 C65 57.1(5) . . . . ?
C73 N7 C67 N8 -176.4(4) . . . . ?
Nd4 N7 C67 N8 -7.5(4) . . . . ?
C73 N7 C67 C68 4.7(7) . . . . ?
Nd4 N7 C67 C68 173.6(4) . . . . ?
C73 N7 C67 Nd4 -168.9(4) . . . . ?
C79 N8 C67 N7 -176.1(4) . . . . ?
Nd4 N8 C67 N7 7.4(4) . . . . ?
C79 N8 C67 C68 2.8(7) . . . . ?
Nd4 N8 C67 C68 -173.7(4) . . . . ?
C79 N8 C67 Nd4 176.5(5) . . . . ?
N8 Nd4 C67 N7 -172.0(4) . . . . ?
Cl3 Nd4 C67 N7 120.7(3) . . . . ?
C86 Nd4 C67 N7 -154.8(3) . . . . ?
C85 Nd4 C67 N7 -134.7(3) . . . . ?
C88 Nd4 C67 N7 -56.0(3) . . . . ?
Cl4 Nd4 C67 N7 42.6(3) . . . . ?
C87 Nd4 C67 N7 -163.6(3) . . . . ?
C88 Nd4 C67 N7 -107.7(3) 2 . . . ?
C85 Nd4 C67 N7 -41.4(4) 2 . . . ?
C89 Nd4 C67 N7 -79.2(3) . . . . ?
N7 Nd4 C67 N8 172.0(4) . . . . ?
Cl3 Nd4 C67 N8 -67.3(3) . . . . ?
C86 Nd4 C67 N8 17.2(3) . . . . ?
C85 Nd4 C67 N8 37.3(3) . . . . ?
C88 Nd4 C67 N8 116.0(3) . . . . ?
Cl4 Nd4 C67 N8 -145.4(3) . . . . ?
C87 Nd4 C67 N8 8.4(5) . . . . ?
C88 Nd4 C67 N8 64.3(3) 2 . . . ?
C85 Nd4 C67 N8 130.7(3) 2 . . . ?
C89 Nd4 C67 N8 92.9(3) . . . . ?
N7 Nd4 C67 C68 -90(3) . . . . ?
N8 Nd4 C67 C68 98(4) . . . . ?
Cl3 Nd4 C67 C68 31(3) . . . . ?
C86 Nd4 C67 C68 116(3) . . . . ?
C85 Nd4 C67 C68 136(3) . . . . ?
C88 Nd4 C67 C68 -146(3) . . . . ?
Cl4 Nd4 C67 C68 -47(4) . . . . ?
C87 Nd4 C67 C68 107(3) . . . . ?
C88 Nd4 C67 C68 163(3) 2 . . . ?
C85 Nd4 C67 C68 -131(3) 2 . . . ?
C89 Nd4 C67 C68 -169(3) . . . . ?
N7 C67 C68 C69 115(11) . . . . ?
N8 C67 C68 C69 -64(11) . . . . ?
Nd4 C67 C68 C69 -159(9) . . . . ?
C67 C68 C69 C70 41(23) . . . . ?
C68 C69 C70 C72 45(15) . . . . ?
C68 C69 C70 C71 -22(15) . . . . ?
C69 C70 C71 C72 109.3(7) . . . . ?
C69 C70 C72 C71 -106.0(7) . . . . ?
C67 N7 C73 C74 -150.1(4) . . . . ?
Nd4 N7 C73 C74 48.4(6) . . . . ?
C67 N7 C73 C78 87.5(5) . . . . ?
Nd4 N7 C73 C78 -74.0(6) . . . . ?
N7 C73 C74 C75 -178.1(4) . . . . ?
C78 C73 C74 C75 -55.0(5) . . . . ?
C73 C74 C75 C76 54.5(6) . . . . ?
C74 C75 C76 C77 -54.6(5) . . . . ?
C75 C76 C77 C78 56.8(5) . . . . ?
C76 C77 C78 C73 -57.1(5) . . . . ?
N7 C73 C78 C77 177.3(4) . . . . ?
C74 C73 C78 C77 55.9(5) . . . . ?
C67 N8 C79 C84 86.2(5) . . . . ?
Nd4 N8 C79 C84 -100.0(6) . . . . ?
C67 N8 C79 C80 -153.0(4) . . . . ?
Nd4 N8 C79 C80 20.8(8) . . . . ?
N8 C79 C80 C81 -175.9(5) . . . . ?
C84 C79 C80 C81 -54.6(6) . . . . ?
C79 C80 C81 C82 55.3(7) . . . . ?
C80 C81 C82 C83 -55.1(7) . . . . ?
C81 C82 C83 C84 55.5(7) . . . . ?
N8 C79 C84 C83 176.0(5) . . . . ?
C80 C79 C84 C83 55.7(6) . . . . ?
C82 C83 C84 C79 -56.8(7) . . . . ?
N7 Nd4 C85 C86 -168.9(2) . . . . ?
N8 Nd4 C85 C86 -129.1(3) . . . . ?
Cl3 Nd4 C85 C86 -46.6(3) . . . . ?
C88 Nd4 C85 C86 101.7(3) . . . . ?
C67 Nd4 C85 C86 -145.7(3) . . . . ?
Cl4 Nd4 C85 C86 39.1(4) . . . . ?
C87 Nd4 C85 C86 20.2(2) . . . . ?
C88 Nd4 C85 C86 145.0(4) 2 . . . ?
C85 Nd4 C85 C86 72.9(3) 2 . . . ?
C89 Nd4 C85 C86 126.0(3) . . . . ?
N7 Nd4 C85 C88 46.1(3) . . . 2 ?
N8 Nd4 C85 C88 85.9(3) . . . 2 ?
Cl3 Nd4 C85 C88 168.4(2) . . . 2 ?
C86 Nd4 C85 C88 -145.0(4) . . . 2 ?
C88 Nd4 C85 C88 -43.3(3) . . . 2 ?
C67 Nd4 C85 C88 69.2(3) . . . 2 ?
Cl4 Nd4 C85 C88 -105.9(3) . . . 2 ?
C87 Nd4 C85 C88 -124.8(3) . . . 2 ?
C85 Nd4 C85 C88 -72.1(3) 2 . . 2 ?
C89 Nd4 C85 C88 -19.0(2) . . . 2 ?
N7 Nd4 C85 Nd4 118.12(15) . . . 2 ?
N8 Nd4 C85 Nd4 157.98(17) . . . 2 ?
Cl3 Nd4 C85 Nd4 -119.56(12) . . . 2 ?
C86 Nd4 C85 Nd4 -72.9(3) . . . 2 ?
C88 Nd4 C85 Nd4 28.73(14) . . . 2 ?
C67 Nd4 C85 Nd4 141.32(14) . . . 2 ?
Cl4 Nd4 C85 Nd4 -33.8(3) . . . 2 ?
C87 Nd4 C85 Nd4 -52.78(13) . . . 2 ?
C88 Nd4 C85 Nd4 72.1(3) 2 . . 2 ?
C85 Nd4 C85 Nd4 -0.1(2) 2 . . 2 ?
C89 Nd4 C85 Nd4 53.06(13) . . . 2 ?
C88 C85 C86 C87 -1.3(10) 2 . . . ?
Nd4 C85 C86 C87 -53.9(5) . . . . ?
Nd4 C85 C86 C87 49.9(5) 2 . . . ?
C88 C85 C86 Nd4 52.7(6) 2 . . . ?
Nd4 C85 C86 Nd4 103.79(11) 2 . . . ?
C88 C85 C86 Nd4 -51.1(6) 2 . . 2 ?
Nd4 C85 C86 Nd4 -103.79(11) . . . 2 ?
N7 Nd4 C86 C87 163.5(3) . . . . ?
N8 Nd4 C86 C87 -164.4(3) . . . . ?
Cl3 Nd4 C86 C87 -81.5(2) . . . . ?
C85 Nd4 C86 C87 144.2(4) . . . . ?
C88 Nd4 C86 C87 72.1(3) . . . . ?
C67 Nd4 C86 C87 -172.5(2) . . . . ?
Cl4 Nd4 C86 C87 -12.3(3) . . . . ?
C88 Nd4 C86 C87 124.4(3) 2 . . . ?
C85 Nd4 C86 C87 43.7(3) 2 . . . ?
C89 Nd4 C86 C87 100.7(3) . . . . ?
N7 Nd4 C86 C85 19.4(4) . . . . ?
N8 Nd4 C86 C85 51.4(3) . . . . ?
Cl3 Nd4 C86 C85 134.3(3) . . . . ?
C88 Nd4 C86 C85 -72.0(3) . . . . ?
C67 Nd4 C86 C85 43.4(3) . . . . ?
Cl4 Nd4 C86 C85 -156.5(2) . . . . ?
C87 Nd4 C86 C85 -144.2(4) . . . . ?
C88 Nd4 C86 C85 -19.8(3) 2 . . . ?
C85 Nd4 C86 C85 -100.5(3) 2 . . . ?
C89 Nd4 C86 C85 -43.4(3) . . . . ?
N7 Nd4 C86 Nd4 91.4(3) . . . 2 ?
N8 Nd4 C86 Nd4 123.46(15) . . . 2 ?
Cl3 Nd4 C86 Nd4 -153.67(14) . . . 2 ?
C85 Nd4 C86 Nd4 72.0(3) . . . 2 ?
C88 Nd4 C86 Nd4 0.00(15) . . . 2 ?
C67 Nd4 C86 Nd4 115.37(16) . . . 2 ?
Cl4 Nd4 C86 Nd4 -84.47(15) . . . 2 ?
C87 Nd4 C86 Nd4 -72.1(3) . . . 2 ?
C88 Nd4 C86 Nd4 52.22(15) 2 . . 2 ?
C85 Nd4 C86 Nd4 -28.49(15) 2 . . 2 ?
C89 Nd4 C86 Nd4 28.57(11) . . . 2 ?
C85 C86 C87 C86 1.5(5) . . . 2 ?
Nd4 C86 C87 C86 -52.06(8) . . . 2 ?
Nd4 C86 C87 C86 51.39(8) 2 . . 2 ?
C85 C86 C87 Nd4 53.5(5) . . . . ?
Nd4 C86 C87 Nd4 103.45(12) 2 . . . ?
C85 C86 C87 Nd4 -49.9(5) . . . 2 ?
Nd4 C86 C87 Nd4 -103.45(12) . . . 2 ?
N7 Nd4 C87 C86 -93.9(7) . . . . ?
N8 Nd4 C87 C86 19.6(3) . . . . ?
Cl3 Nd4 C87 C86 93.7(2) . . . . ?
C85 Nd4 C87 C86 -20.4(3) . . . . ?
C88 Nd4 C87 C86 -101.7(3) . . . . ?
C67 Nd4 C87 C86 14.6(5) . . . . ?
Cl4 Nd4 C87 C86 169.6(2) . . . . ?
C88 Nd4 C87 C86 -44.8(3) 2 . . . ?
C85 Nd4 C87 C86 -125.5(3) 2 . . . ?
C89 Nd4 C87 C86 -73.2(2) . . . . ?
N7 Nd4 C87 C86 50.8(8) . . . 2 ?
N8 Nd4 C87 C86 164.3(2) . . . 2 ?
Cl3 Nd4 C87 C86 -121.6(3) . . . 2 ?
C86 Nd4 C87 C86 144.7(4) . . . 2 ?
C85 Nd4 C87 C86 124.3(3) . . . 2 ?
C88 Nd4 C87 C86 43.0(3) . . . 2 ?
C67 Nd4 C87 C86 159.3(3) . . . 2 ?
Cl4 Nd4 C87 C86 -45.7(3) . . . 2 ?
C88 Nd4 C87 C86 99.9(3) 2 . . 2 ?
C85 Nd4 C87 C86 19.2(3) 2 . . 2 ?
C89 Nd4 C87 C86 71.5(3) . . . 2 ?
N7 Nd4 C87 Nd4 -20.7(7) . . . 2 ?
N8 Nd4 C87 Nd4 92.79(14) . . . 2 ?
Cl3 Nd4 C87 Nd4 166.91(2) . . . 2 ?
C86 Nd4 C87 Nd4 73.2(2) . . . 2 ?
C85 Nd4 C87 Nd4 52.82(13) . . . 2 ?
C88 Nd4 C87 Nd4 -28.46(10) . . . 2 ?
C67 Nd4 C87 Nd4 87.8(3) . . . 2 ?
Cl4 Nd4 C87 Nd4 -117.19(3) . . . 2 ?
C88 Nd4 C87 Nd4 28.36(10) 2 . . 2 ?
C85 Nd4 C87 Nd4 -52.30(14) 2 . . 2 ?
C89 Nd4 C87 Nd4 0.0 . . . 2 ?
N7 Nd4 C88 C89 -77.3(3) . . . . ?
N8 Nd4 C88 C89 -23.7(3) . . . . ?
Cl3 Nd4 C88 C89 132.1(2) . . . . ?
C86 Nd4 C88 C89 73.2(3) . . . . ?
C85 Nd4 C88 C89 44.5(3) . . . . ?
C67 Nd4 C88 C89 -54.3(3) . . . . ?
Cl4 Nd4 C88 C89 -163.7(3) . . . . ?
C87 Nd4 C88 C89 101.7(3) . . . . ?
C88 Nd4 C88 C89 20.4(3) 2 . . . ?
C85 Nd4 C88 C89 144.5(4) 2 . . . ?
N7 Nd4 C88 C85 138.2(3) . . . 2 ?
N8 Nd4 C88 C85 -168.2(3) . . . 2 ?
Cl3 Nd4 C88 C85 -12.4(4) . . . 2 ?
C86 Nd4 C88 C85 -71.3(3) . . . 2 ?
C85 Nd4 C88 C85 -100.0(3) . . . 2 ?
C67 Nd4 C88 C85 161.2(3) . . . 2 ?
Cl4 Nd4 C88 C85 51.7(3) . . . 2 ?
C87 Nd4 C88 C85 -42.9(3) . . . 2 ?
C88 Nd4 C88 C85 -124.2(3) 2 . . 2 ?
C89 Nd4 C88 C85 -144.5(4) . . . 2 ?
N7 Nd4 C88 Nd4 -150.49(14) . . . 2 ?
N8 Nd4 C88 Nd4 -96.90(17) . . . 2 ?
Cl3 Nd4 C88 Nd4 58.9(2) . . . 2 ?
C86 Nd4 C88 Nd4 0.00(15) . . . 2 ?
C85 Nd4 C88 Nd4 -28.72(14) . . . 2 ?
C67 Nd4 C88 Nd4 -127.50(14) . . . 2 ?
Cl4 Nd4 C88 Nd4 123.07(12) . . . 2 ?
C87 Nd4 C88 Nd4 28.43(10) . . . 2 ?
C88 Nd4 C88 Nd4 -52.85(17) 2 . . 2 ?
C85 Nd4 C88 Nd4 71.3(3) 2 . . 2 ?
C89 Nd4 C88 Nd4 -73.2(3) . . . 2 ?
C85 C88 C89 C88 1.8(5) 2 . . 2 ?
Nd4 C88 C89 C88 -51.60(8) . . . 2 ?
Nd4 C88 C89 C88 51.44(8) 2 . . 2 ?
C85 C88 C89 Nd4 53.3(5) 2 . . . ?
Nd4 C88 C89 Nd4 103.04(12) 2 . . . ?
C85 C88 C89 Nd4 -49.7(5) 2 . . 2 ?
Nd4 C88 C89 Nd4 -103.04(12) . . . 2 ?
N7 Nd4 C89 C88 -111.1(3) . . . 2 ?
N8 Nd4 C89 C88 -55.7(3) . . . 2 ?
Cl3 Nd4 C89 C88 37.6(3) . . . 2 ?
C86 Nd4 C89 C88 43.2(3) . . . 2 ?
C85 Nd4 C89 C88 19.2(2) . . . 2 ?
C88 Nd4 C89 C88 143.9(4) . . . 2 ?
C67 Nd4 C89 C88 -83.8(3) . . . 2 ?
Cl4 Nd4 C89 C88 162.3(2) . . . 2 ?
C87 Nd4 C89 C88 71.8(2) . . . 2 ?
C85 Nd4 C89 C88 123.8(3) 2 . . 2 ?
N7 Nd4 C89 C88 105.0(3) . . . . ?
N8 Nd4 C89 C88 160.5(3) . . . . ?
Cl3 Nd4 C89 C88 -106.3(2) . . . . ?
C86 Nd4 C89 C88 -100.7(3) . . . . ?
C85 Nd4 C89 C88 -124.7(3) . . . . ?
C67 Nd4 C89 C88 132.3(3) . . . . ?
Cl4 Nd4 C89 C88 18.4(3) . . . . ?
C87 Nd4 C89 C88 -72.1(3) . . . . ?
C88 Nd4 C89 C88 -143.9(4) 2 . . . ?
C85 Nd4 C89 C88 -20.1(3) 2 . . . ?
N7 Nd4 C89 Nd4 177.18(9) . . . 2 ?
N8 Nd4 C89 Nd4 -127.41(9) . . . 2 ?
Cl3 Nd4 C89 Nd4 -34.13(13) . . . 2 ?
C86 Nd4 C89 Nd4 -28.53(11) . . . 2 ?
C85 Nd4 C89 Nd4 -52.57(13) . . . 2 ?
C88 Nd4 C89 Nd4 72.1(3) . . . 2 ?
C67 Nd4 C89 Nd4 -155.55(9) . . . 2 ?
Cl4 Nd4 C89 Nd4 90.57(6) . . . 2 ?
C87 Nd4 C89 Nd4 0.0 . . . 2 ?
C88 Nd4 C89 Nd4 -71.8(2) 2 . . 2 ?
C85 Nd4 C89 Nd4 52.06(14) 2 . . 2 ?
C106 C101 C102 C103 0.4(10) . . . . ?
C107 C101 C102 C103 -179.8(7) . . . . ?
C101 C102 C103 C104 1.6(12) . . . . ?
C102 C103 C104 C105 -2.9(14) . . . . ?
C103 C104 C105 C106 2.2(14) . . . . ?
C102 C101 C106 C105 -1.1(10) . . . . ?
C107 C101 C106 C105 179.1(7) . . . . ?
C104 C105 C106 C101 -0.2(13) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        26.56
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         2.533
_refine_diff_density_min         -1.664
_refine_diff_density_rms         0.131
