# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_compound2
_database_code_depnum_ccdc_archive 'CCDC 1420189'
_audit_update_record             
;
2015-12-02 deposited with the CCDC.
2015-12-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H70 N6 O2 P3 Y'
_chemical_formula_sum            'C38 H70 N6 O2 P3 Y'
_chemical_formula_weight         824.82

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   18.6548(8)
_cell_length_b                   12.8018(6)
_cell_length_c                   20.0600(9)
_cell_angle_alpha                90
_cell_angle_beta                 102.581(5)
_cell_angle_gamma                90
_cell_volume                     4675.6(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2096
_cell_measurement_theta_min      3.364
_cell_measurement_theta_max      24.139

_exptl_crystal_description       prismatic
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.172
_exptl_crystal_F_000             1760
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.187
_exptl_crystal_size_mid          0.156
_exptl_crystal_size_min          0.112
_exptl_absorpt_coefficient_mu    1.385
_shelx_estimated_absorpt_T_min   0.782
_shelx_estimated_absorpt_T_max   0.860
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7945
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Eos, CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            9737
_diffrn_reflns_av_unetI/netI     0.0692
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.664
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4584
_reflns_number_gt                3382
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.264
_reflns_Friedel_fraction_max     0.264
_reflns_Friedel_fraction_full    0.279

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

_computing_data_collection       'Bruker FRAMBO'
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
; 
 w=1/[σ²(Fo²)+(0.0460P)²] 
 where P=(Fo²+2Fc²)/3 
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4584
_refine_ls_number_parameters     298
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.0788
_refine_ls_R_factor_gt           0.0495
_refine_ls_wR_factor_ref         0.1009
_refine_ls_wR_factor_gt          0.0941
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_restrained_S_all      1.006
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.5000 0.33121(3) 0.2500 0.03392(14) Uani 1 2 d S T P . .
P1 P 0.61848(5) 0.45053(7) 0.07569(4) 0.0560(3) Uani 1 1 d . . . . .
P3 P 0.5000 -0.04250(10) 0.2500 0.0837(5) Uani 1 2 d S T P . .
O1 O 0.38939(10) 0.37867(16) 0.17119(9) 0.0484(5) Uani 1 1 d . . . . .
N1 N 0.56868(13) 0.34198(17) 0.16453(11) 0.0411(6) Uani 1 1 d . . . . .
N2 N 0.54985(12) 0.44427(18) 0.17512(11) 0.0396(6) Uani 1 1 d . . . . .
N5 N 0.46753(12) 0.15258(17) 0.22571(12) 0.0461(6) Uani 1 1 d . . . . .
C1 C 0.60554(16) 0.3324(2) 0.11461(13) 0.0451(7) Uani 1 1 d . . . . .
C2 C 0.57223(15) 0.5110(2) 0.13299(14) 0.0418(7) Uani 1 1 d . . . . .
C3 C 0.6347(2) 0.2255(3) 0.09948(16) 0.0620(9) Uani 1 1 d D . . . .
C4 C 0.5773(7) 0.1435(8) 0.0952(10) 0.109(5) Uani 0.66(3) 1 d D . P A 1
H4A H 0.5632 0.1380 0.1383 0.164 Uiso 0.66(3) 1 calc R U P A 1
H4B H 0.5964 0.0777 0.0841 0.164 Uiso 0.66(3) 1 calc R U P A 1
H4C H 0.5351 0.1619 0.0604 0.164 Uiso 0.66(3) 1 calc R U P A 1
C5 C 0.6991(7) 0.2037(11) 0.1589(6) 0.121(5) Uani 0.66(3) 1 d D . P A 1
H5A H 0.7321 0.2622 0.1652 0.181 Uiso 0.66(3) 1 calc R U P A 1
H5B H 0.7246 0.1423 0.1492 0.181 Uiso 0.66(3) 1 calc R U P A 1
H5C H 0.6813 0.1927 0.1998 0.181 Uiso 0.66(3) 1 calc R U P A 1
C6 C 0.6592(10) 0.2318(16) 0.0314(7) 0.126(6) Uani 0.66(3) 1 d D . P A 1
H6A H 0.6174 0.2460 -0.0048 0.189 Uiso 0.66(3) 1 calc R U P A 1
H6B H 0.6808 0.1665 0.0228 0.189 Uiso 0.66(3) 1 calc R U P A 1
H6C H 0.6946 0.2867 0.0336 0.189 Uiso 0.66(3) 1 calc R U P A 1
C4A C 0.5673(14) 0.154(2) 0.0736(19) 0.139(13) Uani 0.34(3) 1 d D U P A 2
H4A1 H 0.5445 0.1721 0.0275 0.209 Uiso 0.34(3) 1 calc R U P A 2
H4A2 H 0.5326 0.1624 0.1022 0.209 Uiso 0.34(3) 1 calc R U P A 2
H4A3 H 0.5831 0.0822 0.0751 0.209 Uiso 0.34(3) 1 calc R U P A 2
C5A C 0.678(2) 0.170(3) 0.1617(8) 0.22(2) Uani 0.34(3) 1 d D . P A 2
H5A1 H 0.7053 0.1132 0.1474 0.334 Uiso 0.34(3) 1 calc R U P A 2
H5A2 H 0.6454 0.1428 0.1882 0.334 Uiso 0.34(3) 1 calc R U P A 2
H5A3 H 0.7119 0.2180 0.1888 0.334 Uiso 0.34(3) 1 calc R U P A 2
C6A C 0.6768(15) 0.225(3) 0.0437(11) 0.077(7) Uani 0.34(3) 1 d D U P A 2
H6A1 H 0.6472 0.2544 0.0030 0.115 Uiso 0.34(3) 1 calc R U P A 2
H6A2 H 0.6894 0.1541 0.0348 0.115 Uiso 0.34(3) 1 calc R U P A 2
H6A3 H 0.7209 0.2651 0.0577 0.115 Uiso 0.34(3) 1 calc R U P A 2
C7 C 0.55955(18) 0.6277(2) 0.13868(16) 0.0519(8) Uani 1 1 d . . . . .
C8 C 0.5740(3) 0.6849(3) 0.07522(19) 0.0881(13) Uani 1 1 d . . . . .
H8A H 0.5660 0.7585 0.0795 0.132 Uiso 1 1 calc R U . . .
H8B H 0.5412 0.6588 0.0350 0.132 Uiso 1 1 calc R U . . .
H8C H 0.6239 0.6731 0.0717 0.132 Uiso 1 1 calc R U . . .
C9 C 0.4804(2) 0.6481(3) 0.1439(2) 0.0804(12) Uani 1 1 d . . . . .
H9A H 0.4691 0.6066 0.1802 0.121 Uiso 1 1 calc R U . . .
H9B H 0.4478 0.6297 0.1016 0.121 Uiso 1 1 calc R U . . .
H9C H 0.4745 0.7207 0.1533 0.121 Uiso 1 1 calc R U . . .
C10 C 0.6134(2) 0.6696(3) 0.20165(19) 0.0784(11) Uani 1 1 d . . . . .
H10A H 0.6060 0.6338 0.2416 0.118 Uiso 1 1 calc R U . . .
H10B H 0.6053 0.7431 0.2062 0.118 Uiso 1 1 calc R U . . .
H10C H 0.6629 0.6582 0.1966 0.118 Uiso 1 1 calc R U . . .
C21 C 0.44310(16) 0.0555(2) 0.20786(17) 0.0582(9) Uani 1 1 d . . . . .
C23 C 0.3733(2) 0.0374(3) 0.1539(2) 0.0822(13) Uani 1 1 d D . . . .
C31 C 0.3823(2) 0.3885(3) 0.09745(15) 0.0740(11) Uani 1 1 d . . . . .
H31A H 0.4125 0.4454 0.0872 0.089 Uiso 1 1 calc R U . . .
H31B H 0.3974 0.3245 0.0786 0.089 Uiso 1 1 calc R U . . .
C32 C 0.3047(2) 0.4096(6) 0.0689(2) 0.173(3) Uani 1 1 d . . . . .
H32A H 0.2993 0.4785 0.0482 0.208 Uiso 1 1 calc R U . . .
H32B H 0.2855 0.3586 0.0338 0.208 Uiso 1 1 calc R U . . .
C33 C 0.2646(2) 0.4043(4) 0.1222(2) 0.1025(15) Uani 1 1 d . . . . .
H33A H 0.2367 0.3399 0.1191 0.123 Uiso 1 1 calc R U . . .
H33B H 0.2310 0.4628 0.1192 0.123 Uiso 1 1 calc R U . . .
C34 C 0.31989(18) 0.4081(3) 0.18635(18) 0.0756(11) Uani 1 1 d . . . . .
H34A H 0.3229 0.4780 0.2054 0.091 Uiso 1 1 calc R U . . .
H34B H 0.3070 0.3602 0.2193 0.091 Uiso 1 1 calc R U . . .
C26 C 0.3490(7) -0.0757(7) 0.1450(10) 0.157(9) Uani 0.609(10) 1 d D . P B 1
H26A H 0.3357 -0.0998 0.1859 0.236 Uiso 0.609(10) 1 calc R U P B 1
H26B H 0.3886 -0.1176 0.1360 0.236 Uiso 0.609(10) 1 calc R U P B 1
H26C H 0.3074 -0.0812 0.1073 0.236 Uiso 0.609(10) 1 calc R U P B 1
C25 C 0.3914(4) 0.0641(11) 0.0776(4) 0.130(5) Uani 0.609(10) 1 d D . P B 1
H25A H 0.3502 0.0442 0.0422 0.194 Uiso 0.609(10) 1 calc R U P B 1
H25B H 0.4341 0.0259 0.0723 0.194 Uiso 0.609(10) 1 calc R U P B 1
H25C H 0.4003 0.1377 0.0744 0.194 Uiso 0.609(10) 1 calc R U P B 1
C27 C 0.3118(5) 0.1174(11) 0.1581(6) 0.104(5) Uani 0.609(10) 1 d D . P B 1
H27A H 0.2935 0.1044 0.1985 0.156 Uiso 0.609(10) 1 calc R U P B 1
H27B H 0.2725 0.1103 0.1186 0.156 Uiso 0.609(10) 1 calc R U P B 1
H27C H 0.3314 0.1870 0.1598 0.156 Uiso 0.609(10) 1 calc R U P B 1
C25A C 0.3194(6) -0.0195(14) 0.2036(6) 0.111(6) Uani 0.391(10) 1 d D . P B 2
H25D H 0.3061 0.0321 0.2335 0.166 Uiso 0.391(10) 1 calc R U P B 2
H25E H 0.3463 -0.0748 0.2303 0.166 Uiso 0.391(10) 1 calc R U P B 2
H25F H 0.2757 -0.0475 0.1747 0.166 Uiso 0.391(10) 1 calc R U P B 2
C26A C 0.3806(10) -0.0399(14) 0.1133(11) 0.137(10) Uani 0.391(10) 1 d . . P B 2
H26D H 0.3361 -0.0479 0.0791 0.205 Uiso 0.391(10) 1 calc R U P B 2
H26E H 0.3905 -0.1032 0.1393 0.205 Uiso 0.391(10) 1 calc R U P B 2
H26F H 0.4206 -0.0254 0.0915 0.205 Uiso 0.391(10) 1 calc R U P B 2
C27A C 0.3338(10) 0.1226(15) 0.1348(9) 0.086(5) Uani 0.391(10) 1 d . U P B 2
H27D H 0.3548 0.1610 0.1025 0.128 Uiso 0.391(10) 1 calc R U P B 2
H27E H 0.3338 0.1655 0.1740 0.128 Uiso 0.391(10) 1 calc R U P B 2
H27F H 0.2843 0.1032 0.1140 0.128 Uiso 0.391(10) 1 calc R U P B 2


_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
Y1 N1 2.357(2) 2_655 ?
Y1 N1 2.357(2) . ?
Y1 O1 2.3884(19) . ?
Y1 O1 2.3885(19) 2_655 ?
Y1 N5 2.389(2) . ?
Y1 N5 2.389(2) 2_655 ?
Y1 N2 2.413(2) . ?
Y1 N2 2.413(2) 2_655 ?
P1 C1 1.742(3) . ?
P1 C2 1.760(3) . ?
P3 C21 1.739(3) 2_655 ?
P3 C21 1.739(3) . ?
O1 C34 1.445(4) . ?
O1 C31 1.462(3) . ?
N1 C1 1.338(3) . ?
N1 N2 1.384(3) . ?
N2 C2 1.331(3) . ?
N5 C21 1.345(3) . ?
N5 N5 1.379(4) 2_655 ?
C1 C3 1.527(4) . ?
C2 C7 1.521(4) . ?
C3 C4 1.489(8) . ?
C3 C6A 1.501(13) . ?
C3 C5A 1.512(13) . ?
C3 C5 1.523(8) . ?
C3 C6 1.535(9) . ?
C3 C4A 1.553(14) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C4A H4A1 0.9600 . ?
C4A H4A2 0.9600 . ?
C4A H4A3 0.9600 . ?
C5A H5A1 0.9600 . ?
C5A H5A2 0.9600 . ?
C5A H5A3 0.9600 . ?
C6A H6A1 0.9600 . ?
C6A H6A2 0.9600 . ?
C6A H6A3 0.9600 . ?
C7 C9 1.525(4) . ?
C7 C10 1.530(4) . ?
C7 C8 1.543(4) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C21 C23 1.518(5) . ?
C23 C26A 1.308(16) . ?
C23 C27A 1.326(17) . ?
C23 C26 1.516(8) . ?
C23 C27 1.555(10) . ?
C23 C25 1.673(8) . ?
C23 C25A 1.725(10) . ?
C31 C32 1.460(5) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.436(5) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.464(5) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C25A H25D 0.9600 . ?
C25A H25E 0.9600 . ?
C25A H25F 0.9600 . ?
C26A H26D 0.9600 . ?
C26A H26E 0.9600 . ?
C26A H26F 0.9600 . ?
C27A H27D 0.9600 . ?
C27A H27E 0.9600 . ?
C27A H27F 0.9600 . ?

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
N1 Y1 N1 173.29(11) 2_655 . ?
N1 Y1 O1 86.47(7) 2_655 . ?
N1 Y1 O1 91.82(7) . . ?
N1 Y1 O1 91.82(7) 2_655 2_655 ?
N1 Y1 O1 86.47(7) . 2_655 ?
O1 Y1 O1 150.53(10) . 2_655 ?
N1 Y1 N5 92.90(8) 2_655 . ?
N1 Y1 N5 93.52(8) . . ?
O1 Y1 N5 87.96(7) . . ?
O1 Y1 N5 121.51(7) 2_655 . ?
N1 Y1 N5 93.52(8) 2_655 2_655 ?
N1 Y1 N5 92.90(8) . 2_655 ?
O1 Y1 N5 121.51(7) . 2_655 ?
O1 Y1 N5 87.96(7) 2_655 2_655 ?
N5 Y1 N5 33.56(11) . 2_655 ?
N1 Y1 N2 139.62(8) 2_655 . ?
N1 Y1 N2 33.70(7) . . ?
O1 Y1 N2 80.21(7) . . ?
O1 Y1 N2 82.24(7) 2_655 . ?
N5 Y1 N2 124.21(8) . . ?
N5 Y1 N2 125.89(8) 2_655 . ?
N1 Y1 N2 33.71(7) 2_655 2_655 ?
N1 Y1 N2 139.62(8) . 2_655 ?
O1 Y1 N2 82.24(7) . 2_655 ?
O1 Y1 N2 80.21(7) 2_655 2_655 ?
N5 Y1 N2 125.89(8) . 2_655 ?
N5 Y1 N2 124.20(8) 2_655 2_655 ?
N2 Y1 N2 106.30(10) . 2_655 ?
C1 P1 C2 87.35(13) . . ?
C21 P3 C21 87.7(2) 2_655 . ?
C34 O1 C31 107.6(3) . . ?
C34 O1 Y1 127.77(18) . . ?
C31 O1 Y1 124.52(19) . . ?
C1 N1 N2 113.0(2) . . ?
C1 N1 Y1 171.21(19) . . ?
N2 N1 Y1 75.37(13) . . ?
C2 N2 N1 112.6(2) . . ?
C2 N2 Y1 175.3(2) . . ?
N1 N2 Y1 70.93(13) . . ?
C21 N5 N5 112.49(17) . 2_655 ?
C21 N5 Y1 174.3(2) . . ?
N5 N5 Y1 73.22(5) 2_655 . ?
N1 C1 C3 119.6(3) . . ?
N1 C1 P1 113.6(2) . . ?
C3 C1 P1 126.8(2) . . ?
N2 C2 C7 120.5(2) . . ?
N2 C2 P1 113.4(2) . . ?
C7 C2 P1 126.0(2) . . ?
C6A C3 C5A 109.6(12) . . ?
C4 C3 C5 110.5(9) . . ?
C4 C3 C1 111.2(5) . . ?
C6A C3 C1 114.9(15) . . ?
C5A C3 C1 114.2(11) . . ?
C5 C3 C1 105.3(5) . . ?
C4 C3 C6 109.6(8) . . ?
C5 C3 C6 111.6(8) . . ?
C1 C3 C6 108.6(8) . . ?
C6A C3 C4A 105.3(12) . . ?
C5A C3 C4A 104.3(13) . . ?
C1 C3 C4A 107.5(13) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C3 C4A H4A1 109.5 . . ?
C3 C4A H4A2 109.5 . . ?
H4A1 C4A H4A2 109.5 . . ?
C3 C4A H4A3 109.5 . . ?
H4A1 C4A H4A3 109.5 . . ?
H4A2 C4A H4A3 109.5 . . ?
C3 C5A H5A1 109.5 . . ?
C3 C5A H5A2 109.5 . . ?
H5A1 C5A H5A2 109.5 . . ?
C3 C5A H5A3 109.5 . . ?
H5A1 C5A H5A3 109.5 . . ?
H5A2 C5A H5A3 109.5 . . ?
C3 C6A H6A1 109.5 . . ?
C3 C6A H6A2 109.5 . . ?
H6A1 C6A H6A2 109.5 . . ?
C3 C6A H6A3 109.5 . . ?
H6A1 C6A H6A3 109.5 . . ?
H6A2 C6A H6A3 109.5 . . ?
C2 C7 C9 110.0(3) . . ?
C2 C7 C10 108.7(3) . . ?
C9 C7 C10 110.8(3) . . ?
C2 C7 C8 110.3(3) . . ?
C9 C7 C8 108.8(3) . . ?
C10 C7 C8 108.3(3) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N5 C21 C23 121.2(3) . . ?
N5 C21 P3 113.7(2) . . ?
C23 C21 P3 125.0(2) . . ?
C26A C23 C27A 124.7(12) . . ?
C26A C23 C21 111.8(8) . . ?
C27A C23 C21 114.6(8) . . ?
C26 C23 C21 114.7(6) . . ?
C26 C23 C27 115.5(8) . . ?
C21 C23 C27 112.9(5) . . ?
C26 C23 C25 101.7(8) . . ?
C21 C23 C25 108.0(4) . . ?
C27 C23 C25 102.3(6) . . ?
C26A C23 C25A 101.2(10) . . ?
C27A C23 C25A 99.1(10) . . ?
C21 C23 C25A 99.8(5) . . ?
C32 C31 O1 106.1(3) . . ?
C32 C31 H31A 110.5 . . ?
O1 C31 H31A 110.5 . . ?
C32 C31 H31B 110.5 . . ?
O1 C31 H31B 110.5 . . ?
H31A C31 H31B 108.7 . . ?
C33 C32 C31 109.4(3) . . ?
C33 C32 H32A 109.8 . . ?
C31 C32 H32A 109.8 . . ?
C33 C32 H32B 109.8 . . ?
C31 C32 H32B 109.8 . . ?
H32A C32 H32B 108.3 . . ?
C32 C33 C34 105.8(3) . . ?
C32 C33 H33A 110.6 . . ?
C34 C33 H33A 110.6 . . ?
C32 C33 H33B 110.6 . . ?
C34 C33 H33B 110.6 . . ?
H33A C33 H33B 108.7 . . ?
O1 C34 C33 107.4(3) . . ?
O1 C34 H34A 110.2 . . ?
C33 C34 H34A 110.2 . . ?
O1 C34 H34B 110.2 . . ?
C33 C34 H34B 110.2 . . ?
H34A C34 H34B 108.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C27 H27A 109.5 . . ?
C23 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C23 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C25A H25D 109.5 . . ?
C23 C25A H25E 109.5 . . ?
H25D C25A H25E 109.5 . . ?
C23 C25A H25F 109.5 . . ?
H25D C25A H25F 109.5 . . ?
H25E C25A H25F 109.5 . . ?
C23 C26A H26D 109.5 . . ?
C23 C26A H26E 109.5 . . ?
H26D C26A H26E 109.5 . . ?
C23 C26A H26F 109.5 . . ?
H26D C26A H26F 109.5 . . ?
H26E C26A H26F 109.5 . . ?
C23 C27A H27D 109.5 . . ?
C23 C27A H27E 109.5 . . ?
H27D C27A H27E 109.5 . . ?
C23 C27A H27F 109.5 . . ?
H27D C27A H27F 109.5 . . ?
H27E C27A H27F 109.5 . . ?

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
C1 N1 N2 C2 0.3(3) . . . . ?
Y1 N1 N2 C2 -176.7(2) . . . . ?
C1 N1 N2 Y1 177.0(2) . . . . ?
N2 N1 C1 C3 176.1(3) . . . . ?
N2 N1 C1 P1 -1.0(3) . . . . ?
C2 P1 C1 N1 1.0(2) . . . . ?
C2 P1 C1 C3 -175.8(3) . . . . ?
N1 N2 C2 C7 -177.4(2) . . . . ?
N1 N2 C2 P1 0.5(3) . . . . ?
C1 P1 C2 N2 -0.8(2) . . . . ?
C1 P1 C2 C7 176.9(3) . . . . ?
N1 C1 C3 C4 47.2(9) . . . . ?
P1 C1 C3 C4 -136.1(9) . . . . ?
N1 C1 C3 C6A -178.4(12) . . . . ?
P1 C1 C3 C6A -1.7(13) . . . . ?
N1 C1 C3 C5A -51(2) . . . . ?
P1 C1 C3 C5A 126(2) . . . . ?
N1 C1 C3 C5 -72.5(7) . . . . ?
P1 C1 C3 C5 104.2(7) . . . . ?
N1 C1 C3 C6 167.8(8) . . . . ?
P1 C1 C3 C6 -15.5(9) . . . . ?
N1 C1 C3 C4A 64.7(16) . . . . ?
P1 C1 C3 C4A -118.6(16) . . . . ?
N2 C2 C7 C9 -47.2(4) . . . . ?
P1 C2 C7 C9 135.2(3) . . . . ?
N2 C2 C7 C10 74.2(4) . . . . ?
P1 C2 C7 C10 -103.4(3) . . . . ?
N2 C2 C7 C8 -167.2(3) . . . . ?
P1 C2 C7 C8 15.2(4) . . . . ?
N5 N5 C21 C23 -178.6(3) 2_655 . . . ?
N5 N5 C21 P3 -0.5(4) 2_655 . . . ?
C21 P3 C21 N5 0.20(15) 2_655 . . . ?
C21 P3 C21 C23 178.2(4) 2_655 . . . ?
N5 C21 C23 C26A 138.8(12) . . . . ?
P3 C21 C23 C26A -39.0(13) . . . . ?
N5 C21 C23 C27A -10.2(11) . . . . ?
P3 C21 C23 C27A 172.0(10) . . . . ?
N5 C21 C23 C26 -173.9(9) . . . . ?
P3 C21 C23 C26 8.3(10) . . . . ?
N5 C21 C23 C27 -38.8(8) . . . . ?
P3 C21 C23 C27 143.4(6) . . . . ?
N5 C21 C23 C25 73.6(6) . . . . ?
P3 C21 C23 C25 -104.3(6) . . . . ?
N5 C21 C23 C25A -114.9(8) . . . . ?
P3 C21 C23 C25A 67.3(8) . . . . ?
C34 O1 C31 C32 -7.9(5) . . . . ?
Y1 O1 C31 C32 175.2(3) . . . . ?
O1 C31 C32 C33 -4.6(6) . . . . ?
C31 C32 C33 C34 15.1(7) . . . . ?
C31 O1 C34 C33 17.3(4) . . . . ?
Y1 O1 C34 C33 -165.9(3) . . . . ?
C32 C33 C34 O1 -19.9(6) . . . . ?

_refine_diff_density_max         0.370
_refine_diff_density_min         -0.275
_refine_diff_density_rms         0.054

_shelxl_version_number           2013-2

####################################################################### 
# 
# 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_compound3
_database_code_depnum_ccdc_archive 'CCDC 1420190'
_audit_update_record             
;
2015-12-02 deposited with the CCDC.
2015-12-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H70 Er N6 O2 P3'
_chemical_formula_sum            'C38 H70 Er N6 O2 P3'
_chemical_formula_weight         903.17

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'
Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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 2/c'
_space_group_name_Hall           '-C 2yc'

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                   18.5513(10)
_cell_length_b                   12.7599(5)
_cell_length_c                   19.9743(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.571(5)
_cell_angle_gamma                90.00
_cell_volume                     4614.8(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    3705
_cell_measurement_theta_min      3.6830
_cell_measurement_theta_max      28.1180

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.300
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1876
_exptl_absorpt_coefficient_mu    1.958
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6508
_exptl_absorpt_correction_T_max  0.9258
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Eos
_diffrn_detector_area_resol_mean 16.0251
_diffrn_standards_number         11381
_diffrn_standards_interval_count 1
_diffrn_standards_interval_time  14.875
_diffrn_standards_decay_%        none
_diffrn_reflns_number            10471
_diffrn_reflns_av_R_equivalents  0.0627
_diffrn_reflns_av_unetI/netI     0.0861
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.03
_diffrn_reflns_theta_max         26.37
_reflns_number_total             4707
_reflns_number_gt                3731
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_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. 
Restraints used in the ins file:
simu 0.005 0.005 c17 c17'
shel 999 0.80
simu 0.005 0.005 C3 C4 C3' C4' C5 C5'
simu 0.005 0.005 C7 C8
CONF
sadi 0.01  c2 c3 c2 c4 C2 c3' c2 c4' C2 c5 C2 C5'
sadi 0.01 c16 c17 c16 c17'
sadi C7 C6 C7 C8 C7 C9
sadi C3' C4' C4' C5' C5' C3'
exyz c18 c18'
eadp c18 c18'
exyz c16 c16'
eadp c16 c16'
isor 0.005 C17
FREE C19  C17'
FREE C4   C5'
FREE C5'  C5
FREE C4'  C3'
;

_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)+(0.0577P)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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4707
_refine_ls_number_parameters     274
_refine_ls_number_restraints     64
_refine_ls_R_factor_all          0.0789
_refine_ls_R_factor_gt           0.0549
_refine_ls_wR_factor_ref         0.1275
_refine_ls_wR_factor_gt          0.1146
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_restrained_S_all      1.097
_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
C1 C 0.0565(4) 0.4421(5) 0.2918(4) 0.0550(18) Uani 1 1 d . A .
C2 C 0.1265(5) 0.4628(6) 0.3444(5) 0.083(3) Uani 1 1 d D . .
C3 C 0.1477(10) 0.5769(10) 0.3565(11) 0.136(6) Uani 0.613(10) 1 d PDU A 1
H3A H 0.1832 0.5838 0.3991 0.205 Uiso 0.613(10) 1 calc PR A 1
H3B H 0.1045 0.6173 0.3584 0.205 Uiso 0.613(10) 1 calc PR A 1
H3C H 0.1687 0.6020 0.3196 0.205 Uiso 0.613(10) 1 calc PR A 1
C4 C 0.1122(9) 0.4346(16) 0.4158(7) 0.140(6) Uani 0.613(10) 1 d PDU A 1
H4A H 0.1536 0.4563 0.4508 0.210 Uiso 0.613(10) 1 calc PR A 1
H4B H 0.1056 0.3603 0.4186 0.210 Uiso 0.613(10) 1 calc PR A 1
H4C H 0.0685 0.4699 0.4223 0.210 Uiso 0.613(10) 1 calc PR A 1
C5 C 0.1881(10) 0.3865(14) 0.3412(12) 0.088(7) Uani 0.613(10) 1 d PDU A 1
H5A H 0.2084 0.4022 0.3020 0.132 Uiso 0.613(10) 1 calc PR A 1
H5B H 0.1690 0.3164 0.3373 0.132 Uiso 0.613(10) 1 calc PR A 1
H5C H 0.2261 0.3925 0.3822 0.132 Uiso 0.613(10) 1 calc PR A 1
C3' C 0.1085(14) 0.5305(19) 0.4010(10) 0.138(6) Uani 0.387(10) 1 d PDU A 2
H3'A H 0.1059 0.6026 0.3869 0.207 Uiso 0.387(10) 1 calc PR A 2
H3'B H 0.1463 0.5223 0.4419 0.207 Uiso 0.387(10) 1 calc PR A 2
H3'C H 0.0618 0.5094 0.4099 0.207 Uiso 0.387(10) 1 calc PR A 2
C4' C 0.1713(12) 0.5251(18) 0.3012(11) 0.137(6) Uani 0.387(10) 1 d PDU A 2
H4'A H 0.1540 0.5081 0.2535 0.205 Uiso 0.387(10) 1 calc PR A 2
H4'B H 0.2226 0.5073 0.3153 0.205 Uiso 0.387(10) 1 calc PR A 2
H4'C H 0.1651 0.5989 0.3077 0.205 Uiso 0.387(10) 1 calc PR A 2
C5' C 0.1674(18) 0.3627(19) 0.3698(17) 0.090(7) Uani 0.387(10) 1 d PDU A 2
H5'A H 0.1928 0.3374 0.3360 0.135 Uiso 0.387(10) 1 calc PR A 2
H5'B H 0.1327 0.3107 0.3777 0.135 Uiso 0.387(10) 1 calc PR A 2
H5'C H 0.2025 0.3764 0.4118 0.135 Uiso 0.387(10) 1 calc PR A 2
C7 C -0.1342(5) 0.2760(7) 0.4009(3) 0.074(2) Uani 1 1 d DU . .
C6 C -0.0750(7) 0.3548(7) 0.4095(8) 0.146(6) Uani 1 1 d D . .
H6A H -0.0878 0.4139 0.4343 0.219 Uiso 1 1 calc R . .
H6B H -0.0687 0.3773 0.3652 0.219 Uiso 1 1 calc R . .
H6C H -0.0297 0.3246 0.4346 0.219 Uiso 1 1 calc R . .
C8 C -0.1940(6) 0.3065(7) 0.3399(4) 0.101(3) Uani 1 1 d DU . .
H8A H -0.2148 0.3727 0.3487 0.151 Uiso 1 1 calc R . .
H8B H -0.2319 0.2540 0.3321 0.151 Uiso 1 1 calc R . .
H8C H -0.1732 0.3124 0.3000 0.151 Uiso 1 1 calc R . .
C9 C -0.1673(7) 0.2703(8) 0.4620(5) 0.115(4) Uani 1 1 d D . .
H9A H -0.1305 0.2475 0.5008 0.173 Uiso 1 1 calc R . .
H9B H -0.2075 0.2213 0.4535 0.173 Uiso 1 1 calc R . .
H9C H -0.1851 0.3382 0.4711 0.173 Uiso 1 1 calc R . .
C10 C -0.1053(4) 0.1681(5) 0.3853(3) 0.0428(14) Uani 1 1 d . . .
C11 C -0.0730(3) -0.0101(5) 0.3668(3) 0.0416(14) Uani 1 1 d . . .
C12 C -0.0594(4) -0.1266(5) 0.3610(3) 0.0507(17) Uani 1 1 d . . .
C13 C 0.0202(5) -0.1473(6) 0.3554(5) 0.081(3) Uani 1 1 d . . .
H13A H 0.0265 -0.2206 0.3477 0.121 Uiso 1 1 calc R . .
H13B H 0.0532 -0.1264 0.3972 0.121 Uiso 1 1 calc R . .
H13C H 0.0308 -0.1077 0.3178 0.121 Uiso 1 1 calc R . .
C14 C -0.1137(5) -0.1701(6) 0.2984(4) 0.080(3) Uani 1 1 d . . .
H14A H -0.1629 -0.1674 0.3064 0.120 Uiso 1 1 calc R . .
H14B H -0.1012 -0.2415 0.2909 0.120 Uiso 1 1 calc R . .
H14C H -0.1113 -0.1289 0.2588 0.120 Uiso 1 1 calc R . .
C15 C -0.0739(6) -0.1851(6) 0.4247(4) 0.087(3) Uani 1 1 d . . .
H15A H -0.1244 -0.1750 0.4277 0.130 Uiso 1 1 calc R . .
H15B H -0.0418 -0.1580 0.4653 0.130 Uiso 1 1 calc R . .
H15C H -0.0646 -0.2586 0.4206 0.130 Uiso 1 1 calc R . .
C19 C 0.1790(4) 0.0913(8) 0.3143(4) 0.074(2) Uani 1 1 d . . .
H19A H 0.1922 0.1381 0.2806 0.089 Uiso 1 1 calc R B 1
H19B H 0.1752 0.0208 0.2957 0.089 Uiso 1 1 calc R B 1
C16 C 0.1169(4) 0.1127(7) 0.4024(3) 0.069(2) Uani 0.511(19) 1 d PD C 1
H16A H 0.0978 0.0455 0.4131 0.082 Uiso 0.511(19) 1 calc PR C 1
H16B H 0.0887 0.1676 0.4186 0.082 Uiso 0.511(19) 1 calc PR C 1
C17 C 0.1983(7) 0.1224(19) 0.4367(8) 0.072(4) Uani 0.511(19) 1 d PDU C 1
H17A H 0.2118 0.0735 0.4745 0.086 Uiso 0.511(19) 1 calc PR C 1
H17B H 0.2104 0.1930 0.4533 0.086 Uiso 0.511(19) 1 calc PR C 1
C18 C 0.2363(5) 0.0949(9) 0.3784(5) 0.095(3) Uani 0.511(19) 1 d P C 1
H18A H 0.2731 0.1474 0.3750 0.115 Uiso 0.511(19) 1 calc PR C 1
H18B H 0.2607 0.0274 0.3870 0.115 Uiso 0.511(19) 1 calc PR C 1
C16' C 0.1169(4) 0.1127(7) 0.4024(3) 0.069(2) Uani 0.489(19) 1 d P C 2
H16C H 0.0775 0.0702 0.4129 0.082 Uiso 0.489(19) 1 calc PR C 2
H16D H 0.1167 0.1808 0.4239 0.082 Uiso 0.489(19) 1 calc PR C 2
C17' C 0.1922(8) 0.0584(19) 0.4245(9) 0.074(4) Uani 0.489(19) 1 d PDU C 2
H17C H 0.2152 0.0767 0.4714 0.089 Uiso 0.489(19) 1 calc PR C 2
H17D H 0.1865 -0.0171 0.4214 0.089 Uiso 0.489(19) 1 calc PR C 2
C18' C 0.2363(5) 0.0949(9) 0.3784(5) 0.095(3) Uani 0.489(19) 1 d P C 2
H18C H 0.2772 0.0482 0.3771 0.115 Uiso 0.489(19) 1 calc PR C 2
H18D H 0.2547 0.1654 0.3895 0.115 Uiso 0.489(19) 1 calc PR C 2
Er1 Er 0.0000 0.16900(3) 0.2500 0.03428(15) Uani 1 2 d S . .
N1 N -0.0671(3) 0.1587(4) 0.3362(2) 0.0409(12) Uani 1 1 d . C .
N2 N -0.0507(3) 0.0560(4) 0.3240(2) 0.0385(11) Uani 1 1 d . C .
N3 N 0.0328(3) 0.3454(4) 0.2744(3) 0.0458(13) Uani 1 1 d . . .
O1 O 0.1103(2) 0.1223(4) 0.32869(19) 0.0456(10) Uani 1 1 d . C .
P1 P -0.11825(11) 0.04958(15) 0.42402(9) 0.0552(5) Uani 1 1 d . . .
P2 P 0.0000 0.5418(2) 0.2500 0.0842(11) Uani 1 2 d S . .


_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
C1 N3 1.331(7) . ?
C1 C2 1.505(10) . ?
C1 P2 1.741(7) . ?
C2 C3 1.513(9) . ?
C2 C5 1.514(9) . ?
C2 C5' 1.516(10) . ?
C2 C3' 1.516(10) . ?
C2 C4' 1.542(10) . ?
C2 C4 1.550(9) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C3' H3'A 0.9600 . ?
C3' H3'B 0.9600 . ?
C3' H3'C 0.9600 . ?
C4' H4'A 0.9600 . ?
C4' H4'B 0.9600 . ?
C4' H4'C 0.9600 . ?
C5' H5'A 0.9600 . ?
C5' H5'B 0.9600 . ?
C5' H5'C 0.9600 . ?
C7 C6 1.472(10) . ?
C7 C9 1.482(9) . ?
C7 C8 1.509(9) . ?
C7 C10 1.534(9) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 N1 1.335(7) . ?
C10 P1 1.738(6) . ?
C11 N2 1.330(7) . ?
C11 C12 1.517(9) . ?
C11 P1 1.735(6) . ?
C12 C13 1.526(10) . ?
C12 C14 1.529(10) . ?
C12 C15 1.549(9) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C19 O1 1.423(8) . ?
C19 C18 1.476(10) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C16 O1 1.455(7) . ?
C16 C17 1.522(13) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.53(2) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C17' H17C 0.9700 . ?
C17' H17D 0.9700 . ?
Er1 N1 2.337(5) 2 ?
Er1 N1 2.337(5) . ?
Er1 N3 2.354(5) . ?
Er1 N3 2.354(5) 2 ?
Er1 O1 2.369(4) . ?
Er1 O1 2.369(4) 2 ?
Er1 N2 2.398(5) 2 ?
Er1 N2 2.398(5) . ?
N1 N2 1.378(6) . ?
N3 N3 1.382(9) 2 ?
P2 C1 1.741(7) 2 ?

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 C1 C2 122.1(6) . . ?
N3 C1 P2 114.9(5) . . ?
C2 C1 P2 123.0(5) . . ?
C1 C2 C3 115.8(8) . . ?
C1 C2 C5 113.7(11) . . ?
C3 C2 C5 117.0(13) . . ?
C1 C2 C5' 112.2(17) . . ?
C3 C2 C5' 131.6(18) . . ?
C5 C2 C5' 31.2(12) . . ?
C1 C2 C3' 108.8(11) . . ?
C3 C2 C3' 54.9(11) . . ?
C5 C2 C3' 133.6(16) . . ?
C5' C2 C3' 113.9(11) . . ?
C1 C2 C4' 100.8(11) . . ?
C3 C2 C4' 56.0(11) . . ?
C5 C2 C4' 78.7(12) . . ?
C5' C2 C4' 109.3(10) . . ?
C3' C2 C4' 110.9(10) . . ?
C1 C2 C4 107.9(8) . . ?
C3 C2 C4 99.6(12) . . ?
C5 C2 C4 99.9(12) . . ?
C5' C2 C4 70.7(12) . . ?
C3' C2 C4 48.4(11) . . ?
C4' C2 C4 148.9(12) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
C2 C3' H3'A 109.5 . . ?
C2 C3' H3'B 109.5 . . ?
H3'A C3' H3'B 109.5 . . ?
C2 C3' H3'C 109.5 . . ?
H3'A C3' H3'C 109.5 . . ?
H3'B C3' H3'C 109.5 . . ?
C2 C4' H4'A 109.5 . . ?
C2 C4' H4'B 109.5 . . ?
H4'A C4' H4'B 109.5 . . ?
C2 C4' H4'C 109.5 . . ?
H4'A C4' H4'C 109.5 . . ?
H4'B C4' H4'C 109.5 . . ?
C2 C5' H5'A 109.5 . . ?
C2 C5' H5'B 109.5 . . ?
H5'A C5' H5'B 109.5 . . ?
C2 C5' H5'C 109.5 . . ?
H5'A C5' H5'C 109.5 . . ?
H5'B C5' H5'C 109.5 . . ?
C6 C7 C9 111.7(8) . . ?
C6 C7 C8 108.5(9) . . ?
C9 C7 C8 108.4(8) . . ?
C6 C7 C10 110.6(7) . . ?
C9 C7 C10 110.3(7) . . ?
C8 C7 C10 107.2(6) . . ?
C7 C6 H6A 109.5 . . ?
C7 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C7 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 C10 C7 119.6(5) . . ?
N1 C10 P1 113.3(4) . . ?
C7 C10 P1 127.1(5) . . ?
N2 C11 C12 119.5(5) . . ?
N2 C11 P1 114.1(5) . . ?
C12 C11 P1 126.4(4) . . ?
C11 C12 C13 110.8(6) . . ?
C11 C12 C14 109.1(6) . . ?
C13 C12 C14 110.7(7) . . ?
C11 C12 C15 110.3(6) . . ?
C13 C12 C15 108.7(7) . . ?
C14 C12 C15 107.1(7) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O1 C19 C18 108.9(6) . . ?
O1 C19 H19A 109.9 . . ?
C18 C19 H19A 109.9 . . ?
O1 C19 H19B 109.9 . . ?
C18 C19 H19B 109.9 . . ?
H19A C19 H19B 108.3 . . ?
O1 C16 C17 107.7(8) . . ?
O1 C16 H16A 110.2 . . ?
C17 C16 H16A 110.2 . . ?
O1 C16 H16B 110.2 . . ?
C17 C16 H16B 110.2 . . ?
H16A C16 H16B 108.5 . . ?
C16 C17 C18 102.5(10) . . ?
C16 C17 H17A 111.3 . . ?
C18 C17 H17A 111.3 . . ?
C16 C17 H17B 111.3 . . ?
C18 C17 H17B 111.3 . . ?
H17A C17 H17B 109.2 . . ?
C19 C18 C17 107.7(8) . . ?
C19 C18 H18A 110.2 . . ?
C17 C18 H18A 110.2 . . ?
C19 C18 H18B 110.2 . . ?
C17 C18 H18B 110.2 . . ?
H18A C18 H18B 108.5 . . ?
H17C C17' H17D 108.7 . . ?
N1 Er1 N1 173.5(2) 2 . ?
N1 Er1 N3 92.93(17) 2 . ?
N1 Er1 N3 93.24(18) . . ?
N1 Er1 N3 93.24(18) 2 2 ?
N1 Er1 N3 92.93(17) . 2 ?
N3 Er1 N3 34.1(2) . 2 ?
N1 Er1 O1 87.31(16) 2 . ?
N1 Er1 O1 91.07(16) . . ?
N3 Er1 O1 87.50(16) . . ?
N3 Er1 O1 121.63(16) 2 . ?
N1 Er1 O1 91.07(16) 2 2 ?
N1 Er1 O1 87.31(16) . 2 ?
N3 Er1 O1 121.63(16) . 2 ?
N3 Er1 O1 87.50(16) 2 2 ?
O1 Er1 O1 150.9(2) . 2 ?
N1 Er1 N2 33.82(14) 2 2 ?
N1 Er1 N2 139.74(18) . 2 ?
N3 Er1 N2 125.71(17) . 2 ?
N3 Er1 N2 124.44(17) 2 2 ?
O1 Er1 N2 81.93(15) . 2 ?
O1 Er1 N2 80.68(15) 2 2 ?
N1 Er1 N2 139.74(18) 2 . ?
N1 Er1 N2 33.82(14) . . ?
N3 Er1 N2 124.44(17) . . ?
N3 Er1 N2 125.71(17) 2 . ?
O1 Er1 N2 80.68(15) . . ?
O1 Er1 N2 81.93(15) 2 . ?
N2 Er1 N2 106.1(2) 2 . ?
C10 N1 N2 112.8(5) . . ?
C10 N1 Er1 171.6(4) . . ?
N2 N1 Er1 75.5(3) . . ?
C11 N2 N1 112.2(5) . . ?
C11 N2 Er1 175.0(4) . . ?
N1 N2 Er1 70.7(3) . . ?
C1 N3 N3 112.0(4) . 2 ?
C1 N3 Er1 175.1(4) . . ?
N3 N3 Er1 72.93(12) 2 . ?
C19 O1 C16 107.4(5) . . ?
C19 O1 Er1 128.2(4) . . ?
C16 O1 Er1 124.2(4) . . ?
C11 P1 C10 87.5(3) . . ?
C1 P2 C1 86.1(4) 2 . ?

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
N3 C1 C2 C3 177.6(13) . . . . ?
P2 C1 C2 C3 -3.1(15) . . . . ?
N3 C1 C2 C5 37.9(14) . . . . ?
P2 C1 C2 C5 -142.8(10) . . . . ?
N3 C1 C2 C5' 4.0(14) . . . . ?
P2 C1 C2 C5' -176.7(11) . . . . ?
N3 C1 C2 C3' -123.1(13) . . . . ?
P2 C1 C2 C3' 56.2(14) . . . . ?
N3 C1 C2 C4' 120.2(12) . . . . ?
P2 C1 C2 C4' -60.5(11) . . . . ?
N3 C1 C2 C4 -71.9(11) . . . . ?
P2 C1 C2 C4 107.4(10) . . . . ?
C6 C7 C10 N1 -49.5(10) . . . . ?
C9 C7 C10 N1 -173.6(7) . . . . ?
C8 C7 C10 N1 68.6(9) . . . . ?
C6 C7 C10 P1 132.3(8) . . . . ?
C9 C7 C10 P1 8.2(10) . . . . ?
C8 C7 C10 P1 -109.7(7) . . . . ?
N2 C11 C12 C13 47.2(8) . . . . ?
P1 C11 C12 C13 -134.5(6) . . . . ?
N2 C11 C12 C14 -74.9(8) . . . . ?
P1 C11 C12 C14 103.4(6) . . . . ?
N2 C11 C12 C15 167.7(6) . . . . ?
P1 C11 C12 C15 -14.1(9) . . . . ?
O1 C16 C17 C18 -21.3(16) . . . . ?
O1 C19 C18 C17 4.4(14) . . . . ?
C16 C17 C18 C19 10.3(17) . . . . ?
C7 C10 N1 N2 -174.4(5) . . . . ?
P1 C10 N1 N2 4.1(7) . . . . ?
N3 Er1 N1 N2 -159.0(3) . . . . ?
N3 Er1 N1 N2 166.8(3) 2 . . . ?
O1 Er1 N1 N2 -71.4(3) . . . . ?
O1 Er1 N1 N2 79.5(3) 2 . . . ?
N2 Er1 N1 N2 7.3(5) 2 . . . ?
C12 C11 N2 N1 -179.8(5) . . . . ?
P1 C11 N2 N1 1.7(6) . . . . ?
C10 N1 N2 C11 -3.7(7) . . . . ?
Er1 N1 N2 C11 175.7(5) . . . . ?
C10 N1 N2 Er1 -179.4(5) . . . . ?
N1 Er1 N2 N1 -179.32(6) 2 . . . ?
N3 Er1 N2 N1 25.8(4) . . . . ?
N3 Er1 N2 N1 -16.3(4) 2 . . . ?
O1 Er1 N2 N1 106.2(3) . . . . ?
O1 Er1 N2 N1 -97.3(3) 2 . . . ?
N2 Er1 N2 N1 -175.1(4) 2 . . . ?
C2 C1 N3 N3 179.6(7) . . . 2 ?
P2 C1 N3 N3 0.2(9) . . . 2 ?
N1 Er1 N3 N3 -90.4(4) . . . 2 ?
O1 Er1 N3 N3 178.6(4) . . . 2 ?
O1 Er1 N3 N3 -1.6(5) 2 . . 2 ?
N2 Er1 N3 N3 100.4(4) 2 . . 2 ?
N2 Er1 N3 N3 -104.5(4) . . . 2 ?
C18 C19 O1 C16 -18.2(10) . . . . ?
C18 C19 O1 Er1 166.3(6) . . . . ?
C17 C16 O1 C19 25.0(13) . . . . ?
C17 C16 O1 Er1 -159.2(10) . . . . ?
N1 Er1 O1 C19 -6.6(6) 2 . . . ?
N1 Er1 O1 C19 167.1(6) . . . . ?
N3 Er1 O1 C19 -99.7(6) . . . . ?
N3 Er1 O1 C19 -98.8(6) 2 . . . ?
O1 Er1 O1 C19 80.7(6) 2 . . . ?
N2 Er1 O1 C19 26.9(6) 2 . . . ?
N2 Er1 O1 C19 134.8(6) . . . . ?
N1 Er1 O1 C16 178.5(5) 2 . . . ?
N1 Er1 O1 C16 -7.7(5) . . . . ?
N3 Er1 O1 C16 85.5(5) . . . . ?
N3 Er1 O1 C16 86.4(5) 2 . . . ?
O1 Er1 O1 C16 -94.1(5) 2 . . . ?
N2 Er1 O1 C16 -147.9(5) 2 . . . ?
N2 Er1 O1 C16 -40.0(5) . . . . ?
N2 C11 P1 C10 0.5(5) . . . . ?
C12 C11 P1 C10 -177.9(6) . . . . ?
N1 C10 P1 C11 -2.6(5) . . . . ?
C7 C10 P1 C11 175.8(6) . . . . ?
N3 C1 P2 C1 -0.1(3) . . . 2 ?
C2 C1 P2 C1 -179.4(9) . . . 2 ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.333
_refine_diff_density_min         -1.372
_refine_diff_density_rms         0.138
####################################################################### 
# 
# 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_compound4
_database_code_depnum_ccdc_archive 'CCDC 1420191'
_audit_update_record             
;
2015-12-02 deposited with the CCDC.
2015-12-04 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2013
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C38 H70 Dy N6 O2 P3'
_chemical_formula_sum            'C38 H70 Dy N6 O2 P3'
_chemical_formula_weight         898.41
_chemical_melting_point          ?
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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   18.5609(6)
_cell_length_b                   12.7972(4)
_cell_length_c                   20.0361(6)
_cell_angle_alpha                90
_cell_angle_beta                 102.531(3)
_cell_angle_gamma                90
_cell_volume                     4645.8(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3625
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.208
_cell_measurement_theta_min      3.662
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.747
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6434
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1868
_exptl_crystal_size_max          0.171
_exptl_crystal_size_mid          0.154
_exptl_crystal_size_min          0.112
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0234
_diffrn_reflns_av_unetI/netI     0.0367
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            10733
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_min         3.025
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos, CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4130
_reflns_number_total             4560
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'Bruker SHELXTL'
_refine_diff_density_max         0.414
_refine_diff_density_min         -0.454
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         4560
_refine_ls_number_restraints     104
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0293
_refine_ls_restrained_S_all      1.112
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0341P)²+1.4107P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0667
_refine_ls_wR_factor_ref         0.0688
_refine_special_details          
;
 ? 
;
_olex2_refinement_description    
;
1. Others
 Fixed Sof: C13(0.6) H13A(0.6) H13B(0.6) H13C(0.6) C14(0.6) H14A(0.6)
 H14B(0.6) H14C(0.6) C15(0.6) H15A(0.6) H15B(0.6) H15C(0.6) C13'(0.4) H13D(0.4)
 H13E(0.4) H13F(0.4) C14'(0.4) H14D(0.4) H14E(0.4) H14F(0.4) C15'(0.4)
 H15D(0.4) H15E(0.4) H15F(0.4) C17(0.5) H17A(0.5) H17B(0.5) C18(0.6) H18A(0.6)
 H18B(0.6) C17'(0.5) H17C(0.5) H17D(0.5) C18'(0.4) H18C(0.4) H18D(0.4)
 Fixed U12: Dy1(0) P2(-0)
 Fixed U23: Dy1(0) P2(0)
 Fixed Uiso: H4A(0.115) H4B(0.115) H4C(0.115) H5A(0.129) H5B(0.129) H5C(0.129)
 H6A(0.123) H6B(0.123) H6C(0.123) H8A(0.198) H8B(0.198) H8C(0.198) H9A(0.224)
 H9B(0.224) H9C(0.224) H10A(0.169) H10B(0.169) H10C(0.169) H13A(0.183)
 H13B(0.183) H13C(0.183) H14A(0.183) H14B(0.183) H14C(0.183) H15A(0.146)
 H15B(0.146) H15C(0.146) H13D(0.178) H13E(0.178) H13F(0.178) H14D(0.156)
 H14E(0.156) H14F(0.156) H15D(0.16) H15E(0.16) H15F(0.16) H16A(0.084)
 H16B(0.084) H17A(0.095) H17B(0.095) H18A(0.09) H18B(0.09) H17C(0.089)
 H17D(0.089) H18C(0.093) H18D(0.093) H19A(0.09) H19B(0.09)
 Fixed X: Dy1(0.5) P2(0.5) H4A(0.3966) H4B(0.3368) H4C(0.3922) H5A(0.4326)
 H5B(0.4596) H5C(0.3761) H6A(0.5321) H6B(0.5522) H6C(0.5255) H8A(0.4689)
 H8B(0.4356) H8C(0.4098) H9A(0.2867) H9B(0.3268) H9C(0.267) H10A(0.3152)
 H10B(0.2927) H10C(0.37) H13A(0.3488) H13B(0.4332) H13C(0.3998) H14A(0.3322)
 H14B(0.3909) H14C(0.311) H15A(0.277) H15B(0.3336) H15C(0.2916) H13D(0.3432)
 H13E(0.4041) H13F(0.4252) H14D(0.2724) H14E(0.316) H14F(0.3435) H15D(0.3522)
 H15E(0.3318) H15F(0.281) H16A(0.6072) H16B(0.5872) H17A(0.6946) H17B(0.7211)
 H18A(0.7824) H18B(0.7492) H17C(0.7084) H17D(0.7054) H18C(0.7817) H18D(0.747)
 H19A(0.6798) H19B(0.6887)
 Fixed Y: H4A(0.7412) H4B(0.6611) H4C(0.6299) H5A(0.7587) H5B(0.661)
 H5C(0.672) H6A(0.603) H6B(0.6312) H6C(0.7188) H8A(0.1743) H8B(0.1279)
 H8C(0.0852) H9A(0.1271) H9B(0.1911) H9C(0.245) H10A(0.162) H10B(0.2789)
 H10C(0.252) H13A(0.0406) H13B(0.0219) H13C(0.1341) H14A(-0.098) H14B(-0.1159)
 H14C(-0.079) H15A(0.1058) H15B(0.1802) H15C(0.0949) H13D(-0.0551) H13E(-
 0.1059) H13F(-0.0167) H14D(-0.0382) H14E(0.0213) H14F(-0.0882) H15D(0.1665)
 H15E(0.1725) H15F(0.1105) H16A(0.3192) H16B(0.4409) H17A(0.5162) H17B(0.4215)
 H18A(0.4304) H18B(0.3191) H17C(0.306) H17D(0.4178) H18C(0.3845) H18D(0.4954)
 H19A(0.4754) H19B(0.3392)
 Fixed Z: Dy1(0.25) P2(0.25) H4A(0.2922) H4B(0.3044) H4C(0.2589) H5A(0.4189)
 H5B(0.4647) H5C(0.4287) H6A(0.3221) H6B(0.4001) H6C(0.3456) H8A(0.4404)
 H8B(0.3678) H8C(0.4321) H9A(0.3477) H9B(0.2997) H9C(0.3326) H10A(0.4717)
 H10B(0.4555) H10C(0.5018) H13A(0.0438) H13B(0.0732) H13C(0.0749) H14A(0.1841)
 H14B(0.1395) H14C(0.105) H15A(0.1156) H15B(0.1623) H15C(0.1954) H13D(0.0736)
 H13E(0.131) H13F(0.0851) H14D(0.1771) H14E(0.2417) H14F(0.2226) H15D(0.1024)
 H15E(0.1742) H15F(0.1145) H16A(0.4173) H16B(0.413) H17A(0.422) H17B(0.4722)
 H18A(0.3704) H18B(0.3816) H17C(0.4466) H17D(0.4791) H18C(0.3899) H18D(0.3972)
 H19A(0.2972) H19B(0.2786)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.5000 0.33111(2) 0.2500 0.03243(8) Uani 1 2 d S T P . .
P1 P 0.38144(5) 0.45025(8) 0.42468(4) 0.0546(2) Uani 1 1 d . . . . .
P2 P 0.5000 -0.04295(12) 0.2500 0.0878(6) Uani 1 2 d S T P . .
O1 O 0.61167(11) 0.37918(19) 0.32958(10) 0.0476(5) Uani 1 1 d . . . . .
N1 N 0.43102(14) 0.34192(19) 0.33594(13) 0.0406(6) Uani 1 1 d . . . . .
N2 N 0.44978(13) 0.4435(2) 0.32510(12) 0.0384(6) Uani 1 1 d . . . . .
N3 N 0.46719(14) 0.15242(18) 0.22565(14) 0.0443(6) Uani 1 1 d . . . . .
C1 C 0.39435(18) 0.3327(2) 0.38583(16) 0.0446(7) Uani 1 1 d . . . . .
C2 C 0.42751(15) 0.5098(3) 0.36753(14) 0.0405(7) Uani 1 1 d . . . . .
C3 C 0.4404(2) 0.6269(3) 0.36176(17) 0.0510(8) Uani 1 1 d . . . . .
C4 C 0.3865(3) 0.6687(3) 0.2984(2) 0.0764(12) Uani 1 1 d . . . . .
H4A H 0.3966 0.7412 0.2922 0.115 Uiso 1 1 calc R U . . .
H4B H 0.3368 0.6611 0.3044 0.115 Uiso 1 1 calc R U . . .
H4C H 0.3922 0.6299 0.2589 0.115 Uiso 1 1 calc R U . . .
C5 C 0.4258(3) 0.6851(3) 0.4243(2) 0.0857(14) Uani 1 1 d . . . . .
H5A H 0.4326 0.7587 0.4189 0.129 Uiso 1 1 calc R U . . .
H5B H 0.4596 0.6610 0.4647 0.129 Uiso 1 1 calc R U . . .
H5C H 0.3761 0.6720 0.4287 0.129 Uiso 1 1 calc R U . . .
C6 C 0.5199(2) 0.6468(3) 0.3569(3) 0.0823(14) Uani 1 1 d . . . . .
H6A H 0.5321 0.6030 0.3221 0.123 Uiso 1 1 calc R U . . .
H6B H 0.5522 0.6312 0.4001 0.123 Uiso 1 1 calc R U . . .
H6C H 0.5255 0.7188 0.3456 0.123 Uiso 1 1 calc R U . . .
C7 C 0.3656(2) 0.2258(3) 0.40104(18) 0.0585(9) Uani 1 1 d . . . . .
C8 C 0.4253(4) 0.1463(4) 0.4112(4) 0.132(3) Uani 1 1 d . U . . .
H8A H 0.4689 0.1743 0.4404 0.198 Uiso 1 1 calc R U . . .
H8B H 0.4356 0.1279 0.3678 0.198 Uiso 1 1 calc R U . . .
H8C H 0.4098 0.0852 0.4321 0.198 Uiso 1 1 calc R U . . .
C9 C 0.3060(4) 0.1943(5) 0.3396(3) 0.149(3) Uani 1 1 d . U . . .
H9A H 0.2867 0.1271 0.3477 0.224 Uiso 1 1 calc R U . . .
H9B H 0.3268 0.1911 0.2997 0.224 Uiso 1 1 calc R U . . .
H9C H 0.2670 0.2450 0.3326 0.224 Uiso 1 1 calc R U . . .
C10 C 0.3329(3) 0.2301(4) 0.4631(3) 0.113(2) Uani 1 1 d . U . . .
H10A H 0.3152 0.1620 0.4717 0.169 Uiso 1 1 calc R U . . .
H10B H 0.2927 0.2789 0.4555 0.169 Uiso 1 1 calc R U . . .
H10C H 0.3700 0.2520 0.5018 0.169 Uiso 1 1 calc R U . . .
C11 C 0.44359(18) 0.0552(3) 0.20858(19) 0.0556(9) Uani 1 1 d . . . . .
C12 C 0.3734(2) 0.0355(3) 0.1558(3) 0.0814(14) Uani 1 1 d D . . . .
C13 C 0.3907(5) 0.0607(9) 0.0787(4) 0.122(3) Uani 0.6 1 d D U P A 1
H13A H 0.3488 0.0406 0.0438 0.183 Uiso 0.6 1 calc R U P A 1
H13B H 0.4332 0.0219 0.0732 0.183 Uiso 0.6 1 calc R U P A 1
H13C H 0.3998 0.1341 0.0749 0.183 Uiso 0.6 1 calc R U P A 1
C14 C 0.3499(6) -0.0738(7) 0.1452(6) 0.122(3) Uani 0.6 1 d D U P A 1
H14A H 0.3322 -0.0980 0.1841 0.183 Uiso 0.6 1 calc R U P A 1
H14B H 0.3909 -0.1159 0.1395 0.183 Uiso 0.6 1 calc R U P A 1
H14C H 0.3110 -0.0790 0.1050 0.183 Uiso 0.6 1 calc R U P A 1
C15 C 0.3137(6) 0.1106(10) 0.1574(7) 0.097(4) Uani 0.6 1 d D U P A 1
H15A H 0.2770 0.1058 0.1156 0.146 Uiso 0.6 1 calc R U P A 1
H15B H 0.3336 0.1802 0.1623 0.146 Uiso 0.6 1 calc R U P A 1
H15C H 0.2916 0.0949 0.1954 0.146 Uiso 0.6 1 calc R U P A 1
C13' C 0.3877(8) -0.0421(13) 0.1073(8) 0.119(4) Uani 0.4 1 d D U P A 2
H13D H 0.3432 -0.0551 0.0736 0.178 Uiso 0.4 1 calc R U P A 2
H13E H 0.4041 -0.1059 0.1310 0.178 Uiso 0.4 1 calc R U P A 2
H13F H 0.4252 -0.0167 0.0851 0.178 Uiso 0.4 1 calc R U P A 2
C14' C 0.3205(6) -0.0239(11) 0.2047(6) 0.104(3) Uani 0.4 1 d D U P A 2
H14D H 0.2724 -0.0382 0.1771 0.156 Uiso 0.4 1 calc R U P A 2
H14E H 0.3160 0.0213 0.2417 0.156 Uiso 0.4 1 calc R U P A 2
H14F H 0.3435 -0.0882 0.2226 0.156 Uiso 0.4 1 calc R U P A 2
C15' C 0.3311(11) 0.1291(15) 0.1350(11) 0.106(5) Uani 0.4 1 d D U P A 2
H15D H 0.3522 0.1665 0.1024 0.160 Uiso 0.4 1 calc R U P A 2
H15E H 0.3318 0.1725 0.1742 0.160 Uiso 0.4 1 calc R U P A 2
H15F H 0.2810 0.1105 0.1145 0.160 Uiso 0.4 1 calc R U P A 2
C16 C 0.6181(2) 0.3878(4) 0.40271(17) 0.0702(11) Uani 1 1 d D . . . .
H16A H 0.6072 0.3192 0.4173 0.084 Uiso 1 1 d DR U . B .
H16B H 0.5872 0.4409 0.4130 0.084 Uiso 1 1 d DR U . . .
C17 C 0.6974(5) 0.4407(8) 0.4258(5) 0.079(2) Uani 0.5 1 d D U P B 1
H17A H 0.6946 0.5162 0.4220 0.095 Uiso 0.5 1 calc R U P B 1
H17B H 0.7211 0.4215 0.4722 0.095 Uiso 0.5 1 calc R U P B 1
C18 C 0.7378(6) 0.3925(8) 0.3728(5) 0.0749(19) Uani 0.6 1 d D U P B 1
H18A H 0.7824 0.4304 0.3704 0.090 Uiso 0.6 1 calc R U P B 1
H18B H 0.7492 0.3191 0.3816 0.090 Uiso 0.6 1 calc R U P B 1
C17' C 0.6951(5) 0.3786(8) 0.4367(5) 0.0739(19) Uani 0.5 1 d D U P B 2
H17C H 0.7084 0.3060 0.4466 0.089 Uiso 0.5 1 calc R U P B 2
H17D H 0.7054 0.4178 0.4791 0.089 Uiso 0.5 1 calc R U P B 2
C18' C 0.7359(10) 0.4222(14) 0.3877(7) 0.077(2) Uani 0.4 1 d D U P B 2
H18C H 0.7817 0.3845 0.3899 0.093 Uiso 0.4 1 calc R U P B 2
H18D H 0.7470 0.4954 0.3972 0.093 Uiso 0.4 1 calc R U P B 2
C19 C 0.6810(2) 0.4077(4) 0.3137(2) 0.0752(12) Uani 1 1 d D . . . .
H19A H 0.6798 0.4754 0.2972 0.090 Uiso 1 1 d DR U . B .
H19B H 0.6887 0.3392 0.2786 0.090 Uiso 1 1 d DR U . . .


_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
Dy1 O1 2.405(2) . ?
Dy1 O1 2.405(2) 2_655 ?
Dy1 N1 2.362(2) . ?
Dy1 N1 2.362(2) 2_655 ?
Dy1 N2 2.411(2) . ?
Dy1 N2 2.410(2) 2_655 ?
Dy1 N3 2.389(2) 2_655 ?
Dy1 N3 2.389(2) . ?
P1 C1 1.734(3) . ?
P1 C2 1.746(3) . ?
P2 C11 1.728(4) . ?
P2 C11 1.728(4) 2_655 ?
O1 C16 1.448(4) . ?
O1 C19 1.438(4) . ?
N1 N2 1.375(3) . ?
N1 C1 1.331(4) . ?
N2 C2 1.329(4) . ?
N3 N3 1.385(5) 2_655 ?
N3 C11 1.339(4) . ?
C1 C7 1.523(4) . ?
C2 C3 1.525(4) . ?
C3 C4 1.533(5) . ?
C3 C5 1.533(5) . ?
C3 C6 1.521(5) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C8 1.484(6) . ?
C7 C9 1.520(6) . ?
C7 C10 1.498(5) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.510(5) . ?
C12 C13 1.676(9) . ?
C12 C14 1.468(8) . ?
C12 C15 1.472(10) . ?
C12 C13' 1.455(12) . ?
C12 C14' 1.708(11) . ?
C12 C15' 1.444(16) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C13' H13D 0.9600 . ?
C13' H13E 0.9600 . ?
C13' H13F 0.9600 . ?
C14' H14D 0.9600 . ?
C14' H14E 0.9600 . ?
C14' H14F 0.9600 . ?
C15' H15D 0.9600 . ?
C15' H15E 0.9600 . ?
C15' H15F 0.9600 . ?
C16 H16A 0.9613 . ?
C16 H16B 0.9409 . ?
C16 C17 1.595(9) . ?
C16 C17' 1.449(9) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.554(12) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.419(11) . ?
C17' H17C 0.9700 . ?
C17' H17D 0.9700 . ?
C17' C18' 1.472(15) . ?
C18' H18C 0.9700 . ?
C18' H18D 0.9700 . ?
C18' C19 1.619(14) . ?
C19 H19A 0.9250 . ?
C19 H19B 1.1521 . ?

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
O1 Dy1 O1 150.36(12) . 2_655 ?
O1 Dy1 N2 80.09(8) 2_655 2_655 ?
O1 Dy1 N2 82.35(8) . 2_655 ?
O1 Dy1 N2 80.09(8) . . ?
O1 Dy1 N2 82.34(8) 2_655 . ?
N1 Dy1 O1 91.56(8) 2_655 2_655 ?
N1 Dy1 O1 91.56(8) . . ?
N1 Dy1 O1 86.72(8) 2_655 . ?
N1 Dy1 O1 86.72(8) . 2_655 ?
N1 Dy1 N1 173.29(12) . 2_655 ?
N1 Dy1 N2 33.48(7) . . ?
N1 Dy1 N2 33.48(7) 2_655 2_655 ?
N1 Dy1 N2 139.84(9) . 2_655 ?
N1 Dy1 N2 139.84(9) 2_655 . ?
N1 Dy1 N3 92.89(9) . . ?
N1 Dy1 N3 92.89(9) 2_655 2_655 ?
N1 Dy1 N3 93.53(9) 2_655 . ?
N1 Dy1 N3 93.53(9) . 2_655 ?
N2 Dy1 N2 106.73(11) 2_655 . ?
N3 Dy1 O1 121.67(8) . . ?
N3 Dy1 O1 87.97(8) . 2_655 ?
N3 Dy1 O1 87.97(8) 2_655 . ?
N3 Dy1 O1 121.67(8) 2_655 2_655 ?
N3 Dy1 N2 124.03(9) . 2_655 ?
N3 Dy1 N2 125.64(9) . . ?
N3 Dy1 N2 125.64(9) 2_655 2_655 ?
N3 Dy1 N2 124.03(9) 2_655 . ?
N3 Dy1 N3 33.71(12) . 2_655 ?
C1 P1 C2 87.10(15) . . ?
C11 P2 C11 86.8(2) . 2_655 ?
C16 O1 Dy1 124.1(2) . . ?
C19 O1 Dy1 127.0(2) . . ?
C19 O1 C16 108.9(3) . . ?
N2 N1 Dy1 75.19(14) . . ?
C1 N1 Dy1 171.3(2) . . ?
C1 N1 N2 113.0(2) . . ?
N1 N2 Dy1 71.33(15) . . ?
C2 N2 Dy1 175.1(2) . . ?
C2 N2 N1 112.2(2) . . ?
N3 N3 Dy1 73.15(6) 2_655 . ?
C11 N3 Dy1 175.2(2) . . ?
C11 N3 N3 111.64(18) . 2_655 ?
N1 C1 P1 113.8(2) . . ?
N1 C1 C7 119.2(3) . . ?
C7 C1 P1 126.9(2) . . ?
N2 C2 P1 113.9(2) . . ?
N2 C2 C3 120.2(3) . . ?
C3 C2 P1 125.9(2) . . ?
C2 C3 C4 108.7(3) . . ?
C2 C3 C5 110.9(3) . . ?
C5 C3 C4 108.0(3) . . ?
C6 C3 C2 109.9(3) . . ?
C6 C3 C4 110.9(4) . . ?
C6 C3 C5 108.4(3) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 C1 111.1(3) . . ?
C8 C7 C9 108.7(5) . . ?
C8 C7 C10 109.6(4) . . ?
C9 C7 C1 107.5(3) . . ?
C10 C7 C1 110.8(3) . . ?
C10 C7 C9 109.1(4) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N3 C11 P2 115.0(2) . . ?
N3 C11 C12 121.2(3) . . ?
C12 C11 P2 123.8(3) . . ?
C11 C12 C13 107.8(4) . . ?
C11 C12 C14' 100.9(5) . . ?
C14 C12 C11 116.4(5) . . ?
C14 C12 C13 99.2(7) . . ?
C14 C12 C15 115.1(7) . . ?
C15 C12 C11 114.5(6) . . ?
C15 C12 C13 101.0(7) . . ?
C13' C12 C11 109.1(6) . . ?
C13' C12 C14' 106.9(9) . . ?
C15' C12 C11 113.4(9) . . ?
C15' C12 C13' 122.7(11) . . ?
C15' C12 C14' 101.0(10) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C13' H13D 109.5 . . ?
C12 C13' H13E 109.5 . . ?
C12 C13' H13F 109.5 . . ?
H13D C13' H13E 109.5 . . ?
H13D C13' H13F 109.5 . . ?
H13E C13' H13F 109.5 . . ?
C12 C14' H14D 109.5 . . ?
C12 C14' H14E 109.5 . . ?
C12 C14' H14F 109.5 . . ?
H14D C14' H14E 109.5 . . ?
H14D C14' H14F 109.5 . . ?
H14E C14' H14F 109.5 . . ?
C12 C15' H15D 109.5 . . ?
C12 C15' H15E 109.5 . . ?
C12 C15' H15F 109.5 . . ?
H15D C15' H15E 109.5 . . ?
H15D C15' H15F 109.5 . . ?
H15E C15' H15F 109.5 . . ?
O1 C16 H16A 105.1 . . ?
O1 C16 H16B 110.9 . . ?
O1 C16 C17 101.2(4) . . ?
O1 C16 C17' 109.0(5) . . ?
H16A C16 H16B 114.5 . . ?
C17 C16 H16A 122.8 . . ?
C17 C16 H16B 101.5 . . ?
C17' C16 H16A 91.9 . . ?
C17' C16 H16B 122.9 . . ?
C16 C17 H17A 111.6 . . ?
C16 C17 H17B 111.6 . . ?
H17A C17 H17B 109.4 . . ?
C18 C17 C16 100.7(6) . . ?
C18 C17 H17A 111.6 . . ?
C18 C17 H17B 111.6 . . ?
C17 C18 H18A 112.2 . . ?
C17 C18 H18B 112.2 . . ?
H18A C18 H18B 109.8 . . ?
C19 C18 C17 97.7(8) . . ?
C19 C18 H18A 112.2 . . ?
C19 C18 H18B 112.2 . . ?
C16 C17' H17C 110.8 . . ?
C16 C17' H17D 110.8 . . ?
C16 C17' C18' 104.7(9) . . ?
H17C C17' H17D 108.9 . . ?
C18' C17' H17C 110.8 . . ?
C18' C17' H17D 110.8 . . ?
C17' C18' H18C 110.8 . . ?
C17' C18' H18D 110.8 . . ?
C17' C18' C19 104.8(10) . . ?
H18C C18' H18D 108.9 . . ?
C19 C18' H18C 110.8 . . ?
C19 C18' H18D 110.8 . . ?
O1 C19 C18' 104.0(6) . . ?
O1 C19 H19A 111.3 . . ?
O1 C19 H19B 100.3 . . ?
C18 C19 O1 108.6(5) . . ?
C18 C19 H19A 112.5 . . ?
C18 C19 H19B 103.7 . . ?
C18' C19 H19A 100.4 . . ?
C18' C19 H19B 120.6 . . ?
H19A C19 H19B 119.4 . . ?

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
Dy1 O1 C16 C17 -170.2(4) . . . . ?
Dy1 O1 C16 C17' 158.5(5) . . . . ?
Dy1 O1 C19 C18 -158.6(5) . . . . ?
Dy1 O1 C19 C18' -175.6(7) . . . . ?
Dy1 N1 N2 C2 -176.4(2) . . . . ?
P1 C1 C7 C8 -130.8(4) . . . . ?
P1 C1 C7 C9 110.4(4) . . . . ?
P1 C1 C7 C10 -8.8(5) . . . . ?
P1 C2 C3 C4 -103.8(3) . . . . ?
P1 C2 C3 C5 14.7(4) . . . . ?
P1 C2 C3 C6 134.6(3) . . . . ?
P2 C11 C12 C13 -104.3(5) . . . . ?
P2 C11 C12 C14 6.0(8) . . . . ?
P2 C11 C12 C15 144.2(6) . . . . ?
P2 C11 C12 C13' -46.9(10) . . . . ?
P2 C11 C12 C14' 65.4(6) . . . . ?
P2 C11 C12 C15' 172.5(10) . . . . ?
O1 C16 C17 C18 -32.7(8) . . . . ?
O1 C16 C17' C18' 30.8(11) . . . . ?
N1 N2 C2 P1 0.2(3) . . . . ?
N1 N2 C2 C3 -177.6(3) . . . . ?
N1 C1 C7 C8 52.2(5) . . . . ?
N1 C1 C7 C9 -66.6(5) . . . . ?
N1 C1 C7 C10 174.3(4) . . . . ?
N2 N1 C1 P1 -1.1(3) . . . . ?
N2 N1 C1 C7 176.3(3) . . . . ?
N2 C2 C3 C4 73.7(4) . . . . ?
N2 C2 C3 C5 -167.8(3) . . . . ?
N2 C2 C3 C6 -47.9(4) . . . . ?
N3 N3 C11 P2 -0.6(5) 2_655 . . . ?
N3 N3 C11 C12 -179.4(4) 2_655 . . . ?
N3 C11 C12 C13 74.4(6) . . . . ?
N3 C11 C12 C14 -175.3(7) . . . . ?
N3 C11 C12 C15 -37.0(8) . . . . ?
N3 C11 C12 C13' 131.9(9) . . . . ?
N3 C11 C12 C14' -115.9(6) . . . . ?
N3 C11 C12 C15' -8.7(11) . . . . ?
C1 P1 C2 N2 -0.6(2) . . . . ?
C1 P1 C2 C3 177.0(3) . . . . ?
C1 N1 N2 Dy1 177.0(3) . . . . ?
C1 N1 N2 C2 0.6(4) . . . . ?
C2 P1 C1 N1 0.9(2) . . . . ?
C2 P1 C1 C7 -176.2(3) . . . . ?
C11 P2 C11 N3 0.21(17) 2_655 . . . ?
C11 P2 C11 C12 179.0(4) 2_655 . . . ?
C16 O1 C19 C18 23.8(6) . . . . ?
C16 O1 C19 C18' 6.7(8) . . . . ?
C16 C17 C18 C19 45.6(8) . . . . ?
C16 C17' C18' C19 -25.1(14) . . . . ?
C17 C16 C17' C18' -49.3(10) . . . . ?
C17 C18 C19 O1 -43.5(8) . . . . ?
C17 C18 C19 C18' 33(3) . . . . ?
C17' C16 C17 C18 75.6(13) . . . . ?
C17' C18' C19 O1 11.6(13) . . . . ?
C17' C18' C19 C18 -96(3) . . . . ?
C19 O1 C16 C17 7.6(6) . . . . ?
C19 O1 C16 C17' -23.7(6) . . . . ?

####################################################################### 
# 
# 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_compound5
_database_code_depnum_ccdc_archive 'CCDC 1420192'
_audit_update_record             
;
2015-12-02 deposited with the CCDC.
2015-12-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H72 N8 P4 Y, (C24 H48 K O6)'
_chemical_formula_sum            'C64 H120 K N8 O6 P4 Y'
_chemical_formula_weight         1349.56

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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   15.7119(14)
_cell_length_b                   19.192(2)
_cell_length_c                   27.436(2)
_cell_angle_alpha                90
_cell_angle_beta                 92.394(7)
_cell_angle_gamma                90
_cell_volume                     8265.8(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6877
_cell_measurement_theta_min      3.260
_cell_measurement_theta_max      24.138

_exptl_crystal_description       prismatic
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.084
_exptl_crystal_F_000             2904
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.211
_exptl_crystal_size_mid          0.156
_exptl_crystal_size_min          0.123
_exptl_absorpt_coefficient_mu    0.878
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5739
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Eos, CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            44716
_diffrn_reflns_av_unetI/netI     0.1197
_diffrn_reflns_av_R_equivalents  0.0762
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.928
_diffrn_reflns_theta_max         25.050
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             14614
_reflns_number_gt                6594
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker FRAMBO'
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
; 
 w=1/[σ²(Fo²)+(0.1010P)²] 
 where P=(Fo²+2Fc²)/3 
;
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14614
_refine_ls_number_parameters     1142
_refine_ls_number_restraints     496
_refine_ls_R_factor_all          0.1801
_refine_ls_R_factor_gt           0.0835
_refine_ls_wR_factor_ref         0.2395
_refine_ls_wR_factor_gt          0.2032
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_restrained_S_all      0.994
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
K1 K 0.71833(11) 0.25895(9) 0.93606(6) 0.1156(6) Uani 1 1 d . . . . .
Y1 Y 0.22041(3) 0.24582(3) 0.18798(2) 0.0637(2) Uani 1 1 d . . . . .
N1 N 0.2126(3) 0.3329(2) 0.12631(15) 0.0783(13) Uani 1 1 d . . . . .
N2 N 0.2950(3) 0.3338(2) 0.14588(15) 0.0758(12) Uani 1 1 d . . . . .
N3 N 0.3377(3) 0.1686(3) 0.18418(16) 0.0800(13) Uani 1 1 d . . . . .
N4 N 0.2968(3) 0.1680(2) 0.13864(16) 0.0748(12) Uani 1 1 d . . . . .
N5 N 0.2465(3) 0.2829(2) 0.27021(14) 0.0655(11) Uani 1 1 d . . . . .
N6 N 0.2123(3) 0.2176(2) 0.27128(14) 0.0662(11) Uani 1 1 d . . . . .
N7 N 0.0729(3) 0.2605(2) 0.19522(15) 0.0730(12) Uani 1 1 d . . . . .
N8 N 0.0814(3) 0.1971(3) 0.17342(15) 0.0718(12) Uani 1 1 d . . . . .
P1 P 0.29751(13) 0.41192(11) 0.06969(6) 0.1064(6) Uani 1 1 d . . . . .
P2 P 0.43382(13) 0.09597(11) 0.12984(7) 0.1142(7) Uani 1 1 d . . . . .
P3 P 0.22345(13) 0.25657(10) 0.36132(6) 0.0981(6) Uani 1 1 d . . . . .
P4 P -0.07875(11) 0.21069(12) 0.18545(7) 0.1077(6) Uani 1 1 d . . . . .
C1 C 0.3472(4) 0.3733(3) 0.1202(2) 0.0825(17) Uani 1 1 d . . . . .
C2 C 0.2020(4) 0.3717(3) 0.0864(2) 0.0858(18) Uani 1 1 d . . . . .
C3 C 0.1180(5) 0.3771(4) 0.0587(2) 0.105(2) Uani 1 1 d . . . . .
C4 C 0.1325(6) 0.3716(6) 0.0031(2) 0.180(4) Uani 1 1 d . . . . .
H4A H 0.1717 0.4071 -0.0062 0.270 Uiso 1 1 calc R U . . .
H4B H 0.0793 0.3777 -0.0148 0.270 Uiso 1 1 calc R U . . .
H4C H 0.1555 0.3266 -0.0041 0.270 Uiso 1 1 calc R U . . .
C5 C 0.0770(6) 0.4481(4) 0.0701(3) 0.172(4) Uani 1 1 d . . . . .
H5A H 0.0592 0.4482 0.1031 0.258 Uiso 1 1 calc R U . . .
H5B H 0.0284 0.4555 0.0483 0.258 Uiso 1 1 calc R U . . .
H5C H 0.1177 0.4846 0.0659 0.258 Uiso 1 1 calc R U . . .
C6 C 0.0570(5) 0.3179(4) 0.0730(2) 0.135(3) Uani 1 1 d . . . . .
H6A H 0.0814 0.2738 0.0649 0.202 Uiso 1 1 calc R U . . .
H6B H 0.0033 0.3234 0.0554 0.202 Uiso 1 1 calc R U . . .
H6C H 0.0486 0.3198 0.1074 0.202 Uiso 1 1 calc R U . . .
C7 C 0.4399(4) 0.3746(4) 0.1352(2) 0.099(2) Uani 1 1 d D U . . .
C8 C 0.4512(7) 0.3788(8) 0.1922(4) 0.142(4) Uani 0.778(6) 1 d D U P A 1
H8A H 0.4264 0.4212 0.2034 0.212 Uiso 0.778(6) 1 calc R U P A 1
H8B H 0.5108 0.3779 0.2015 0.212 Uiso 0.778(6) 1 calc R U P A 1
H8C H 0.4234 0.3397 0.2065 0.212 Uiso 0.778(6) 1 calc R U P A 1
C9 C 0.4830(6) 0.3091(6) 0.1174(5) 0.135(4) Uani 0.778(6) 1 d D U P A 1
H9A H 0.4589 0.2691 0.1326 0.202 Uiso 0.778(6) 1 calc R U P A 1
H9B H 0.5429 0.3114 0.1256 0.202 Uiso 0.778(6) 1 calc R U P A 1
H9C H 0.4744 0.3056 0.0826 0.202 Uiso 0.778(6) 1 calc R U P A 1
C10 C 0.4826(7) 0.4394(6) 0.1152(5) 0.155(5) Uani 0.778(6) 1 d D U P A 1
H10A H 0.4678 0.4439 0.0810 0.233 Uiso 0.778(6) 1 calc R U P A 1
H10B H 0.5433 0.4352 0.1198 0.233 Uiso 0.778(6) 1 calc R U P A 1
H10C H 0.4635 0.4798 0.1322 0.233 Uiso 0.778(6) 1 calc R U P A 1
C8' C 0.457(2) 0.4366(15) 0.1684(14) 0.140(14) Uani 0.222(6) 1 d D U P A 2
H8'1 H 0.4487 0.4789 0.1502 0.209 Uiso 0.222(6) 1 calc R U P A 2
H8'2 H 0.5152 0.4346 0.1811 0.209 Uiso 0.222(6) 1 calc R U P A 2
H8'3 H 0.4194 0.4354 0.1949 0.209 Uiso 0.222(6) 1 calc R U P A 2
C9' C 0.469(2) 0.3197(16) 0.1724(13) 0.127(11) Uani 0.222(6) 1 d D U P A 2
H9'1 H 0.4203 0.2979 0.1858 0.190 Uiso 0.222(6) 1 calc R U P A 2
H9'2 H 0.5028 0.3415 0.1982 0.190 Uiso 0.222(6) 1 calc R U P A 2
H9'3 H 0.5028 0.2852 0.1568 0.190 Uiso 0.222(6) 1 calc R U P A 2
C10' C 0.488(3) 0.379(3) 0.0870(11) 0.161(16) Uani 0.222(6) 1 d D U P A 2
H10D H 0.4596 0.3495 0.0629 0.242 Uiso 0.222(6) 1 calc R U P A 2
H10E H 0.5453 0.3630 0.0927 0.242 Uiso 0.222(6) 1 calc R U P A 2
H10F H 0.4879 0.4259 0.0756 0.242 Uiso 0.222(6) 1 calc R U P A 2
C11 C 0.4100(4) 0.1327(3) 0.1858(2) 0.0903(18) Uani 1 1 d . . . . .
C12 C 0.3392(4) 0.1336(3) 0.1061(2) 0.0866(18) Uani 1 1 d . . . . .
C13 C 0.3069(5) 0.1294(4) 0.0537(3) 0.112(2) Uani 1 1 d D U . . .
C14 C 0.3791(7) 0.1278(9) 0.0178(4) 0.163(5) Uani 0.778(6) 1 d D U P A 1
H14A H 0.4120 0.1698 0.0211 0.244 Uiso 0.778(6) 1 calc R U P A 1
H14B H 0.3554 0.1243 -0.0149 0.244 Uiso 0.778(6) 1 calc R U P A 1
H14C H 0.4151 0.0884 0.0248 0.244 Uiso 0.778(6) 1 calc R U P A 1
C15 C 0.2534(10) 0.1941(7) 0.0399(4) 0.157(5) Uani 0.778(6) 1 d D U P A 1
H15A H 0.2091 0.1997 0.0626 0.236 Uiso 0.778(6) 1 calc R U P A 1
H15B H 0.2285 0.1885 0.0076 0.236 Uiso 0.778(6) 1 calc R U P A 1
H15C H 0.2893 0.2346 0.0408 0.236 Uiso 0.778(6) 1 calc R U P A 1
C16 C 0.2524(7) 0.0649(6) 0.0452(4) 0.148(4) Uani 0.778(6) 1 d D U P A 1
H16A H 0.2834 0.0245 0.0566 0.222 Uiso 0.778(6) 1 calc R U P A 1
H16B H 0.2384 0.0601 0.0110 0.222 Uiso 0.778(6) 1 calc R U P A 1
H16C H 0.2010 0.0693 0.0627 0.222 Uiso 0.778(6) 1 calc R U P A 1
C14' C 0.333(2) 0.1970(16) 0.0284(14) 0.133(14) Uani 0.222(6) 1 d D U P A 2
H14D H 0.3129 0.2363 0.0461 0.200 Uiso 0.222(6) 1 calc R U P A 2
H14E H 0.3094 0.1978 -0.0044 0.200 Uiso 0.222(6) 1 calc R U P A 2
H14F H 0.3944 0.1991 0.0277 0.200 Uiso 0.222(6) 1 calc R U P A 2
C15' C 0.2125(12) 0.146(2) 0.0493(13) 0.122(5) Uani 0.222(6) 1 d D U P A 2
H15D H 0.1807 0.1076 0.0619 0.184 Uiso 0.222(6) 1 calc R U P A 2
H15E H 0.1957 0.1532 0.0157 0.184 Uiso 0.222(6) 1 calc R U P A 2
H15F H 0.2012 0.1872 0.0677 0.184 Uiso 0.222(6) 1 calc R U P A 2
C16' C 0.361(2) 0.0704(17) 0.0290(12) 0.119(5) Uani 0.222(6) 1 d D U P A 2
H16D H 0.4196 0.0845 0.0288 0.178 Uiso 0.222(6) 1 calc R U P A 2
H16E H 0.3396 0.0631 -0.0038 0.178 Uiso 0.222(6) 1 calc R U P A 2
H16F H 0.3565 0.0279 0.0472 0.178 Uiso 0.222(6) 1 calc R U P A 2
C17 C 0.4630(5) 0.1277(4) 0.2330(3) 0.117(2) Uani 1 1 d D U . . .
C18 C 0.482(2) 0.1979(11) 0.2536(12) 0.167(13) Uani 0.384(16) 1 d D U P B 1
H18A H 0.5278 0.1943 0.2778 0.250 Uiso 0.384(16) 1 calc R U P B 1
H18B H 0.4323 0.2159 0.2684 0.250 Uiso 0.384(16) 1 calc R U P B 1
H18C H 0.4984 0.2286 0.2281 0.250 Uiso 0.384(16) 1 calc R U P B 1
C19 C 0.4068(15) 0.0846(14) 0.2695(8) 0.157(11) Uani 0.384(16) 1 d D U P B 1
H19A H 0.4415 0.0711 0.2976 0.235 Uiso 0.384(16) 1 calc R U P B 1
H19B H 0.3847 0.0437 0.2533 0.235 Uiso 0.384(16) 1 calc R U P B 1
H19C H 0.3605 0.1130 0.2796 0.235 Uiso 0.384(16) 1 calc R U P B 1
C20 C 0.5417(13) 0.0837(15) 0.2233(8) 0.142(10) Uani 0.384(16) 1 d D U P B 1
H20A H 0.5739 0.1057 0.1986 0.213 Uiso 0.384(16) 1 calc R U P B 1
H20B H 0.5242 0.0382 0.2124 0.213 Uiso 0.384(16) 1 calc R U P B 1
H20C H 0.5764 0.0796 0.2528 0.213 Uiso 0.384(16) 1 calc R U P B 1
C18' C 0.4364(9) 0.1805(7) 0.2707(5) 0.111(5) Uani 0.616(16) 1 d D U P B 2
H18D H 0.3821 0.1675 0.2827 0.166 Uiso 0.616(16) 1 calc R U P B 2
H18E H 0.4321 0.2258 0.2559 0.166 Uiso 0.616(16) 1 calc R U P B 2
H18F H 0.4781 0.1817 0.2972 0.166 Uiso 0.616(16) 1 calc R U P B 2
C19' C 0.4686(16) 0.0575(7) 0.2534(7) 0.181(8) Uani 0.616(16) 1 d D U P B 2
H19D H 0.5058 0.0578 0.2821 0.271 Uiso 0.616(16) 1 calc R U P B 2
H19E H 0.4907 0.0263 0.2297 0.271 Uiso 0.616(16) 1 calc R U P B 2
H19F H 0.4129 0.0423 0.2619 0.271 Uiso 0.616(16) 1 calc R U P B 2
C20' C 0.5545(9) 0.1578(13) 0.2245(6) 0.190(9) Uani 0.616(16) 1 d D U P B 2
H20D H 0.5889 0.1540 0.2541 0.285 Uiso 0.616(16) 1 calc R U P B 2
H20E H 0.5499 0.2059 0.2152 0.285 Uiso 0.616(16) 1 calc R U P B 2
H20F H 0.5803 0.1319 0.1991 0.285 Uiso 0.616(16) 1 calc R U P B 2
C21 C 0.2542(4) 0.3111(3) 0.31492(19) 0.0761(15) Uani 1 1 d . . . . .
C22 C 0.1964(4) 0.1963(3) 0.31626(19) 0.0799(16) Uani 1 1 d . . . . .
C23 C 0.1557(5) 0.1249(4) 0.3225(2) 0.0954(19) Uani 1 1 d D U . . .
C24 C 0.2074(9) 0.0699(5) 0.2963(5) 0.170(5) Uani 0.778(6) 1 d D U P A 1
H24A H 0.2640 0.0680 0.3107 0.255 Uiso 0.778(6) 1 calc R U P A 1
H24B H 0.2099 0.0818 0.2624 0.255 Uiso 0.778(6) 1 calc R U P A 1
H24C H 0.1806 0.0252 0.2993 0.255 Uiso 0.778(6) 1 calc R U P A 1
C25 C 0.0675(7) 0.1251(6) 0.2997(5) 0.138(4) Uani 0.778(6) 1 d D U P A 1
H25A H 0.0408 0.0810 0.3054 0.208 Uiso 0.778(6) 1 calc R U P A 1
H25B H 0.0703 0.1326 0.2652 0.208 Uiso 0.778(6) 1 calc R U P A 1
H25C H 0.0349 0.1617 0.3137 0.208 Uiso 0.778(6) 1 calc R U P A 1
C26 C 0.1508(10) 0.1053(7) 0.3754(3) 0.166(5) Uani 0.778(6) 1 d D U P A 1
H26A H 0.1094 0.1342 0.3904 0.248 Uiso 0.778(6) 1 calc R U P A 1
H26B H 0.2055 0.1121 0.3916 0.248 Uiso 0.778(6) 1 calc R U P A 1
H26C H 0.1344 0.0573 0.3779 0.248 Uiso 0.778(6) 1 calc R U P A 1
C24' C 0.131(3) 0.0899(19) 0.2729(9) 0.121(12) Uani 0.222(6) 1 d D U P A 2
H24D H 0.0974 0.1217 0.2531 0.181 Uiso 0.222(6) 1 calc R U P A 2
H24E H 0.0981 0.0486 0.2786 0.181 Uiso 0.222(6) 1 calc R U P A 2
H24F H 0.1814 0.0777 0.2565 0.181 Uiso 0.222(6) 1 calc R U P A 2
C25' C 0.0699(16) 0.1404(17) 0.3485(15) 0.116(11) Uani 0.222(6) 1 d D U P A 2
H25D H 0.0824 0.1628 0.3793 0.173 Uiso 0.222(6) 1 calc R U P A 2
H25E H 0.0404 0.0974 0.3539 0.173 Uiso 0.222(6) 1 calc R U P A 2
H25F H 0.0346 0.1703 0.3283 0.173 Uiso 0.222(6) 1 calc R U P A 2
C26' C 0.2149(18) 0.0839(14) 0.3610(9) 0.083(8) Uani 0.222(6) 1 d D U P A 2
H26D H 0.2703 0.0779 0.3482 0.124 Uiso 0.222(6) 1 calc R U P A 2
H26E H 0.1903 0.0392 0.3672 0.124 Uiso 0.222(6) 1 calc R U P A 2
H26F H 0.2198 0.1100 0.3908 0.124 Uiso 0.222(6) 1 calc R U P A 2
C27 C 0.2930(5) 0.3832(3) 0.3210(2) 0.095(2) Uani 1 1 d . . . . .
C28 C 0.2613(7) 0.4157(5) 0.3682(3) 0.191(5) Uani 1 1 d . . . . .
H28A H 0.2004 0.4207 0.3656 0.286 Uiso 1 1 calc R U . . .
H28B H 0.2870 0.4606 0.3732 0.286 Uiso 1 1 calc R U . . .
H28C H 0.2765 0.3860 0.3954 0.286 Uiso 1 1 calc R U . . .
C29 C 0.3881(6) 0.3767(4) 0.3270(4) 0.171(4) Uani 1 1 d . . . . .
H29A H 0.4022 0.3354 0.3454 0.257 Uiso 1 1 calc R U . . .
H29B H 0.4108 0.4168 0.3439 0.257 Uiso 1 1 calc R U . . .
H29C H 0.4122 0.3736 0.2954 0.257 Uiso 1 1 calc R U . . .
C30 C 0.2688(6) 0.4312(4) 0.2782(3) 0.152(3) Uani 1 1 d . . . . .
H30A H 0.2850 0.4100 0.2483 0.228 Uiso 1 1 calc R U . . .
H30B H 0.2978 0.4750 0.2824 0.228 Uiso 1 1 calc R U . . .
H30C H 0.2084 0.4389 0.2771 0.228 Uiso 1 1 calc R U . . .
C31 C -0.0064(4) 0.2759(3) 0.2041(2) 0.0806(16) Uani 1 1 d . . . . .
C32 C 0.0086(4) 0.1644(3) 0.1656(2) 0.0824(17) Uani 1 1 d . . . . .
C33 C 0.0067(4) 0.0936(4) 0.1415(2) 0.0951(19) Uani 1 1 d . . . . .
C34 C -0.0025(6) 0.1028(5) 0.0864(3) 0.167(4) Uani 1 1 d . . . . .
H34A H -0.0568 0.1234 0.0779 0.251 Uiso 1 1 calc R U . . .
H34B H 0.0015 0.0582 0.0708 0.251 Uiso 1 1 calc R U . . .
H34C H 0.0421 0.1326 0.0756 0.251 Uiso 1 1 calc R U . . .
C35 C -0.0656(6) 0.0501(4) 0.1598(4) 0.183(4) Uani 1 1 d . . . . .
H35A H -0.1190 0.0701 0.1488 0.275 Uiso 1 1 calc R U . . .
H35B H -0.0622 0.0489 0.1948 0.275 Uiso 1 1 calc R U . . .
H35C H -0.0615 0.0035 0.1473 0.275 Uiso 1 1 calc R U . . .
C36 C 0.0894(6) 0.0523(4) 0.1542(3) 0.144(3) Uani 1 1 d . . . . .
H36A H 0.0886 0.0092 0.1363 0.216 Uiso 1 1 calc R U . . .
H36B H 0.0930 0.0426 0.1885 0.216 Uiso 1 1 calc R U . . .
H36C H 0.1378 0.0794 0.1455 0.216 Uiso 1 1 calc R U . . .
C37 C -0.0243(4) 0.3424(4) 0.2314(3) 0.103(2) Uani 1 1 d . . . . .
C38 C 0.0261(6) 0.4023(4) 0.2134(4) 0.179(4) Uani 1 1 d . . . . .
H38A H 0.0853 0.3953 0.2220 0.269 Uiso 1 1 calc R U . . .
H38B H 0.0069 0.4446 0.2280 0.269 Uiso 1 1 calc R U . . .
H38C H 0.0186 0.4055 0.1786 0.269 Uiso 1 1 calc R U . . .
C39 C -0.1185(6) 0.3619(5) 0.2247(4) 0.215(5) Uani 1 1 d . . . . .
H39A H -0.1326 0.3690 0.1907 0.323 Uiso 1 1 calc R U . . .
H39B H -0.1291 0.4040 0.2423 0.323 Uiso 1 1 calc R U . . .
H39C H -0.1530 0.3250 0.2369 0.323 Uiso 1 1 calc R U . . .
C40 C -0.0030(8) 0.3324(5) 0.2848(3) 0.208(5) Uani 1 1 d . . . . .
H40A H -0.0201 0.2866 0.2945 0.311 Uiso 1 1 calc R U . . .
H40B H -0.0325 0.3667 0.3032 0.311 Uiso 1 1 calc R U . . .
H40C H 0.0573 0.3376 0.2908 0.311 Uiso 1 1 calc R U . . .
O3 O 0.8786(5) 0.2049(5) 0.9403(3) 0.188(3) Uani 1 1 d D . . . .
O5 O 0.6821(6) 0.1598(5) 0.8698(3) 0.201(3) Uani 1 1 d D . . . .
O6 O 0.6812(7) 0.1765(5) 1.0125(3) 0.225(4) Uani 1 1 d D . . . .
O1 O 0.5610(10) 0.3091(8) 0.9278(9) 0.167(5) Uani 0.689(17) 1 d D . P C 1
O2 O 0.7732(17) 0.3428(12) 0.8620(5) 0.140(10) Uani 0.421(10) 1 d D . P C 1
O4 O 0.787(2) 0.350(2) 1.0157(11) 0.30(2) Uani 0.421(10) 1 d D U P C 1
C41 C 0.4943(11) 0.2779(10) 0.9510(7) 0.182(5) Uani 0.689(17) 1 d D U P C 1
H41A H 0.5095 0.2721 0.9853 0.218 Uiso 0.689(17) 1 calc R U P C 1
H41B H 0.4834 0.2321 0.9370 0.218 Uiso 0.689(17) 1 calc R U P C 1
C42 C 0.4164(11) 0.3211(8) 0.9453(6) 0.179(5) Uani 0.689(17) 1 d D U P C 1
H42A H 0.3863 0.3225 0.9755 0.215 Uiso 0.689(17) 1 calc R U P C 1
H42B H 0.3784 0.3031 0.9195 0.215 Uiso 0.689(17) 1 calc R U P C 1
C43 C 0.4496(10) 0.3934(9) 0.9323(7) 0.180(5) Uani 0.689(17) 1 d D U P C 1
H43A H 0.4106 0.4184 0.9102 0.216 Uiso 0.689(17) 1 calc R U P C 1
H43B H 0.4630 0.4216 0.9609 0.216 Uiso 0.689(17) 1 calc R U P C 1
C44 C 0.5278(10) 0.3695(10) 0.9077(7) 0.181(5) Uani 0.689(17) 1 d D U P C 1
H44A H 0.5138 0.3619 0.8734 0.217 Uiso 0.689(17) 1 calc R U P C 1
H44B H 0.5706 0.4059 0.9103 0.217 Uiso 0.689(17) 1 calc R U P C 1
C45 C 0.8105(18) 0.4046(11) 0.8743(7) 0.152(6) Uani 0.421(10) 1 d D U P C 1
H45A H 0.8657 0.3973 0.8907 0.183 Uiso 0.421(10) 1 calc R U P C 1
H45B H 0.7749 0.4314 0.8954 0.183 Uiso 0.421(10) 1 calc R U P C 1
C46 C 0.8196(19) 0.4409(12) 0.8263(7) 0.152(6) Uani 0.421(10) 1 d D U P C 1
H46A H 0.8792 0.4425 0.8185 0.182 Uiso 0.421(10) 1 calc R U P C 1
H46B H 0.7990 0.4884 0.8286 0.182 Uiso 0.421(10) 1 calc R U P C 1
C47 C 0.7696(18) 0.4030(11) 0.7867(8) 0.153(6) Uani 0.421(10) 1 d D U P C 1
H47A H 0.7983 0.4030 0.7561 0.184 Uiso 0.421(10) 1 calc R U P C 1
H47B H 0.7123 0.4212 0.7818 0.184 Uiso 0.421(10) 1 calc R U P C 1
C48 C 0.7710(19) 0.3326(10) 0.8107(6) 0.153(6) Uani 0.421(10) 1 d D U P C 1
H48A H 0.7206 0.3064 0.8004 0.183 Uiso 0.421(10) 1 calc R U P C 1
H48B H 0.8209 0.3067 0.8014 0.183 Uiso 0.421(10) 1 calc R U P C 1
C49 C 0.9472(16) 0.2179(18) 0.9119(12) 0.227(10) Uani 0.421(10) 1 d D U P C 1
H49A H 0.9583 0.2676 0.9107 0.272 Uiso 0.421(10) 1 calc R U P C 1
H49B H 0.9353 0.2014 0.8789 0.272 Uiso 0.421(10) 1 calc R U P C 1
C50 C 1.0242(19) 0.1800(16) 0.9346(14) 0.228(10) Uani 0.421(10) 1 d D U P C 1
H50A H 1.0649 0.1654 0.9110 0.273 Uiso 0.421(10) 1 calc R U P C 1
H50B H 1.0524 0.2052 0.9613 0.273 Uiso 0.421(10) 1 calc R U P C 1
C51 C 0.968(2) 0.1229(15) 0.9507(13) 0.228(10) Uani 0.421(10) 1 d D U P C 1
H51A H 0.9992 0.0899 0.9716 0.274 Uiso 0.421(10) 1 calc R U P C 1
H51B H 0.9413 0.0984 0.9233 0.274 Uiso 0.421(10) 1 calc R U P C 1
C52 C 0.9045(19) 0.1657(18) 0.9788(9) 0.229(10) Uani 0.421(10) 1 d D U P C 1
H52A H 0.8590 0.1375 0.9913 0.275 Uiso 0.421(10) 1 calc R U P C 1
H52B H 0.9314 0.1930 1.0049 0.275 Uiso 0.421(10) 1 calc R U P C 1
C53 C 0.784(2) 0.3288(13) 1.0639(10) 0.228(9) Uani 0.421(10) 1 d D U P C 1
H53A H 0.8301 0.2982 1.0743 0.273 Uiso 0.421(10) 1 calc R U P C 1
H53B H 0.7293 0.3082 1.0713 0.273 Uiso 0.421(10) 1 calc R U P C 1
C54 C 0.794(2) 0.4016(14) 1.0830(12) 0.226(9) Uani 0.421(10) 1 d D U P C 1
H54A H 0.8523 0.4171 1.0797 0.271 Uiso 0.421(10) 1 calc R U P C 1
H54B H 0.7813 0.4032 1.1172 0.271 Uiso 0.421(10) 1 calc R U P C 1
C56 C 0.740(3) 0.4071(15) 1.0064(11) 0.222(9) Uani 0.421(10) 1 d D U P C 1
H56A H 0.6841 0.3937 0.9937 0.267 Uiso 0.421(10) 1 calc R U P C 1
H56B H 0.7669 0.4353 0.9819 0.267 Uiso 0.421(10) 1 calc R U P C 1
C55 C 0.732(2) 0.4492(17) 1.0532(12) 0.223(9) Uani 0.421(10) 1 d D U P C 1
H55A H 0.6752 0.4491 1.0652 0.268 Uiso 0.421(10) 1 calc R U P C 1
H55B H 0.7532 0.4966 1.0504 0.268 Uiso 0.421(10) 1 calc R U P C 1
C57 C 0.6034(10) 0.1366(18) 0.8572(10) 0.267(12) Uani 0.475(19) 1 d D U P D 1
H57A H 0.5578 0.1665 0.8677 0.320 Uiso 0.475(19) 1 calc R U P D 1
H57B H 0.5935 0.0884 0.8657 0.320 Uiso 0.475(19) 1 calc R U P D 1
C58 C 0.6266(17) 0.1476(18) 0.8037(10) 0.267(12) Uani 0.475(19) 1 d D U P D 1
H58A H 0.5791 0.1394 0.7808 0.321 Uiso 0.475(19) 1 calc R U P D 1
H58B H 0.6518 0.1929 0.7981 0.321 Uiso 0.475(19) 1 calc R U P D 1
C59 C 0.6904(15) 0.090(2) 0.8048(12) 0.263(12) Uani 0.475(19) 1 d D U P D 1
H59A H 0.7230 0.0880 0.7756 0.316 Uiso 0.475(19) 1 calc R U P D 1
H59B H 0.6652 0.0447 0.8111 0.316 Uiso 0.475(19) 1 calc R U P D 1
C60 C 0.7415(11) 0.1181(19) 0.8485(11) 0.263(12) Uani 0.475(19) 1 d D U P D 1
H60A H 0.7609 0.0810 0.8702 0.315 Uiso 0.475(19) 1 calc R U P D 1
H60B H 0.7902 0.1449 0.8386 0.315 Uiso 0.475(19) 1 calc R U P D 1
C61 C 0.662(2) 0.1089(10) 1.0054(8) 0.247(11) Uani 0.51(2) 1 d D U P E 1
H61A H 0.6959 0.0879 0.9803 0.297 Uiso 0.51(2) 1 calc R U P E 1
H61B H 0.6023 0.1012 0.9981 0.297 Uiso 0.51(2) 1 calc R U P E 1
C62 C 0.691(2) 0.0846(14) 1.0570(8) 0.249(11) Uani 0.51(2) 1 d D U P E 1
H62A H 0.6587 0.0432 1.0651 0.298 Uiso 0.51(2) 1 calc R U P E 1
H62B H 0.7505 0.0723 1.0575 0.298 Uiso 0.51(2) 1 calc R U P E 1
C63 C 0.677(2) 0.1395(12) 1.0943(9) 0.251(11) Uani 0.51(2) 1 d D U P E 1
H63A H 0.7231 0.1416 1.1187 0.301 Uiso 0.51(2) 1 calc R U P E 1
H63B H 0.6230 0.1337 1.1100 0.301 Uiso 0.51(2) 1 calc R U P E 1
C64 C 0.676(2) 0.2012(12) 1.0609(7) 0.250(11) Uani 0.51(2) 1 d D U P E 1
H64A H 0.6239 0.2276 1.0642 0.300 Uiso 0.51(2) 1 calc R U P E 1
H64B H 0.7239 0.2314 1.0692 0.300 Uiso 0.51(2) 1 calc R U P E 1
O1' O 0.546(3) 0.317(2) 0.939(2) 0.167(5) Uani 0.311(17) 1 d D . P C 2
O2' O 0.7520(15) 0.3455(8) 0.8624(9) 0.231(14) Uani 0.579(10) 1 d D . P C 2
O4' O 0.7442(7) 0.3575(7) 1.0044(5) 0.126(5) Uani 0.579(10) 1 d D . P C 2
C41' C 0.474(2) 0.284(2) 0.919(2) 0.213(13) Uani 0.311(17) 1 d D U P C 2
H41C H 0.4525 0.2475 0.9390 0.255 Uiso 0.311(17) 1 calc R U P C 2
H41D H 0.4815 0.2679 0.8858 0.255 Uiso 0.311(17) 1 calc R U P C 2
C42' C 0.423(2) 0.352(2) 0.9210(14) 0.213(13) Uani 0.311(17) 1 d D U P C 2
H42C H 0.3619 0.3443 0.9214 0.255 Uiso 0.311(17) 1 calc R U P C 2
H42D H 0.4357 0.3846 0.8951 0.255 Uiso 0.311(17) 1 calc R U P C 2
C43' C 0.4615(19) 0.375(2) 0.9710(13) 0.215(12) Uani 0.311(17) 1 d D U P C 2
H43C H 0.4358 0.4167 0.9838 0.258 Uiso 0.311(17) 1 calc R U P C 2
H43D H 0.4628 0.3379 0.9952 0.258 Uiso 0.311(17) 1 calc R U P C 2
C44' C 0.5455(19) 0.388(2) 0.9490(19) 0.215(13) Uani 0.311(17) 1 d D U P C 2
H44C H 0.5427 0.4170 0.9203 0.258 Uiso 0.311(17) 1 calc R U P C 2
H44D H 0.5902 0.4025 0.9721 0.258 Uiso 0.311(17) 1 calc R U P C 2
C45' C 0.7218(15) 0.4104(10) 0.8601(8) 0.191(6) Uani 0.579(10) 1 d D U P C 2
H45C H 0.7303 0.4325 0.8918 0.229 Uiso 0.579(10) 1 calc R U P C 2
H45D H 0.6610 0.4091 0.8523 0.229 Uiso 0.579(10) 1 calc R U P C 2
C46' C 0.7643(16) 0.4521(10) 0.8231(8) 0.192(6) Uani 0.579(10) 1 d D U P C 2
H46C H 0.7977 0.4892 0.8384 0.230 Uiso 0.579(10) 1 calc R U P C 2
H46D H 0.7225 0.4725 0.8003 0.230 Uiso 0.579(10) 1 calc R U P C 2
C47' C 0.8210(17) 0.4020(11) 0.7971(9) 0.195(6) Uani 0.579(10) 1 d D U P C 2
H47C H 0.7956 0.3868 0.7661 0.235 Uiso 0.579(10) 1 calc R U P C 2
H47D H 0.8769 0.4216 0.7922 0.235 Uiso 0.579(10) 1 calc R U P C 2
C48' C 0.8242(15) 0.3448(12) 0.8341(10) 0.199(6) Uani 0.579(10) 1 d D U P C 2
H48C H 0.8278 0.3003 0.8175 0.239 Uiso 0.579(10) 1 calc R U P C 2
H48D H 0.8749 0.3501 0.8552 0.239 Uiso 0.579(10) 1 calc R U P C 2
C49' C 0.9456(13) 0.2459(10) 0.9418(12) 0.228(8) Uani 0.579(10) 1 d D U P C 2
H49C H 0.9451 0.2773 0.9695 0.274 Uiso 0.579(10) 1 calc R U P C 2
H49D H 0.9490 0.2729 0.9121 0.274 Uiso 0.579(10) 1 calc R U P C 2
C50' C 1.0149(15) 0.1967(10) 0.9468(12) 0.229(7) Uani 0.579(10) 1 d D U P C 2
H50C H 1.0613 0.2135 0.9278 0.275 Uiso 0.579(10) 1 calc R U P C 2
H50D H 1.0349 0.1962 0.9808 0.275 Uiso 0.579(10) 1 calc R U P C 2
C51' C 0.9962(12) 0.1264(12) 0.9322(12) 0.230(7) Uani 0.579(10) 1 d D U P C 2
H51C H 1.0217 0.0922 0.9544 0.276 Uiso 0.579(10) 1 calc R U P C 2
H51D H 1.0114 0.1167 0.8990 0.276 Uiso 0.579(10) 1 calc R U P C 2
C52' C 0.9008(12) 0.1334(10) 0.9373(11) 0.232(7) Uani 0.579(10) 1 d D U P C 2
H52C H 0.8709 0.1123 0.9094 0.278 Uiso 0.579(10) 1 calc R U P C 2
H52D H 0.8840 0.1093 0.9664 0.278 Uiso 0.579(10) 1 calc R U P C 2
C53' C 0.8268(9) 0.3735(18) 1.0163(10) 0.224(7) Uani 0.579(10) 1 d D U P C 2
H53C H 0.8527 0.3990 0.9902 0.269 Uiso 0.579(10) 1 calc R U P C 2
H53D H 0.8600 0.3318 1.0235 0.269 Uiso 0.579(10) 1 calc R U P C 2
C54' C 0.8190(9) 0.4179(15) 1.0607(7) 0.223(7) Uani 0.579(10) 1 d D U P C 2
H54C H 0.8320 0.4660 1.0531 0.268 Uiso 0.579(10) 1 calc R U P C 2
H54D H 0.8590 0.4023 1.0863 0.268 Uiso 0.579(10) 1 calc R U P C 2
C56' C 0.6878(8) 0.4003(13) 1.0276(7) 0.222(7) Uani 0.579(10) 1 d D U P C 2
H56C H 0.6328 0.3779 1.0300 0.266 Uiso 0.579(10) 1 calc R U P C 2
H56D H 0.6802 0.4440 1.0103 0.266 Uiso 0.579(10) 1 calc R U P C 2
C55' C 0.7289(10) 0.4122(16) 1.0776(7) 0.222(7) Uani 0.579(10) 1 d D U P C 2
H55C H 0.7215 0.3730 1.0993 0.267 Uiso 0.579(10) 1 calc R U P C 2
H55D H 0.7096 0.4547 1.0926 0.267 Uiso 0.579(10) 1 calc R U P C 2
C57' C 0.655(2) 0.1775(9) 0.8215(8) 0.249(10) Uani 0.525(19) 1 d D U P D 2
H57C H 0.6971 0.2062 0.8064 0.299 Uiso 0.525(19) 1 calc R U P D 2
H57D H 0.6015 0.2029 0.8214 0.299 Uiso 0.525(19) 1 calc R U P D 2
C58' C 0.643(2) 0.1081(11) 0.7940(11) 0.248(9) Uani 0.525(19) 1 d D U P D 2
H58C H 0.5870 0.0886 0.7980 0.297 Uiso 0.525(19) 1 calc R U P D 2
H58D H 0.6532 0.1133 0.7595 0.297 Uiso 0.525(19) 1 calc R U P D 2
C59' C 0.7112(18) 0.0650(14) 0.8194(9) 0.247(9) Uani 0.525(19) 1 d D U P D 2
H59C H 0.7681 0.0774 0.8101 0.296 Uiso 0.525(19) 1 calc R U P D 2
H59D H 0.7019 0.0153 0.8153 0.296 Uiso 0.525(19) 1 calc R U P D 2
C60' C 0.691(2) 0.0907(9) 0.8696(9) 0.248(10) Uani 0.525(19) 1 d D U P D 2
H60C H 0.6389 0.0690 0.8797 0.297 Uiso 0.525(19) 1 calc R U P D 2
H60D H 0.7366 0.0774 0.8927 0.297 Uiso 0.525(19) 1 calc R U P D 2
C61' C 0.6094(13) 0.143(2) 1.0213(13) 0.325(15) Uani 0.49(2) 1 d D U P E 2
H61C H 0.5824 0.1256 0.9913 0.390 Uiso 0.49(2) 1 calc R U P E 2
H61D H 0.5698 0.1733 1.0373 0.390 Uiso 0.49(2) 1 calc R U P E 2
C62' C 0.6373(19) 0.0835(16) 1.0545(13) 0.325(15) Uani 0.49(2) 1 d D U P E 2
H62C H 0.6645 0.0459 1.0373 0.389 Uiso 0.49(2) 1 calc R U P E 2
H62D H 0.5917 0.0655 1.0736 0.389 Uiso 0.49(2) 1 calc R U P E 2
C63' C 0.7010(19) 0.129(2) 1.0845(9) 0.326(15) Uani 0.49(2) 1 d D U P E 2
H63C H 0.7334 0.1038 1.1097 0.391 Uiso 0.49(2) 1 calc R U P E 2
H63D H 0.6766 0.1712 1.0972 0.391 Uiso 0.49(2) 1 calc R U P E 2
C64' C 0.7487(15) 0.139(2) 1.0370(11) 0.325(15) Uani 0.49(2) 1 d D U P E 2
H64C H 0.7999 0.1673 1.0417 0.391 Uiso 0.49(2) 1 calc R U P E 2
H64D H 0.7618 0.0958 1.0210 0.391 Uiso 0.49(2) 1 calc R U P E 2


_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
K1 O1 2.654(18) . ?
K1 O5 2.676(7) . ?
K1 O4' 2.682(10) . ?
K1 O2' 2.68(2) . ?
K1 O6 2.711(8) . ?
K1 O3 2.721(8) . ?
K1 O2 2.759(17) . ?
K1 O1' 2.94(5) . ?
K1 O4 2.96(4) . ?
Y1 N7 2.352(5) . ?
Y1 N6 2.357(4) . ?
Y1 N3 2.370(5) . ?
Y1 N4 2.374(5) . ?
Y1 N1 2.377(4) . ?
Y1 N2 2.381(5) . ?
Y1 N5 2.385(4) . ?
Y1 N8 2.393(5) . ?
N1 C2 1.331(6) . ?
N1 N2 1.380(6) . ?
N2 C1 1.339(6) . ?
N3 C11 1.329(7) . ?
N3 N4 1.381(6) . ?
N4 C12 1.314(6) . ?
N5 C21 1.341(6) . ?
N5 N6 1.364(5) . ?
N6 C22 1.333(6) . ?
N7 C31 1.313(7) . ?
N7 N8 1.365(6) . ?
N8 C32 1.314(6) . ?
P1 C1 1.728(6) . ?
P1 C2 1.764(6) . ?
P2 C11 1.743(6) . ?
P2 C12 1.753(7) . ?
P3 C21 1.732(6) . ?
P3 C22 1.733(6) . ?
P4 C32 1.741(6) . ?
P4 C31 1.753(7) . ?
C1 C7 1.498(8) . ?
C2 C3 1.498(8) . ?
C3 C5 1.544(10) . ?
C3 C6 1.547(9) . ?
C3 C4 1.556(8) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C8' 1.515(18) . ?
C7 C9 1.518(10) . ?
C7 C9' 1.524(17) . ?
C7 C10 1.527(10) . ?
C7 C10' 1.550(18) . ?
C7 C8 1.567(10) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C8' H8'1 0.9600 . ?
C8' H8'2 0.9600 . ?
C8' H8'3 0.9600 . ?
C9' H9'1 0.9600 . ?
C9' H9'2 0.9600 . ?
C9' H9'3 0.9600 . ?
C10' H10D 0.9600 . ?
C10' H10E 0.9600 . ?
C10' H10F 0.9600 . ?
C11 C17 1.513(9) . ?
C12 C13 1.508(9) . ?
C13 C16 1.517(10) . ?
C13 C15' 1.518(18) . ?
C13 C14 1.532(10) . ?
C13 C14' 1.536(18) . ?
C13 C15 1.539(11) . ?
C13 C16' 1.582(18) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C14' H14D 0.9600 . ?
C14' H14E 0.9600 . ?
C14' H14F 0.9600 . ?
C15' H15D 0.9600 . ?
C15' H15E 0.9600 . ?
C15' H15F 0.9600 . ?
C16' H16D 0.9600 . ?
C16' H16E 0.9600 . ?
C16' H16F 0.9600 . ?
C17 C19' 1.462(12) . ?
C17 C18 1.486(16) . ?
C17 C18' 1.519(12) . ?
C17 C20 1.530(15) . ?
C17 C20' 1.574(13) . ?
C17 C19 1.595(16) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C18' H18D 0.9600 . ?
C18' H18E 0.9600 . ?
C18' H18F 0.9600 . ?
C19' H19D 0.9600 . ?
C19' H19E 0.9600 . ?
C19' H19F 0.9600 . ?
C20' H20D 0.9600 . ?
C20' H20E 0.9600 . ?
C20' H20F 0.9600 . ?
C21 C27 1.520(8) . ?
C22 C23 1.525(8) . ?
C23 C25 1.496(10) . ?
C23 C26 1.504(9) . ?
C23 C24 1.530(10) . ?
C23 C24' 1.552(18) . ?
C23 C25' 1.580(17) . ?
C23 C26' 1.586(16) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C24' H24D 0.9600 . ?
C24' H24E 0.9600 . ?
C24' H24F 0.9600 . ?
C25' H25D 0.9600 . ?
C25' H25E 0.9600 . ?
C25' H25F 0.9600 . ?
C26' H26D 0.9600 . ?
C26' H26E 0.9600 . ?
C26' H26F 0.9600 . ?
C27 C29 1.502(10) . ?
C27 C30 1.527(9) . ?
C27 C28 1.540(9) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C37 1.511(8) . ?
C32 C33 1.513(8) . ?
C33 C35 1.512(9) . ?
C33 C34 1.524(9) . ?
C33 C36 1.549(9) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 C38 1.493(9) . ?
C37 C40 1.501(10) . ?
C37 C39 1.531(10) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
O3 C49' 1.315(15) . ?
O3 C52 1.346(16) . ?
O3 C49 1.378(17) . ?
O3 C52' 1.420(15) . ?
O5 C60' 1.335(15) . ?
O5 C57 1.345(15) . ?
O5 C60 1.379(16) . ?
O5 C57' 1.416(14) . ?
O6 C61' 1.329(18) . ?
O6 C61 1.343(16) . ?
O6 C64 1.417(16) . ?
O6 C64' 1.422(17) . ?
O1 C44 1.376(16) . ?
O1 C41 1.384(17) . ?
O2 C45 1.359(17) . ?
O2 C48 1.420(16) . ?
O4 C56 1.347(18) . ?
O4 C53 1.385(19) . ?
C41 C42 1.480(15) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 C43 1.531(15) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 C44 1.496(15) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 C46 1.500(16) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C46 C47 1.502(17) . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C47 C48 1.502(17) . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C49 C50 1.522(19) . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?
C50 C51 1.482(19) . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C51 C52 1.531(18) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C53 C54 1.498(19) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 C55 1.541(19) . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C56 C55 1.529(19) . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C57 C58 1.539(19) . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C58 C59 1.495(19) . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C59 C60 1.514(18) . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
C60 H60A 0.9700 . ?
C60 H60B 0.9700 . ?
C61 C62 1.538(18) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C62 C63 1.492(17) . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C63 C64 1.495(18) . ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
O1' C44' 1.38(2) . ?
O1' C41' 1.39(2) . ?
O2' C45' 1.335(16) . ?
O2' C48' 1.403(17) . ?
O4' C53' 1.361(15) . ?
O4' C56' 1.383(15) . ?
C41' C42' 1.536(19) . ?
C41' H41C 0.9700 . ?
C41' H41D 0.9700 . ?
C42' C43' 1.54(2) . ?
C42' H42C 0.9700 . ?
C42' H42D 0.9700 . ?
C43' C44' 1.495(19) . ?
C43' H43C 0.9700 . ?
C43' H43D 0.9700 . ?
C44' H44C 0.9700 . ?
C44' H44D 0.9700 . ?
C45' C46' 1.475(15) . ?
C45' H45C 0.9700 . ?
C45' H45D 0.9700 . ?
C46' C47' 1.509(17) . ?
C46' H46C 0.9700 . ?
C46' H46D 0.9700 . ?
C47' C48' 1.493(16) . ?
C47' H47C 0.9700 . ?
C47' H47D 0.9700 . ?
C48' H48C 0.9700 . ?
C48' H48D 0.9700 . ?
C49' C50' 1.442(16) . ?
C49' H49C 0.9700 . ?
C49' H49D 0.9700 . ?
C50' C51' 1.435(17) . ?
C50' H50C 0.9700 . ?
C50' H50D 0.9700 . ?
C51' C52' 1.517(16) . ?
C51' H51C 0.9700 . ?
C51' H51D 0.9700 . ?
C52' H52C 0.9700 . ?
C52' H52D 0.9700 . ?
C53' C54' 1.497(17) . ?
C53' H53C 0.9700 . ?
C53' H53D 0.9700 . ?
C54' C55' 1.512(16) . ?
C54' H54C 0.9700 . ?
C54' H54D 0.9700 . ?
C56' C55' 1.508(16) . ?
C56' H56C 0.9700 . ?
C56' H56D 0.9700 . ?
C55' H55C 0.9700 . ?
C55' H55D 0.9700 . ?
C57' C58' 1.537(17) . ?
C57' H57C 0.9700 . ?
C57' H57D 0.9700 . ?
C58' C59' 1.498(17) . ?
C58' H58C 0.9700 . ?
C58' H58D 0.9700 . ?
C59' C60' 1.509(19) . ?
C59' H59C 0.9700 . ?
C59' H59D 0.9700 . ?
C60' H60C 0.9700 . ?
C60' H60D 0.9700 . ?
C61' C62' 1.515(19) . ?
C61' H61C 0.9700 . ?
C61' H61D 0.9700 . ?
C62' C63' 1.54(2) . ?
C62' H62C 0.9700 . ?
C62' H62D 0.9700 . ?
C63' C64' 1.543(18) . ?
C63' H63C 0.9700 . ?
C63' H63D 0.9700 . ?
C64' H64C 0.9700 . ?
C64' H64D 0.9700 . ?

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
O1 K1 O5 91.6(4) . . ?
O5 K1 O4' 176.2(3) . . ?
O5 K1 O2' 88.4(5) . . ?
O4' K1 O2' 93.5(6) . . ?
O1 K1 O6 92.8(5) . . ?
O5 K1 O6 93.7(3) . . ?
O4' K1 O6 84.4(4) . . ?
O2' K1 O6 177.4(5) . . ?
O1 K1 O3 177.3(5) . . ?
O5 K1 O3 85.9(3) . . ?
O4' K1 O3 97.3(3) . . ?
O2' K1 O3 93.3(5) . . ?
O6 K1 O3 88.5(3) . . ?
O1 K1 O2 92.5(7) . . ?
O5 K1 O2 88.8(5) . . ?
O6 K1 O2 174.1(6) . . ?
O3 K1 O2 86.4(6) . . ?
O5 K1 O1' 96.9(9) . . ?
O4' K1 O1' 79.9(9) . . ?
O2' K1 O1' 89.8(11) . . ?
O6 K1 O1' 88.3(11) . . ?
O3 K1 O1' 175.9(11) . . ?
O1 K1 O4 99.3(6) . . ?
O5 K1 O4 168.3(6) . . ?
O6 K1 O4 81.8(7) . . ?
O3 K1 O4 83.2(5) . . ?
O2 K1 O4 94.8(8) . . ?
N7 Y1 N6 81.49(14) . . ?
N7 Y1 N3 148.16(16) . . ?
N6 Y1 N3 88.44(15) . . ?
N7 Y1 N4 130.31(16) . . ?
N6 Y1 N4 117.21(15) . . ?
N3 Y1 N4 33.85(14) . . ?
N7 Y1 N1 87.37(16) . . ?
N6 Y1 N1 148.01(15) . . ?
N3 Y1 N1 115.16(16) . . ?
N4 Y1 N1 92.78(15) . . ?
N7 Y1 N2 117.55(16) . . ?
N6 Y1 N2 132.92(15) . . ?
N3 Y1 N2 91.31(16) . . ?
N4 Y1 N2 84.19(15) . . ?
N1 Y1 N2 33.72(14) . . ?
N7 Y1 N5 90.86(15) . . ?
N6 Y1 N5 33.42(13) . . ?
N3 Y1 N5 97.18(15) . . ?
N4 Y1 N5 131.00(15) . . ?
N1 Y1 N5 117.75(15) . . ?
N2 Y1 N5 100.33(14) . . ?
N7 Y1 N8 33.43(13) . . ?
N6 Y1 N8 89.19(14) . . ?
N3 Y1 N8 117.00(17) . . ?
N4 Y1 N8 97.95(16) . . ?
N1 Y1 N8 97.83(16) . . ?
N2 Y1 N8 131.29(15) . . ?
N5 Y1 N8 113.18(14) . . ?
C2 N1 N2 113.4(5) . . ?
C2 N1 Y1 168.9(4) . . ?
N2 N1 Y1 73.3(3) . . ?
C1 N2 N1 112.8(5) . . ?
C1 N2 Y1 169.0(4) . . ?
N1 N2 Y1 73.0(3) . . ?
C11 N3 N4 113.0(5) . . ?
C11 N3 Y1 171.4(4) . . ?
N4 N3 Y1 73.3(3) . . ?
C12 N4 N3 112.9(5) . . ?
C12 N4 Y1 170.4(4) . . ?
N3 N4 Y1 72.9(3) . . ?
C21 N5 N6 111.8(4) . . ?
C21 N5 Y1 172.2(4) . . ?
N6 N5 Y1 72.2(2) . . ?
C22 N6 N5 113.0(4) . . ?
C22 N6 Y1 170.9(4) . . ?
N5 N6 Y1 74.4(2) . . ?
C31 N7 N8 113.2(5) . . ?
C31 N7 Y1 171.4(4) . . ?
N8 N7 Y1 74.9(3) . . ?
C32 N8 N7 113.3(5) . . ?
C32 N8 Y1 174.5(4) . . ?
N7 N8 Y1 71.6(3) . . ?
C1 P1 C2 88.0(3) . . ?
C11 P2 C12 87.2(3) . . ?
C21 P3 C22 86.9(3) . . ?
C32 P4 C31 86.9(3) . . ?
N2 C1 C7 118.3(5) . . ?
N2 C1 P1 113.5(5) . . ?
C7 C1 P1 128.0(4) . . ?
N1 C2 C3 122.2(5) . . ?
N1 C2 P1 112.3(5) . . ?
C3 C2 P1 125.4(4) . . ?
C2 C3 C5 109.0(6) . . ?
C2 C3 C6 111.3(5) . . ?
C5 C3 C6 109.2(7) . . ?
C2 C3 C4 109.3(6) . . ?
C5 C3 C4 109.8(7) . . ?
C6 C3 C4 108.4(6) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C1 C7 C8' 109.1(15) . . ?
C1 C7 C9 109.9(6) . . ?
C1 C7 C9' 115.9(15) . . ?
C8' C7 C9' 95.6(13) . . ?
C1 C7 C10 110.5(7) . . ?
C9 C7 C10 110.5(7) . . ?
C1 C7 C10' 105.5(18) . . ?
C8' C7 C10' 113(2) . . ?
C9' C7 C10' 118(2) . . ?
C1 C7 C8 110.1(6) . . ?
C9 C7 C8 109.3(8) . . ?
C10 C7 C8 106.5(8) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7 C8' H8'1 109.5 . . ?
C7 C8' H8'2 109.5 . . ?
H8'1 C8' H8'2 109.5 . . ?
C7 C8' H8'3 109.5 . . ?
H8'1 C8' H8'3 109.5 . . ?
H8'2 C8' H8'3 109.5 . . ?
C7 C9' H9'1 109.5 . . ?
C7 C9' H9'2 109.5 . . ?
H9'1 C9' H9'2 109.5 . . ?
C7 C9' H9'3 109.5 . . ?
H9'1 C9' H9'3 109.5 . . ?
H9'2 C9' H9'3 109.5 . . ?
C7 C10' H10D 109.5 . . ?
C7 C10' H10E 109.5 . . ?
H10D C10' H10E 109.5 . . ?
C7 C10' H10F 109.5 . . ?
H10D C10' H10F 109.5 . . ?
H10E C10' H10F 109.5 . . ?
N3 C11 C17 120.0(6) . . ?
N3 C11 P2 113.3(4) . . ?
C17 C11 P2 126.7(5) . . ?
N4 C12 C13 121.0(6) . . ?
N4 C12 P2 113.7(4) . . ?
C13 C12 P2 125.3(5) . . ?
C12 C13 C16 110.8(7) . . ?
C12 C13 C15' 110.6(14) . . ?
C12 C13 C14 112.7(7) . . ?
C16 C13 C14 108.3(8) . . ?
C12 C13 C14' 107.4(16) . . ?
C15' C13 C14' 94.0(13) . . ?
C12 C13 C15 110.5(7) . . ?
C16 C13 C15 108.8(9) . . ?
C14 C13 C15 105.6(9) . . ?
C12 C13 C16' 106.3(14) . . ?
C15' C13 C16' 131(2) . . ?
C14' C13 C16' 105(2) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C14' H14D 109.5 . . ?
C13 C14' H14E 109.5 . . ?
H14D C14' H14E 109.5 . . ?
C13 C14' H14F 109.5 . . ?
H14D C14' H14F 109.5 . . ?
H14E C14' H14F 109.5 . . ?
C13 C15' H15D 109.5 . . ?
C13 C15' H15E 109.5 . . ?
H15D C15' H15E 109.5 . . ?
C13 C15' H15F 109.5 . . ?
H15D C15' H15F 109.5 . . ?
H15E C15' H15F 109.5 . . ?
C13 C16' H16D 109.5 . . ?
C13 C16' H16E 109.5 . . ?
H16D C16' H16E 109.5 . . ?
C13 C16' H16F 109.5 . . ?
H16D C16' H16F 109.5 . . ?
H16E C16' H16F 109.5 . . ?
C19' C17 C11 114.1(9) . . ?
C18 C17 C11 111.4(14) . . ?
C19' C17 C18' 111.6(11) . . ?
C11 C17 C18' 112.6(7) . . ?
C18 C17 C20 114.5(11) . . ?
C11 C17 C20 107.8(10) . . ?
C19' C17 C20' 110.8(12) . . ?
C11 C17 C20' 108.9(9) . . ?
C18' C17 C20' 97.7(9) . . ?
C18 C17 C19 109.8(12) . . ?
C11 C17 C19 105.7(10) . . ?
C20 C17 C19 107.2(10) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C17 C18' H18D 109.5 . . ?
C17 C18' H18E 109.5 . . ?
H18D C18' H18E 109.5 . . ?
C17 C18' H18F 109.5 . . ?
H18D C18' H18F 109.5 . . ?
H18E C18' H18F 109.5 . . ?
C17 C19' H19D 109.5 . . ?
C17 C19' H19E 109.5 . . ?
H19D C19' H19E 109.5 . . ?
C17 C19' H19F 109.5 . . ?
H19D C19' H19F 109.5 . . ?
H19E C19' H19F 109.5 . . ?
C17 C20' H20D 109.5 . . ?
C17 C20' H20E 109.5 . . ?
H20D C20' H20E 109.5 . . ?
C17 C20' H20F 109.5 . . ?
H20D C20' H20F 109.5 . . ?
H20E C20' H20F 109.5 . . ?
N5 C21 C27 119.2(5) . . ?
N5 C21 P3 114.3(4) . . ?
C27 C21 P3 126.4(4) . . ?
N6 C22 C23 118.4(5) . . ?
N6 C22 P3 113.9(4) . . ?
C23 C22 P3 127.7(4) . . ?
C25 C23 C26 108.7(8) . . ?
C25 C23 C22 109.7(6) . . ?
C26 C23 C22 111.8(7) . . ?
C25 C23 C24 107.8(9) . . ?
C26 C23 C24 109.3(9) . . ?
C22 C23 C24 109.5(6) . . ?
C22 C23 C24' 112.5(14) . . ?
C22 C23 C25' 104.6(12) . . ?
C24' C23 C25' 107(2) . . ?
C22 C23 C26' 106.4(12) . . ?
C24' C23 C26' 119(2) . . ?
C25' C23 C26' 106.3(18) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C23 C24' H24D 109.5 . . ?
C23 C24' H24E 109.5 . . ?
H24D C24' H24E 109.5 . . ?
C23 C24' H24F 109.5 . . ?
H24D C24' H24F 109.5 . . ?
H24E C24' H24F 109.5 . . ?
C23 C25' H25D 109.5 . . ?
C23 C25' H25E 109.5 . . ?
H25D C25' H25E 109.5 . . ?
C23 C25' H25F 109.5 . . ?
H25D C25' H25F 109.5 . . ?
H25E C25' H25F 109.5 . . ?
C23 C26' H26D 109.5 . . ?
C23 C26' H26E 109.5 . . ?
H26D C26' H26E 109.5 . . ?
C23 C26' H26F 109.5 . . ?
H26D C26' H26F 109.5 . . ?
H26E C26' H26F 109.5 . . ?
C29 C27 C21 109.2(6) . . ?
C29 C27 C30 110.5(7) . . ?
C21 C27 C30 112.3(5) . . ?
C29 C27 C28 107.3(7) . . ?
C21 C27 C28 108.5(6) . . ?
C30 C27 C28 108.9(7) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N7 C31 C37 118.6(6) . . ?
N7 C31 P4 113.2(5) . . ?
C37 C31 P4 128.0(5) . . ?
N8 C32 C33 120.1(6) . . ?
N8 C32 P4 113.5(5) . . ?
C33 C32 P4 126.4(5) . . ?
C35 C33 C32 110.7(6) . . ?
C35 C33 C34 110.6(7) . . ?
C32 C33 C34 109.2(6) . . ?
C35 C33 C36 106.1(7) . . ?
C32 C33 C36 111.1(5) . . ?
C34 C33 C36 109.0(6) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 C40 108.7(8) . . ?
C38 C37 C31 111.9(6) . . ?
C40 C37 C31 109.7(6) . . ?
C38 C37 C39 107.2(7) . . ?
C40 C37 C39 108.9(7) . . ?
C31 C37 C39 110.3(7) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C52 O3 C49 109.0(18) . . ?
C49' O3 C52' 112.4(14) . . ?
C49' O3 K1 120.8(12) . . ?
C52 O3 K1 119.7(11) . . ?
C49 O3 K1 130.7(13) . . ?
C52' O3 K1 126.6(10) . . ?
C57 O5 C60 109.2(14) . . ?
C60' O5 C57' 105.1(12) . . ?
C60' O5 K1 133.7(11) . . ?
C57 O5 K1 125.3(12) . . ?
C60 O5 K1 124.9(11) . . ?
C57' O5 K1 120.9(10) . . ?
C61 O6 C64 116.1(17) . . ?
C61' O6 C64' 107(2) . . ?
C61' O6 K1 129.4(14) . . ?
C61 O6 K1 120.3(13) . . ?
C64 O6 K1 123.6(12) . . ?
C64' O6 K1 118.5(13) . . ?
C44 O1 C41 105.4(16) . . ?
C44 O1 K1 132.5(13) . . ?
C41 O1 K1 121.6(15) . . ?
C45 O2 C48 111.0(15) . . ?
C45 O2 K1 118.1(11) . . ?
C48 O2 K1 130.9(14) . . ?
C56 O4 C53 111.8(19) . . ?
C56 O4 K1 99(3) . . ?
C53 O4 K1 120(3) . . ?
O1 C41 C42 110.3(16) . . ?
O1 C41 H41A 109.6 . . ?
C42 C41 H41A 109.6 . . ?
O1 C41 H41B 109.6 . . ?
C42 C41 H41B 109.6 . . ?
H41A C41 H41B 108.1 . . ?
C41 C42 C43 104.1(14) . . ?
C41 C42 H42A 110.9 . . ?
C43 C42 H42A 110.9 . . ?
C41 C42 H42B 110.9 . . ?
C43 C42 H42B 110.9 . . ?
H42A C42 H42B 108.9 . . ?
C44 C43 C42 97.0(14) . . ?
C44 C43 H43A 112.4 . . ?
C42 C43 H43A 112.4 . . ?
C44 C43 H43B 112.4 . . ?
C42 C43 H43B 112.4 . . ?
H43A C43 H43B 109.9 . . ?
O1 C44 C43 112.5(14) . . ?
O1 C44 H44A 109.1 . . ?
C43 C44 H44A 109.1 . . ?
O1 C44 H44B 109.1 . . ?
C43 C44 H44B 109.1 . . ?
H44A C44 H44B 107.8 . . ?
O2 C45 C46 104.1(13) . . ?
O2 C45 H45A 110.9 . . ?
C46 C45 H45A 110.9 . . ?
O2 C45 H45B 110.9 . . ?
C46 C45 H45B 110.9 . . ?
H45A C45 H45B 109.0 . . ?
C45 C46 C47 110.1(15) . . ?
C45 C46 H46A 109.6 . . ?
C47 C46 H46A 109.6 . . ?
C45 C46 H46B 109.6 . . ?
C47 C46 H46B 109.6 . . ?
H46A C46 H46B 108.1 . . ?
C46 C47 C48 97.0(13) . . ?
C46 C47 H47A 112.4 . . ?
C48 C47 H47A 112.4 . . ?
C46 C47 H47B 112.4 . . ?
C48 C47 H47B 112.4 . . ?
H47A C47 H47B 109.9 . . ?
O2 C48 C47 108.0(15) . . ?
O2 C48 H48A 110.1 . . ?
C47 C48 H48A 110.1 . . ?
O2 C48 H48B 110.1 . . ?
C47 C48 H48B 110.1 . . ?
H48A C48 H48B 108.4 . . ?
O3 C49 C50 108(2) . . ?
O3 C49 H49A 110.1 . . ?
C50 C49 H49A 110.1 . . ?
O3 C49 H49B 110.1 . . ?
C50 C49 H49B 110.1 . . ?
H49A C49 H49B 108.4 . . ?
C51 C50 C49 90(2) . . ?
C51 C50 H50A 113.6 . . ?
C49 C50 H50A 113.6 . . ?
C51 C50 H50B 113.6 . . ?
C49 C50 H50B 113.6 . . ?
H50A C50 H50B 110.9 . . ?
C50 C51 C52 99(3) . . ?
C50 C51 H51A 111.9 . . ?
C52 C51 H51A 111.9 . . ?
C50 C51 H51B 111.9 . . ?
C52 C51 H51B 111.9 . . ?
H51A C51 H51B 109.6 . . ?
O3 C52 C51 95.1(19) . . ?
O3 C52 H52A 112.7 . . ?
C51 C52 H52A 112.7 . . ?
O3 C52 H52B 112.7 . . ?
C51 C52 H52B 112.7 . . ?
H52A C52 H52B 110.2 . . ?
O4 C53 C54 93(2) . . ?
O4 C53 H53A 113.1 . . ?
C54 C53 H53A 113.1 . . ?
O4 C53 H53B 113.1 . . ?
C54 C53 H53B 113.1 . . ?
H53A C53 H53B 110.5 . . ?
C53 C54 C55 108(3) . . ?
C53 C54 H54A 110.1 . . ?
C55 C54 H54A 110.1 . . ?
C53 C54 H54B 110.1 . . ?
C55 C54 H54B 110.1 . . ?
H54A C54 H54B 108.4 . . ?
O4 C56 C55 110(3) . . ?
O4 C56 H56A 109.7 . . ?
C55 C56 H56A 109.7 . . ?
O4 C56 H56B 109.7 . . ?
C55 C56 H56B 109.7 . . ?
H56A C56 H56B 108.2 . . ?
C56 C55 C54 93(3) . . ?
C56 C55 H55A 113.0 . . ?
C54 C55 H55A 113.0 . . ?
C56 C55 H55B 113.0 . . ?
C54 C55 H55B 113.0 . . ?
H55A C55 H55B 110.4 . . ?
O5 C57 C58 87.1(16) . . ?
O5 C57 H57A 114.1 . . ?
C58 C57 H57A 114.1 . . ?
O5 C57 H57B 114.1 . . ?
C58 C57 H57B 114.1 . . ?
H57A C57 H57B 111.3 . . ?
C59 C58 C57 94(2) . . ?
C59 C58 H58A 113.0 . . ?
C57 C58 H58A 113.0 . . ?
C59 C58 H58B 113.0 . . ?
C57 C58 H58B 113.0 . . ?
H58A C58 H58B 110.4 . . ?
C58 C59 C60 95(2) . . ?
C58 C59 H59A 112.8 . . ?
C60 C59 H59A 112.8 . . ?
C58 C59 H59B 112.8 . . ?
C60 C59 H59B 112.8 . . ?
H59A C59 H59B 110.2 . . ?
O5 C60 C59 101.4(16) . . ?
O5 C60 H60A 111.5 . . ?
C59 C60 H60A 111.5 . . ?
O5 C60 H60B 111.5 . . ?
C59 C60 H60B 111.5 . . ?
H60A C60 H60B 109.3 . . ?
O6 C61 C62 96.1(18) . . ?
O6 C61 H61A 112.5 . . ?
C62 C61 H61A 112.5 . . ?
O6 C61 H61B 112.5 . . ?
C62 C61 H61B 112.5 . . ?
H61A C61 H61B 110.1 . . ?
C63 C62 C61 112(2) . . ?
C63 C62 H62A 109.2 . . ?
C61 C62 H62A 109.2 . . ?
C63 C62 H62B 109.2 . . ?
C61 C62 H62B 109.2 . . ?
H62A C62 H62B 107.9 . . ?
C62 C63 C64 98(2) . . ?
C62 C63 H63A 112.2 . . ?
C64 C63 H63A 112.2 . . ?
C62 C63 H63B 112.2 . . ?
C64 C63 H63B 112.2 . . ?
H63A C63 H63B 109.8 . . ?
O6 C64 C63 108.0(18) . . ?
O6 C64 H64A 110.1 . . ?
C63 C64 H64A 110.1 . . ?
O6 C64 H64B 110.1 . . ?
C63 C64 H64B 110.1 . . ?
H64A C64 H64B 108.4 . . ?
C44' O1' C41' 121(4) . . ?
C44' O1' K1 113(2) . . ?
C41' O1' K1 123(3) . . ?
C45' O2' C48' 106.1(16) . . ?
C45' O2' K1 122.2(14) . . ?
C48' O2' K1 126.9(15) . . ?
C53' O4' C56' 112.2(12) . . ?
C53' O4' K1 116.2(11) . . ?
C56' O4' K1 131.3(9) . . ?
O1' C41' C42' 91(3) . . ?
O1' C41' H41C 113.5 . . ?
C42' C41' H41C 113.5 . . ?
O1' C41' H41D 113.5 . . ?
C42' C41' H41D 113.5 . . ?
H41C C41' H41D 110.8 . . ?
C41' C42' C43' 95(3) . . ?
C41' C42' H42C 112.7 . . ?
C43' C42' H42C 112.7 . . ?
C41' C42' H42D 112.7 . . ?
C43' C42' H42D 112.7 . . ?
H42C C42' H42D 110.2 . . ?
C44' C43' C42' 90(3) . . ?
C44' C43' H43C 113.6 . . ?
C42' C43' H43C 113.6 . . ?
C44' C43' H43D 113.6 . . ?
C42' C43' H43D 113.6 . . ?
H43C C43' H43D 110.8 . . ?
O1' C44' C43' 86(3) . . ?
O1' C44' H44C 114.3 . . ?
C43' C44' H44C 114.3 . . ?
O1' C44' H44D 114.3 . . ?
C43' C44' H44D 114.3 . . ?
H44C C44' H44D 111.5 . . ?
O2' C45' C46' 111.6(16) . . ?
O2' C45' H45C 109.3 . . ?
C46' C45' H45C 109.3 . . ?
O2' C45' H45D 109.3 . . ?
C46' C45' H45D 109.3 . . ?
H45C C45' H45D 108.0 . . ?
C45' C46' C47' 105.9(16) . . ?
C45' C46' H46C 110.6 . . ?
C47' C46' H46C 110.6 . . ?
C45' C46' H46D 110.6 . . ?
C47' C46' H46D 110.6 . . ?
H46C C46' H46D 108.7 . . ?
C48' C47' C46' 98.8(17) . . ?
C48' C47' H47C 112.0 . . ?
C46' C47' H47C 112.0 . . ?
C48' C47' H47D 112.0 . . ?
C46' C47' H47D 112.0 . . ?
H47C C47' H47D 109.7 . . ?
O2' C48' C47' 111.4(17) . . ?
O2' C48' H48C 109.4 . . ?
C47' C48' H48C 109.4 . . ?
O2' C48' H48D 109.4 . . ?
C47' C48' H48D 109.4 . . ?
H48C C48' H48D 108.0 . . ?
O3 C49' C50' 102.2(17) . . ?
O3 C49' H49C 111.3 . . ?
C50' C49' H49C 111.3 . . ?
O3 C49' H49D 111.3 . . ?
C50' C49' H49D 111.3 . . ?
H49C C49' H49D 109.2 . . ?
C51' C50' C49' 116(2) . . ?
C51' C50' H50C 108.2 . . ?
C49' C50' H50C 108.2 . . ?
C51' C50' H50D 108.2 . . ?
C49' C50' H50D 108.2 . . ?
H50C C50' H50D 107.3 . . ?
C50' C51' C52' 94.7(18) . . ?
C50' C51' H51C 112.8 . . ?
C52' C51' H51C 112.8 . . ?
C50' C51' H51D 112.8 . . ?
C52' C51' H51D 112.8 . . ?
H51C C51' H51D 110.2 . . ?
O3 C52' C51' 109.7(15) . . ?
O3 C52' H52C 109.7 . . ?
C51' C52' H52C 109.7 . . ?
O3 C52' H52D 109.7 . . ?
C51' C52' H52D 109.7 . . ?
H52C C52' H52D 108.2 . . ?
O4' C53' C54' 102.3(12) . . ?
O4' C53' H53C 111.3 . . ?
C54' C53' H53C 111.3 . . ?
O4' C53' H53D 111.3 . . ?
C54' C53' H53D 111.3 . . ?
H53C C53' H53D 109.2 . . ?
C53' C54' C55' 108.5(13) . . ?
C53' C54' H54C 110.0 . . ?
C55' C54' H54C 110.0 . . ?
C53' C54' H54D 110.0 . . ?
C55' C54' H54D 110.0 . . ?
H54C C54' H54D 108.4 . . ?
O4' C56' C55' 104.5(13) . . ?
O4' C56' H56C 110.9 . . ?
C55' C56' H56C 110.9 . . ?
O4' C56' H56D 110.9 . . ?
C55' C56' H56D 110.9 . . ?
H56C C56' H56D 108.9 . . ?
C56' C55' C54' 96.0(12) . . ?
C56' C55' H55C 112.6 . . ?
C54' C55' H55C 112.6 . . ?
C56' C55' H55D 112.6 . . ?
C54' C55' H55D 112.6 . . ?
H55C C55' H55D 110.1 . . ?
O5 C57' C58' 106.1(15) . . ?
O5 C57' H57C 110.5 . . ?
C58' C57' H57C 110.5 . . ?
O5 C57' H57D 110.5 . . ?
C58' C57' H57D 110.5 . . ?
H57C C57' H57D 108.7 . . ?
C59' C58' C57' 100.6(19) . . ?
C59' C58' H58C 111.7 . . ?
C57' C58' H58C 111.7 . . ?
C59' C58' H58D 111.7 . . ?
C57' C58' H58D 111.7 . . ?
H58C C58' H58D 109.4 . . ?
C58' C59' C60' 94(2) . . ?
C58' C59' H59C 112.9 . . ?
C60' C59' H59C 112.9 . . ?
C58' C59' H59D 112.9 . . ?
C60' C59' H59D 112.9 . . ?
H59C C59' H59D 110.3 . . ?
O5 C60' C59' 110.8(18) . . ?
O5 C60' H60C 109.5 . . ?
C59' C60' H60C 109.5 . . ?
O5 C60' H60D 109.5 . . ?
C59' C60' H60D 109.5 . . ?
H60C C60' H60D 108.1 . . ?
O6 C61' C62' 104.3(19) . . ?
O6 C61' H61C 110.9 . . ?
C62' C61' H61C 110.9 . . ?
O6 C61' H61D 110.9 . . ?
C62' C61' H61D 110.9 . . ?
H61C C61' H61D 108.9 . . ?
C61' C62' C63' 93.4(15) . . ?
C61' C62' H62C 113.0 . . ?
C63' C62' H62C 113.0 . . ?
C61' C62' H62D 113.0 . . ?
C63' C62' H62D 113.0 . . ?
H62C C62' H62D 110.4 . . ?
C62' C63' C64' 87(2) . . ?
C62' C63' H63C 114.1 . . ?
C64' C63' H63C 114.1 . . ?
C62' C63' H63D 114.1 . . ?
C64' C63' H63D 114.1 . . ?
H63C C63' H63D 111.3 . . ?
O6 C64' C63' 94.9(17) . . ?
O6 C64' H64C 112.8 . . ?
C63' C64' H64C 112.8 . . ?
O6 C64' H64D 112.8 . . ?
C63' C64' H64D 112.8 . . ?
H64C C64' H64D 110.2 . . ?

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
C2 N1 N2 C1 -0.5(6) . . . . ?
Y1 N1 N2 C1 170.0(4) . . . . ?
C2 N1 N2 Y1 -170.5(4) . . . . ?
C11 N3 N4 C12 -1.8(7) . . . . ?
Y1 N3 N4 C12 171.9(4) . . . . ?
C11 N3 N4 Y1 -173.6(5) . . . . ?
C21 N5 N6 C22 -1.5(6) . . . . ?
Y1 N5 N6 C22 -174.4(4) . . . . ?
C21 N5 N6 Y1 172.9(4) . . . . ?
C31 N7 N8 C32 0.2(6) . . . . ?
Y1 N7 N8 C32 177.4(4) . . . . ?
C31 N7 N8 Y1 -177.2(4) . . . . ?
N1 N2 C1 C7 -175.4(5) . . . . ?
Y1 N2 C1 C7 -56(2) . . . . ?
N1 N2 C1 P1 -0.3(6) . . . . ?
Y1 N2 C1 P1 120(2) . . . . ?
C2 P1 C1 N2 0.7(4) . . . . ?
C2 P1 C1 C7 175.2(6) . . . . ?
N2 N1 C2 C3 178.9(5) . . . . ?
Y1 N1 C2 C3 54(2) . . . . ?
N2 N1 C2 P1 1.0(6) . . . . ?
Y1 N1 C2 P1 -124(2) . . . . ?
C1 P1 C2 N1 -0.9(5) . . . . ?
C1 P1 C2 C3 -178.7(6) . . . . ?
N1 C2 C3 C5 104.0(7) . . . . ?
P1 C2 C3 C5 -78.4(7) . . . . ?
N1 C2 C3 C6 -16.5(9) . . . . ?
P1 C2 C3 C6 161.1(5) . . . . ?
N1 C2 C3 C4 -136.1(7) . . . . ?
P1 C2 C3 C4 41.5(9) . . . . ?
N2 C1 C7 C8' -95.1(19) . . . . ?
P1 C1 C7 C8' 90.6(19) . . . . ?
N2 C1 C7 C9 78.2(8) . . . . ?
P1 C1 C7 C9 -96.1(8) . . . . ?
N2 C1 C7 C9' 11(2) . . . . ?
P1 C1 C7 C9' -162.9(18) . . . . ?
N2 C1 C7 C10 -159.6(7) . . . . ?
P1 C1 C7 C10 26.0(10) . . . . ?
N2 C1 C7 C10' 143(2) . . . . ?
P1 C1 C7 C10' -31(2) . . . . ?
N2 C1 C7 C8 -42.2(10) . . . . ?
P1 C1 C7 C8 143.4(8) . . . . ?
N4 N3 C11 C17 -179.9(6) . . . . ?
N4 N3 C11 P2 0.9(7) . . . . ?
C12 P2 C11 N3 0.1(5) . . . . ?
C12 P2 C11 C17 -179.1(7) . . . . ?
N3 N4 C12 C13 -177.5(6) . . . . ?
N3 N4 C12 P2 1.8(6) . . . . ?
C11 P2 C12 N4 -1.1(5) . . . . ?
C11 P2 C12 C13 178.2(6) . . . . ?
N4 C12 C13 C16 -92.2(9) . . . . ?
P2 C12 C13 C16 88.5(8) . . . . ?
N4 C12 C13 C15' -19.6(19) . . . . ?
P2 C12 C13 C15' 161.2(18) . . . . ?
N4 C12 C13 C14 146.2(9) . . . . ?
P2 C12 C13 C14 -33.0(11) . . . . ?
N4 C12 C13 C14' 81.7(19) . . . . ?
P2 C12 C13 C14' -97.5(18) . . . . ?
N4 C12 C13 C15 28.4(11) . . . . ?
P2 C12 C13 C15 -150.9(8) . . . . ?
N4 C12 C13 C16' -166.8(16) . . . . ?
P2 C12 C13 C16' 14.0(18) . . . . ?
N3 C11 C17 C19' 114.2(13) . . . . ?
P2 C11 C17 C19' -66.6(14) . . . . ?
N3 C11 C17 C18 -53.3(16) . . . . ?
P2 C11 C17 C18 125.8(15) . . . . ?
N3 C11 C17 C18' -14.2(11) . . . . ?
P2 C11 C17 C18' 164.9(8) . . . . ?
N3 C11 C17 C20 -179.8(13) . . . . ?
P2 C11 C17 C20 -0.6(15) . . . . ?
N3 C11 C17 C20' -121.4(11) . . . . ?
P2 C11 C17 C20' 57.7(12) . . . . ?
N3 C11 C17 C19 65.9(14) . . . . ?
P2 C11 C17 C19 -115.0(13) . . . . ?
N6 N5 C21 C27 178.7(5) . . . . ?
N6 N5 C21 P3 2.5(6) . . . . ?
C22 P3 C21 N5 -2.2(4) . . . . ?
C22 P3 C21 C27 -178.0(6) . . . . ?
N5 N6 C22 C23 178.3(5) . . . . ?
N5 N6 C22 P3 -0.2(6) . . . . ?
C21 P3 C22 N6 1.3(4) . . . . ?
C21 P3 C22 C23 -177.0(6) . . . . ?
N6 C22 C23 C25 -65.6(9) . . . . ?
P3 C22 C23 C25 112.6(8) . . . . ?
N6 C22 C23 C26 173.7(8) . . . . ?
P3 C22 C23 C26 -8.1(11) . . . . ?
N6 C22 C23 C24 52.5(10) . . . . ?
P3 C22 C23 C24 -129.3(8) . . . . ?
N6 C22 C23 C24' -5(2) . . . . ?
P3 C22 C23 C24' 173(2) . . . . ?
N6 C22 C23 C25' -120.9(17) . . . . ?
P3 C22 C23 C25' 57.3(18) . . . . ?
N6 C22 C23 C26' 126.9(13) . . . . ?
P3 C22 C23 C26' -54.9(14) . . . . ?
N5 C21 C27 C29 -87.1(7) . . . . ?
P3 C21 C27 C29 88.6(7) . . . . ?
N5 C21 C27 C30 35.8(8) . . . . ?
P3 C21 C27 C30 -148.5(6) . . . . ?
N5 C21 C27 C28 156.2(6) . . . . ?
P3 C21 C27 C28 -28.1(8) . . . . ?
N8 N7 C31 C37 175.7(5) . . . . ?
N8 N7 C31 P4 0.0(6) . . . . ?
C32 P4 C31 N7 -0.1(4) . . . . ?
C32 P4 C31 C37 -175.3(6) . . . . ?
N7 N8 C32 C33 179.7(5) . . . . ?
N7 N8 C32 P4 -0.3(6) . . . . ?
C31 P4 C32 N8 0.2(4) . . . . ?
C31 P4 C32 C33 -179.7(6) . . . . ?
N8 C32 C33 C35 148.9(6) . . . . ?
P4 C32 C33 C35 -31.1(9) . . . . ?
N8 C32 C33 C34 -89.0(7) . . . . ?
P4 C32 C33 C34 90.9(7) . . . . ?
N8 C32 C33 C36 31.3(8) . . . . ?
P4 C32 C33 C36 -148.8(5) . . . . ?
N7 C31 C37 C38 43.7(9) . . . . ?
P4 C31 C37 C38 -141.3(7) . . . . ?
N7 C31 C37 C40 -77.1(8) . . . . ?
P4 C31 C37 C40 97.9(8) . . . . ?
N7 C31 C37 C39 163.0(6) . . . . ?
P4 C31 C37 C39 -22.0(9) . . . . ?
C44 O1 C41 C42 0(2) . . . . ?
K1 O1 C41 C42 172.9(12) . . . . ?
O1 C41 C42 C43 -20(2) . . . . ?
C41 C42 C43 C44 28.7(18) . . . . ?
C41 O1 C44 C43 22(2) . . . . ?
K1 O1 C44 C43 -150.5(15) . . . . ?
C42 C43 C44 O1 -32(2) . . . . ?
C48 O2 C45 C46 10(3) . . . . ?
K1 O2 C45 C46 -171.5(16) . . . . ?
O2 C45 C46 C47 11(4) . . . . ?
C45 C46 C47 C48 -25(3) . . . . ?
C45 O2 C48 C47 -27(3) . . . . ?
K1 O2 C48 C47 153.9(18) . . . . ?
C46 C47 C48 O2 31(3) . . . . ?
C49' O3 C49 C50 79(3) . . . . ?
C52 O3 C49 C50 2(3) . . . . ?
C52' O3 C49 C50 -50(3) . . . . ?
K1 O3 C49 C50 172.9(16) . . . . ?
O3 C49 C50 C51 34(3) . . . . ?
C49 C50 C51 C52 -54(3) . . . . ?
C49' O3 C52 C51 -78(2) . . . . ?
C49 O3 C52 C51 -36(3) . . . . ?
C52' O3 C52 C51 36.0(18) . . . . ?
K1 O3 C52 C51 152.2(19) . . . . ?
C50 C51 C52 O3 60(3) . . . . ?
C56 O4 C53 C54 -44(5) . . . . ?
K1 O4 C53 C54 -159.7(19) . . . . ?
O4 C53 C54 C55 47(4) . . . . ?
C53 O4 C56 C55 26(6) . . . . ?
K1 O4 C56 C55 154(3) . . . . ?
O4 C56 C55 C54 6(4) . . . . ?
C53 C54 C55 C56 -33(4) . . . . ?
C60' O5 C57 C58 -95.3(19) . . . . ?
C60 O5 C57 C58 -58(2) . . . . ?
C57' O5 C57 C58 18.1(16) . . . . ?
K1 O5 C57 C58 130.3(16) . . . . ?
O5 C57 C58 C59 69(2) . . . . ?
C57 C58 C59 C60 -55(3) . . . . ?
C60' O5 C60 C59 76(3) . . . . ?
C57 O5 C60 C59 25(3) . . . . ?
C57' O5 C60 C59 -38(3) . . . . ?
K1 O5 C60 C59 -163.2(19) . . . . ?
C58 C59 C60 O5 22(3) . . . . ?
C61' O6 C61 C62 -87(2) . . . . ?
C64 O6 C61 C62 -29(3) . . . . ?
C64' O6 C61 C62 39.7(19) . . . . ?
K1 O6 C61 C62 154.2(15) . . . . ?
O6 C61 C62 C63 32(3) . . . . ?
C61 C62 C63 C64 -22(4) . . . . ?
C61' O6 C64 C63 60(3) . . . . ?
C61 O6 C64 C63 17(3) . . . . ?
C64' O6 C64 C63 -49(3) . . . . ?
K1 O6 C64 C63 -166(2) . . . . ?
C62 C63 C64 O6 5(4) . . . . ?
C44' O1' C41' C42' -4(6) . . . . ?
K1 O1' C41' C42' -164(3) . . . . ?
O1' C41' C42' C43' -39(4) . . . . ?
C41' C42' C43' C44' 69(4) . . . . ?
C41' O1' C44' C43' 46(6) . . . . ?
K1 O1' C44' C43' -152(3) . . . . ?
C42' C43' C44' O1' -63(4) . . . . ?
C48' O2' C45' C46' 10(3) . . . . ?
K1 O2' C45' C46' 167.1(17) . . . . ?
O2' C45' C46' C47' 6(4) . . . . ?
C45' C46' C47' C48' -18(3) . . . . ?
C45' O2' C48' C47' -23(3) . . . . ?
K1 O2' C48' C47' -178.9(16) . . . . ?
C46' C47' C48' O2' 26(3) . . . . ?
C52 O3 C49' C50' 47(2) . . . . ?
C49 O3 C49' C50' -65(3) . . . . ?
C52' O3 C49' C50' -8(3) . . . . ?
K1 O3 C49' C50' 176.5(15) . . . . ?
O3 C49' C50' C51' 20(3) . . . . ?
C49' C50' C51' C52' -22(3) . . . . ?
C49' O3 C52' C51' -5(3) . . . . ?
C52 O3 C52' C51' -86(3) . . . . ?
C49 O3 C52' C51' 30(3) . . . . ?
K1 O3 C52' C51' 170.1(15) . . . . ?
C50' C51' C52' O3 15(3) . . . . ?
C56' O4' C53' C54' 16(3) . . . . ?
K1 O4' C53' C54' -169.4(15) . . . . ?
O4' C53' C54' C55' 12(3) . . . . ?
C53' O4' C56' C55' -37(3) . . . . ?
K1 O4' C56' C55' 149.0(15) . . . . ?
O4' C56' C55' C54' 39(2) . . . . ?
C53' C54' C55' C56' -30(3) . . . . ?
C60' O5 C57' C58' 4(3) . . . . ?
C57 O5 C57' C58' -64(2) . . . . ?
C60 O5 C57' C58' 49(3) . . . . ?
K1 O5 C57' C58' 178.1(18) . . . . ?
O5 C57' C58' C59' -32(3) . . . . ?
C57' C58' C59' C60' 43(3) . . . . ?
C57 O5 C60' C59' 88(2) . . . . ?
C60 O5 C60' C59' -43(2) . . . . ?
C57' O5 C60' C59' 27(3) . . . . ?
K1 O5 C60' C59' -146.0(15) . . . . ?
C58' C59' C60' O5 -46(3) . . . . ?
C61 O6 C61' C62' 55(3) . . . . ?
C64 O6 C61' C62' -74(3) . . . . ?
C64' O6 C61' C62' 2(3) . . . . ?
K1 O6 C61' C62' 155.7(15) . . . . ?
O6 C61' C62' C63' 41(3) . . . . ?
C61' C62' C63' C64' -62(3) . . . . ?
C61' O6 C64' C63' -44(3) . . . . ?
C61 O6 C64' C63' -85(3) . . . . ?
C64 O6 C64' C63' 37(3) . . . . ?
K1 O6 C64' C63' 158.9(19) . . . . ?
C62' C63' C64' O6 65(3) . . . . ?

_refine_diff_density_max         0.568
_refine_diff_density_min         -0.719
_refine_diff_density_rms         0.052

_shelxl_version_number           2013-2

####################################################################### 
# 
# 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_compound7
_database_code_depnum_ccdc_archive 'CCDC 1420193'
_audit_update_record             
;
2015-12-02 deposited with the CCDC.
2015-12-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H72 Eu K2 N8 P4'
_chemical_formula_sum            'C40 H72 Eu K2 N8 P4'
_chemical_formula_weight         1019.10

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'
Eu Eu -0.1578 3.6682 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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'
_space_group_name_Hall           '-P 2ybc'

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                   20.6930(5)
_cell_length_b                   12.1401(3)
_cell_length_c                   21.7951(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.795(2)
_cell_angle_gamma                90.00
_cell_volume                     5359.7(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    8557
_cell_measurement_theta_min      3.2890
_cell_measurement_theta_max      28.3670

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.263
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2116
_exptl_absorpt_coefficient_mu    1.478
_exptl_absorpt_correction_T_min  0.80894
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Eos
_diffrn_detector_area_resol_mean 16.0251
_diffrn_measurement_method       'ω scans'
_diffrn_standards_number         25656
_diffrn_standards_interval_count 1
_diffrn_standards_interval_time  18.6700
_diffrn_standards_decay_%        none
_diffrn_reflns_number            23727
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_unetI/netI     0.0765
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.87
_diffrn_reflns_theta_max         26.34
_reflns_number_total             10926
_reflns_number_gt                7792
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_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. 
Restraints used in ins file:
shel 999 0.80 
isor 0.005 C1 C3 c4 c1' c3' C4' 
isor 0.005 C38 c39 c40 c38' c39' c40' 
simu 0.005 0.005 C11 C12 c13 c11' c12' c13' 
simu 0.005 0.005 C21 c22 c23 c24 
simu 0.005 0.005 C27 C28 c29 c30 
conf 
htab 2 
FREE C19  K2  
WGHT  0.032400  0.000000 
FVAR  2.497960  0.466150  0.631030  0.829510
;

_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)+(0.0324P)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         10926
_refine_ls_number_parameters     612
_refine_ls_number_restraints     138
_refine_ls_R_factor_all          0.0721
_refine_ls_R_factor_gt           0.0420
_refine_ls_wR_factor_ref         0.0949
_refine_ls_wR_factor_gt          0.0832
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.152
_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
C2 C 0.3575(3) 0.2328(4) 0.5286(2) 0.0593(15) Uani 1 1 d . . .
C5 C 0.3535(2) 0.2274(4) 0.5976(2) 0.0479(12) Uani 1 1 d . A .
C6 C 0.3496(2) 0.1949(4) 0.7054(2) 0.0463(12) Uani 1 1 d . A .
C7 C 0.3460(3) 0.1581(4) 0.7709(2) 0.0579(15) Uani 1 1 d . . .
C8 C 0.2794(4) 0.1101(6) 0.7703(3) 0.129(3) Uani 1 1 d . . .
H8A H 0.2464 0.1666 0.7603 0.193 Uiso 1 1 calc R . .
H8B H 0.2784 0.0801 0.8109 0.193 Uiso 1 1 calc R . .
H8C H 0.2705 0.0527 0.7394 0.193 Uiso 1 1 calc R . .
C9 C 0.3984(4) 0.0693(5) 0.7944(3) 0.117(3) Uani 1 1 d . . .
H9A H 0.3911 0.0069 0.7668 0.175 Uiso 1 1 calc R . .
H9B H 0.3952 0.0468 0.8359 0.175 Uiso 1 1 calc R . .
H9C H 0.4416 0.0989 0.7952 0.175 Uiso 1 1 calc R . .
C10 C 0.3596(3) 0.2543(5) 0.8168(2) 0.088(2) Uani 1 1 d . . .
H10A H 0.4035 0.2813 0.8185 0.133 Uiso 1 1 calc R . .
H10B H 0.3554 0.2299 0.8577 0.133 Uiso 1 1 calc R . .
H10C H 0.3284 0.3122 0.8030 0.133 Uiso 1 1 calc R . .
C11 C 0.1859(10) 0.4258(17) 0.8612(9) 0.126(4) Uani 0.466(7) 1 d PU A 1
H11A H 0.1760 0.3823 0.8949 0.189 Uiso 0.466(7) 1 calc PR A 1
H11B H 0.2039 0.4954 0.8772 0.189 Uiso 0.466(7) 1 calc PR A 1
H11C H 0.2175 0.3876 0.8423 0.189 Uiso 0.466(7) 1 calc PR A 1
C12 C 0.0965(11) 0.3420(15) 0.7818(10) 0.129(4) Uani 0.466(7) 1 d PU A 1
H12A H 0.1306 0.3038 0.7664 0.193 Uiso 0.466(7) 1 calc PR A 1
H12B H 0.0609 0.3591 0.7474 0.193 Uiso 0.466(7) 1 calc PR A 1
H12C H 0.0804 0.2963 0.8114 0.193 Uiso 0.466(7) 1 calc PR A 1
C13 C 0.0704(10) 0.4819(14) 0.8520(9) 0.118(4) Uani 0.466(7) 1 d PU A 1
H13A H 0.0692 0.4290 0.8845 0.177 Uiso 0.466(7) 1 calc PR A 1
H13B H 0.0277 0.4864 0.8249 0.177 Uiso 0.466(7) 1 calc PR A 1
H13C H 0.0824 0.5527 0.8705 0.177 Uiso 0.466(7) 1 calc PR A 1
C14 C 0.1234(4) 0.4448(5) 0.8127(3) 0.0730(17) Uani 1 1 d . . .
C15 C 0.1348(3) 0.5340(4) 0.7681(2) 0.0518(13) Uani 1 1 d . A .
C16 C 0.1489(2) 0.6952(4) 0.7092(2) 0.0472(12) Uani 1 1 d . A .
C17 C 0.1529(3) 0.8044(4) 0.6758(2) 0.0565(14) Uani 1 1 d . . .
C18 C 0.1404(4) 0.8995(4) 0.7177(3) 0.098(2) Uani 1 1 d . . .
H18A H 0.0968 0.8930 0.7261 0.147 Uiso 1 1 calc R . .
H18B H 0.1443 0.9681 0.6969 0.147 Uiso 1 1 calc R . .
H18C H 0.1723 0.8970 0.7565 0.147 Uiso 1 1 calc R . .
C19 C 0.0984(4) 0.8092(5) 0.6167(3) 0.111(3) Uani 1 1 d . . .
H19A H 0.0959 0.8824 0.5997 0.167 Uiso 1 1 calc R . .
H19B H 0.0569 0.7902 0.6271 0.167 Uiso 1 1 calc R . .
H19C H 0.1082 0.7581 0.5863 0.167 Uiso 1 1 calc R . .
C20 C 0.2193(3) 0.8195(5) 0.6597(3) 0.105(3) Uani 1 1 d . . .
H20A H 0.2528 0.8157 0.6973 0.157 Uiso 1 1 calc R . .
H20B H 0.2211 0.8900 0.6402 0.157 Uiso 1 1 calc R . .
H20C H 0.2266 0.7624 0.6314 0.157 Uiso 1 1 calc R . .
C21 C 0.3135(4) 0.6704(8) 0.8347(3) 0.144(2) Uani 1 1 d U . .
H21A H 0.2878 0.6095 0.8149 0.216 Uiso 1 1 calc R . .
H21B H 0.2950 0.7380 0.8160 0.216 Uiso 1 1 calc R . .
H21C H 0.3128 0.6708 0.8786 0.216 Uiso 1 1 calc R . .
C22 C 0.4129(4) 0.5544(5) 0.8559(3) 0.111(2) Uani 1 1 d U . .
H22A H 0.3867 0.4928 0.8378 0.166 Uiso 1 1 calc R . .
H22B H 0.4144 0.5565 0.9002 0.166 Uiso 1 1 calc R . .
H22C H 0.4568 0.5470 0.8485 0.166 Uiso 1 1 calc R . .
C23 C 0.3825(3) 0.6595(5) 0.8263(2) 0.0763(15) Uani 1 1 d U . .
C24 C 0.4232(3) 0.7509(5) 0.8629(3) 0.0987(19) Uani 1 1 d U . .
H24A H 0.4281 0.7371 0.9070 0.148 Uiso 1 1 calc R . .
H24B H 0.4012 0.8202 0.8527 0.148 Uiso 1 1 calc R . .
H24C H 0.4659 0.7534 0.8522 0.148 Uiso 1 1 calc R . .
C25 C 0.3864(2) 0.6632(4) 0.7579(2) 0.0450(12) Uani 1 1 d . A .
C26 C 0.3951(2) 0.6922(4) 0.6511(2) 0.0464(12) Uani 1 1 d . A .
C27 C 0.4040(4) 0.7236(6) 0.5858(3) 0.0846(16) Uani 1 1 d U . .
C28 C 0.3391(4) 0.7656(7) 0.5483(3) 0.142(2) Uani 1 1 d U . .
H28A H 0.3472 0.8121 0.5151 0.213 Uiso 1 1 calc R . .
H28B H 0.3168 0.8070 0.5752 0.213 Uiso 1 1 calc R . .
H28C H 0.3121 0.7044 0.5309 0.213 Uiso 1 1 calc R . .
C29 C 0.4292(4) 0.6309(6) 0.5545(3) 0.123(2) Uani 1 1 d U . .
H29A H 0.4449 0.6572 0.5187 0.185 Uiso 1 1 calc R . .
H29B H 0.3944 0.5785 0.5412 0.185 Uiso 1 1 calc R . .
H29C H 0.4648 0.5961 0.5832 0.185 Uiso 1 1 calc R . .
C30 C 0.4509(3) 0.8189(5) 0.5868(3) 0.0974(19) Uani 1 1 d U . .
H30A H 0.4937 0.7988 0.6104 0.146 Uiso 1 1 calc R . .
H30B H 0.4347 0.8815 0.6060 0.146 Uiso 1 1 calc R . .
H30C H 0.4542 0.8371 0.5447 0.146 Uiso 1 1 calc R . .
C31 C 0.2102(4) 0.5401(6) 0.4153(4) 0.126(3) Uani 1 1 d . . .
H31A H 0.2167 0.5939 0.3849 0.189 Uiso 1 1 calc R . .
H31B H 0.2057 0.4684 0.3963 0.189 Uiso 1 1 calc R . .
H31C H 0.2474 0.5405 0.4498 0.189 Uiso 1 1 calc R . .
C32 C 0.0901(4) 0.5758(6) 0.3840(3) 0.124(3) Uani 1 1 d . . .
H32A H 0.0986 0.6327 0.3561 0.185 Uiso 1 1 calc R . .
H32B H 0.0506 0.5930 0.3987 0.185 Uiso 1 1 calc R . .
H32C H 0.0846 0.5067 0.3621 0.185 Uiso 1 1 calc R . .
C33 C 0.1571(4) 0.6786(5) 0.4713(3) 0.114(3) Uani 1 1 d . . .
H33A H 0.1923 0.6740 0.5074 0.171 Uiso 1 1 calc R . .
H33B H 0.1171 0.6996 0.4840 0.171 Uiso 1 1 calc R . .
H33C H 0.1679 0.7326 0.4428 0.171 Uiso 1 1 calc R . .
C34 C 0.1477(3) 0.5678(5) 0.4391(2) 0.0635(15) Uani 1 1 d . . .
C35 C 0.1352(2) 0.4768(4) 0.4843(2) 0.0468(12) Uani 1 1 d . A .
C36 C 0.1131(2) 0.3172(4) 0.5414(2) 0.0446(12) Uani 1 1 d . A .
C37 C 0.0981(3) 0.2072(4) 0.5700(3) 0.0576(14) Uani 1 1 d . . .
C11' C 0.0548(8) 0.3967(14) 0.7868(9) 0.130(4) Uani 0.534(7) 1 d PU A 2
H11D H 0.0459 0.3387 0.8137 0.196 Uiso 0.534(7) 1 calc PR A 2
H11E H 0.0534 0.3679 0.7455 0.196 Uiso 0.534(7) 1 calc PR A 2
H11F H 0.0221 0.4535 0.7848 0.196 Uiso 0.534(7) 1 calc PR A 2
C12' C 0.1330(10) 0.4871(13) 0.8784(7) 0.127(4) Uani 0.534(7) 1 d PU A 2
H12D H 0.1248 0.4289 0.9057 0.191 Uiso 0.534(7) 1 calc PR A 2
H12E H 0.1028 0.5466 0.8800 0.191 Uiso 0.534(7) 1 calc PR A 2
H12F H 0.1775 0.5130 0.8917 0.191 Uiso 0.534(7) 1 calc PR A 2
C13' C 0.1743(8) 0.3457(12) 0.8136(8) 0.120(3) Uani 0.534(7) 1 d PU A 2
H13D H 0.2186 0.3724 0.8276 0.180 Uiso 0.534(7) 1 calc PR A 2
H13E H 0.1696 0.3157 0.7722 0.180 Uiso 0.534(7) 1 calc PR A 2
H13F H 0.1655 0.2893 0.8417 0.180 Uiso 0.534(7) 1 calc PR A 2
Eu1 Eu 0.256843(11) 0.471618(17) 0.652535(10) 0.03596(9) Uani 1 1 d . A .
K1 K 0.44699(6) 0.41802(11) 0.70448(7) 0.0787(4) Uani 1 1 d . . .
K2 K 0.06401(6) 0.53125(10) 0.61299(6) 0.0695(4) Uani 1 1 d . . .
N1 N 0.1722(2) 0.5151(3) 0.72612(18) 0.0459(10) Uani 1 1 d . A .
N2 N 0.17976(19) 0.6084(3) 0.69203(16) 0.0430(10) Uani 1 1 d . A .
N3 N 0.1712(2) 0.4747(3) 0.54234(17) 0.0469(10) Uani 1 1 d . A .
N4 N 0.15788(19) 0.3831(3) 0.57511(16) 0.0431(10) Uani 1 1 d . A .
N5 N 0.3291(2) 0.3120(3) 0.62374(17) 0.0475(10) Uani 1 1 d . . .
N6 N 0.3259(2) 0.2936(3) 0.68516(17) 0.0455(10) Uani 1 1 d . A .
N7 N 0.35290(19) 0.5888(3) 0.71877(17) 0.0444(10) Uani 1 1 d . . .
N8 N 0.35851(19) 0.6056(3) 0.65776(16) 0.0444(10) Uani 1 1 d . A .
P1 P 0.37692(9) 0.11662(11) 0.64863(7) 0.0684(5) Uani 1 1 d . . .
P2 P 0.08204(8) 0.36464(11) 0.46535(6) 0.0590(4) Uani 1 1 d . . .
P3 P 0.10520(9) 0.66885(12) 0.76824(7) 0.0683(5) Uani 1 1 d . A .
P4 P 0.42690(8) 0.76055(12) 0.72089(7) 0.0618(4) Uani 1 1 d . . .
C1 C 0.3983(6) 0.1381(7) 0.5106(4) 0.076(4) Uani 0.631(12) 1 d PU B 3
H1A H 0.3996 0.1434 0.4670 0.113 Uiso 0.631(12) 1 calc PR B 3
H1B H 0.3786 0.0692 0.5184 0.113 Uiso 0.631(12) 1 calc PR B 3
H1C H 0.4424 0.1419 0.5352 0.113 Uiso 0.631(12) 1 calc PR B 3
C3 C 0.2892(6) 0.2249(12) 0.4902(5) 0.097(4) Uani 0.631(12) 1 d PU B 3
H3A H 0.2640 0.2874 0.4985 0.145 Uiso 0.631(12) 1 calc PR B 3
H3B H 0.2687 0.1586 0.5009 0.145 Uiso 0.631(12) 1 calc PR B 3
H3C H 0.2910 0.2235 0.4466 0.145 Uiso 0.631(12) 1 calc PR B 3
C4 C 0.3937(6) 0.3425(9) 0.5162(5) 0.085(4) Uani 0.631(12) 1 d PU B 3
H4A H 0.4389 0.3397 0.5381 0.128 Uiso 0.631(12) 1 calc PR B 3
H4B H 0.3721 0.4043 0.5309 0.128 Uiso 0.631(12) 1 calc PR B 3
H4C H 0.3920 0.3502 0.4720 0.128 Uiso 0.631(12) 1 calc PR B 3
C3' C 0.2970(8) 0.3036(15) 0.4907(7) 0.059(5) Uani 0.369(12) 1 d PU B 4
H3'1 H 0.3042 0.3802 0.5008 0.088 Uiso 0.369(12) 1 calc PR B 4
H3'2 H 0.2568 0.2799 0.5021 0.088 Uiso 0.369(12) 1 calc PR B 4
H3'3 H 0.2938 0.2932 0.4466 0.088 Uiso 0.369(12) 1 calc PR B 4
C1' C 0.3407(13) 0.1183(15) 0.4966(9) 0.100(8) Uani 0.369(12) 1 d PU B 4
H1'1 H 0.3375 0.1254 0.4522 0.151 Uiso 0.369(12) 1 calc PR B 4
H1'2 H 0.2994 0.0925 0.5047 0.151 Uiso 0.369(12) 1 calc PR B 4
H1'3 H 0.3750 0.0667 0.5133 0.151 Uiso 0.369(12) 1 calc PR B 4
C4' C 0.4204(12) 0.285(2) 0.5228(10) 0.103(8) Uani 0.369(12) 1 d PU B 4
H4'1 H 0.4161 0.3161 0.4817 0.155 Uiso 0.369(12) 1 calc PR B 4
H4'2 H 0.4549 0.2309 0.5295 0.155 Uiso 0.369(12) 1 calc PR B 4
H4'3 H 0.4311 0.3424 0.5536 0.155 Uiso 0.369(12) 1 calc PR B 4
C38 C 0.1583(4) 0.1313(6) 0.5723(5) 0.090(3) Uani 0.830(10) 1 d PU C 5
H38A H 0.1961 0.1625 0.5999 0.136 Uiso 0.830(10) 1 calc PR C 5
H38B H 0.1673 0.1241 0.5310 0.136 Uiso 0.830(10) 1 calc PR C 5
H38C H 0.1491 0.0601 0.5876 0.136 Uiso 0.830(10) 1 calc PR C 5
C39 C 0.0868(5) 0.2234(6) 0.6363(4) 0.086(3) Uani 0.830(10) 1 d PU C 5
H39A H 0.1230 0.2640 0.6605 0.128 Uiso 0.830(10) 1 calc PR C 5
H39B H 0.0837 0.1529 0.6554 0.128 Uiso 0.830(10) 1 calc PR C 5
H39C H 0.0465 0.2635 0.6347 0.128 Uiso 0.830(10) 1 calc PR C 5
C40 C 0.0377(4) 0.1510(6) 0.5304(3) 0.081(3) Uani 0.830(10) 1 d PU C 5
H40A H 0.0310 0.0810 0.5486 0.122 Uiso 0.830(10) 1 calc PR C 5
H40B H 0.0445 0.1403 0.4886 0.122 Uiso 0.830(10) 1 calc PR C 5
H40C H -0.0005 0.1965 0.5292 0.122 Uiso 0.830(10) 1 calc PR C 5
C40' C 0.1579(17) 0.168(2) 0.6192(16) 0.060(10) Uani 0.170(10) 1 d PU C 6
H40D H 0.1632 0.2146 0.6555 0.090 Uiso 0.170(10) 1 calc PR C 6
H40E H 0.1970 0.1719 0.6019 0.090 Uiso 0.170(10) 1 calc PR C 6
H40F H 0.1509 0.0935 0.6309 0.090 Uiso 0.170(10) 1 calc PR C 6
C38' C 0.041(2) 0.227(3) 0.599(2) 0.101(16) Uani 0.170(10) 1 d PU C 6
H38D H 0.0015 0.2026 0.5714 0.152 Uiso 0.170(10) 1 calc PR C 6
H38E H 0.0378 0.3039 0.6077 0.152 Uiso 0.170(10) 1 calc PR C 6
H38F H 0.0467 0.1862 0.6379 0.152 Uiso 0.170(10) 1 calc PR C 6
C39' C 0.092(3) 0.112(3) 0.516(2) 0.111(17) Uani 0.170(10) 1 d PU C 6
H39D H 0.1024 0.0412 0.5359 0.167 Uiso 0.170(10) 1 calc PR C 6
H39E H 0.1225 0.1270 0.4894 0.167 Uiso 0.170(10) 1 calc PR C 6
H39F H 0.0480 0.1103 0.4917 0.167 Uiso 0.170(10) 1 calc PR C 6


_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
C2 C4' 1.48(2) . ?
C2 C3 1.490(11) . ?
C2 C5 1.525(6) . ?
C2 C1 1.525(10) . ?
C2 C1' 1.562(19) . ?
C2 C4 1.578(12) . ?
C2 C3' 1.601(16) . ?
C5 N5 1.323(5) . ?
C5 P1 1.749(5) . ?
C6 N6 1.335(5) . ?
C6 C7 1.512(6) . ?
C6 P1 1.744(5) . ?
C6 K1 3.379(5) . ?
C7 C8 1.495(8) . ?
C7 C10 1.525(7) . ?
C7 C9 1.541(8) . ?
C11 C14 1.512(18) . ?
C12 C14 1.47(2) . ?
C13 C14 1.587(17) . ?
C14 C12' 1.496(16) . ?
C14 C15 1.507(7) . ?
C14 C11' 1.532(17) . ?
C14 C13' 1.598(15) . ?
C15 N1 1.332(6) . ?
C15 P3 1.748(5) . ?
C15 K2 3.398(5) . ?
C16 N2 1.325(5) . ?
C16 C17 1.523(7) . ?
C16 P3 1.747(5) . ?
C16 K2 3.153(5) . ?
C17 C20 1.498(7) . ?
C17 C18 1.527(7) . ?
C17 C19 1.529(7) . ?
C21 C23 1.483(9) . ?
C22 C23 1.507(8) . ?
C23 C25 1.510(7) . ?
C23 C24 1.518(7) . ?
C25 N7 1.334(5) . ?
C25 P4 1.740(5) . ?
C25 K1 3.519(5) . ?
C26 N8 1.321(5) . ?
C26 C27 1.520(7) . ?
C26 P4 1.740(5) . ?
C27 C29 1.466(8) . ?
C27 C30 1.507(8) . ?
C27 C28 1.510(9) . ?
C31 C34 1.526(8) . ?
C32 C34 1.512(7) . ?
C32 K2 3.457(7) 3_566 ?
C33 C34 1.511(8) . ?
C34 C35 1.536(7) . ?
C35 N3 1.331(5) . ?
C35 P2 1.747(5) . ?
C35 K2 3.489(5) . ?
C36 N4 1.327(5) . ?
C36 C37 1.531(6) . ?
C36 P2 1.749(5) . ?
C36 K2 3.297(5) . ?
C37 C38' 1.47(4) . ?
C37 C39 1.523(9) . ?
C37 C40 1.528(8) . ?
C37 C40' 1.54(3) . ?
C37 C38 1.542(9) . ?
C37 C39' 1.64(4) . ?
Eu1 N2 2.570(4) . ?
Eu1 N5 2.601(4) . ?
Eu1 N4 2.604(4) . ?
Eu1 N6 2.608(4) . ?
Eu1 N7 2.624(4) . ?
Eu1 N8 2.643(4) . ?
Eu1 N1 2.659(4) . ?
Eu1 N3 2.678(4) . ?
Eu1 K1 3.9199(13) . ?
Eu1 K2 3.9727(13) . ?
K1 N6 2.881(4) . ?
K1 N7 2.904(4) . ?
K1 N8 2.969(4) . ?
K1 N5 2.992(4) . ?
K1 P4 3.3728(18) 2_646 ?
K2 N2 2.810(4) . ?
K2 N4 2.888(4) . ?
K2 N1 2.978(4) . ?
K2 N3 3.026(4) . ?
K2 P2 3.3966(19) 3_566 ?
K2 C32 3.457(7) 3_566 ?
K2 P3 3.713(2) . ?
N1 N2 1.382(5) . ?
N3 N4 1.379(5) . ?
N5 N6 1.372(5) . ?
N7 N8 1.374(5) . ?
P2 K2 3.3966(19) 3_566 ?
P4 K1 3.3728(18) 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
C4' C2 C3 137.0(10) . . ?
C4' C2 C5 109.2(9) . . ?
C3 C2 C5 108.4(6) . . ?
C4' C2 C1 76.0(10) . . ?
C3 C2 C1 108.6(7) . . ?
C5 C2 C1 111.4(5) . . ?
C4' C2 C1' 117.6(12) . . ?
C3 C2 C1' 66.0(9) . . ?
C5 C2 C1' 110.5(8) . . ?
C1 C2 C1' 45.4(8) . . ?
C4' C2 C4 33.4(9) . . ?
C3 C2 C4 112.7(7) . . ?
C5 C2 C4 109.2(5) . . ?
C1 C2 C4 106.6(7) . . ?
C1' C2 C4 138.1(9) . . ?
C4' C2 C3' 109.6(11) . . ?
C3 C2 C3' 36.3(6) . . ?
C5 C2 C3' 109.7(6) . . ?
C1 C2 C3' 133.5(7) . . ?
C1' C2 C3' 99.7(10) . . ?
C4 C2 C3' 78.8(7) . . ?
N5 C5 C2 119.5(4) . . ?
N5 C5 P1 113.8(3) . . ?
C2 C5 P1 126.6(4) . . ?
N6 C6 C7 119.5(4) . . ?
N6 C6 P1 113.9(3) . . ?
C7 C6 P1 126.5(4) . . ?
N6 C6 K1 57.1(2) . . ?
C7 C6 K1 112.8(3) . . ?
P1 C6 K1 98.76(19) . . ?
C8 C7 C6 109.3(5) . . ?
C8 C7 C10 110.5(5) . . ?
C6 C7 C10 110.8(4) . . ?
C8 C7 C9 108.4(5) . . ?
C6 C7 C9 110.7(5) . . ?
C10 C7 C9 107.1(5) . . ?
C12 C14 C12' 133.9(10) . . ?
C12 C14 C15 114.1(8) . . ?
C12' C14 C15 111.3(7) . . ?
C12 C14 C11 112.4(11) . . ?
C12' C14 C11 57.0(9) . . ?
C15 C14 C11 109.7(8) . . ?
C12 C14 C11' 43.4(8) . . ?
C12' C14 C11' 114.6(11) . . ?
C15 C14 C11' 106.9(7) . . ?
C11 C14 C11' 142.8(10) . . ?
C12 C14 C13 104.4(11) . . ?
C12' C14 C13 50.0(8) . . ?
C15 C14 C13 111.2(7) . . ?
C11 C14 C13 104.6(11) . . ?
C11' C14 C13 67.6(9) . . ?
C12 C14 C13' 63.5(9) . . ?
C12' C14 C13' 106.8(9) . . ?
C15 C14 C13' 111.0(7) . . ?
C11 C14 C13' 53.7(8) . . ?
C11' C14 C13' 106.1(9) . . ?
C13 C14 C13' 137.2(8) . . ?
N1 C15 C14 120.6(5) . . ?
N1 C15 P3 114.6(4) . . ?
C14 C15 P3 124.8(4) . . ?
N1 C15 K2 60.6(3) . . ?
C14 C15 K2 122.9(4) . . ?
P3 C15 K2 86.07(18) . . ?
N2 C16 C17 118.8(4) . . ?
N2 C16 P3 114.4(3) . . ?
C17 C16 P3 126.7(4) . . ?
N2 C16 K2 62.9(2) . . ?
C17 C16 K2 108.0(3) . . ?
P3 C16 K2 94.13(19) . . ?
C20 C17 C16 111.1(5) . . ?
C20 C17 C18 108.8(5) . . ?
C16 C17 C18 109.8(5) . . ?
C20 C17 C19 110.7(6) . . ?
C16 C17 C19 109.5(5) . . ?
C18 C17 C19 106.8(5) . . ?
C21 C23 C22 110.5(6) . . ?
C21 C23 C25 111.4(5) . . ?
C22 C23 C25 110.3(5) . . ?
C21 C23 C24 108.3(6) . . ?
C22 C23 C24 104.9(5) . . ?
C25 C23 C24 111.3(5) . . ?
N7 C25 C23 119.0(4) . . ?
N7 C25 P4 113.6(3) . . ?
C23 C25 P4 127.2(4) . . ?
N7 C25 K1 52.4(2) . . ?
C23 C25 K1 113.3(3) . . ?
P4 C25 K1 100.6(2) . . ?
N8 C26 C27 119.0(4) . . ?
N8 C26 P4 113.9(3) . . ?
C27 C26 P4 127.1(4) . . ?
C29 C27 C30 107.9(6) . . ?
C29 C27 C28 111.7(6) . . ?
C30 C27 C28 104.3(6) . . ?
C29 C27 C26 111.4(5) . . ?
C30 C27 C26 112.3(5) . . ?
C28 C27 C26 109.0(5) . . ?
C34 C32 K2 122.7(4) . 3_566 ?
C33 C34 C32 108.5(6) . . ?
C33 C34 C31 108.4(6) . . ?
C32 C34 C31 109.2(6) . . ?
C33 C34 C35 111.4(5) . . ?
C32 C34 C35 110.3(5) . . ?
C31 C34 C35 108.9(5) . . ?
N3 C35 C34 119.3(4) . . ?
N3 C35 P2 114.3(3) . . ?
C34 C35 P2 126.1(4) . . ?
N3 C35 K2 59.0(3) . . ?
C34 C35 K2 122.2(3) . . ?
P2 C35 K2 89.31(19) . . ?
N4 C36 C37 118.5(4) . . ?
N4 C36 P2 113.9(3) . . ?
C37 C36 P2 127.4(4) . . ?
N4 C36 K2 60.7(2) . . ?
C37 C36 K2 112.8(3) . . ?
P2 C36 K2 95.72(18) . . ?
C38' C37 C39 43.5(18) . . ?
C38' C37 C40 71.3(19) . . ?
C39 C37 C40 109.0(6) . . ?
C38' C37 C36 106.5(16) . . ?
C39 C37 C36 110.9(4) . . ?
C40 C37 C36 111.7(5) . . ?
C38' C37 C40' 110(2) . . ?
C39 C37 C40' 68.7(14) . . ?
C40 C37 C40' 134.9(12) . . ?
C36 C37 C40' 110.6(12) . . ?
C38' C37 C38 142.7(17) . . ?
C39 C37 C38 109.0(6) . . ?
C40 C37 C38 108.4(5) . . ?
C36 C37 C38 107.8(5) . . ?
C40' C37 C38 42.5(13) . . ?
C38' C37 C39' 118(2) . . ?
C39 C37 C39' 140.1(16) . . ?
C40 C37 C39' 49.1(18) . . ?
C36 C37 C39' 108.6(16) . . ?
C40' C37 C39' 102(2) . . ?
C38 C37 C39' 62.8(18) . . ?
N2 Eu1 N5 171.42(12) . . ?
N2 Eu1 N4 91.37(11) . . ?
N5 Eu1 N4 87.19(12) . . ?
N2 Eu1 N6 141.92(11) . . ?
N5 Eu1 N6 30.54(10) . . ?
N4 Eu1 N6 98.60(11) . . ?
N2 Eu1 N7 85.28(12) . . ?
N5 Eu1 N7 97.38(12) . . ?
N4 Eu1 N7 170.74(11) . . ?
N6 Eu1 N7 89.30(11) . . ?
N2 Eu1 N8 97.52(12) . . ?
N5 Eu1 N8 88.69(12) . . ?
N4 Eu1 N8 142.67(11) . . ?
N6 Eu1 N8 96.38(12) . . ?
N7 Eu1 N8 30.23(10) . . ?
N2 Eu1 N1 30.58(10) . . ?
N5 Eu1 N1 140.84(12) . . ?
N4 Eu1 N1 86.83(12) . . ?
N6 Eu1 N1 113.07(11) . . ?
N7 Eu1 N1 94.54(12) . . ?
N8 Eu1 N1 117.96(11) . . ?
N2 Eu1 N3 87.08(11) . . ?
N5 Eu1 N3 95.83(12) . . ?
N4 Eu1 N3 30.21(10) . . ?
N6 Eu1 N3 118.78(11) . . ?
N7 Eu1 N3 140.72(11) . . ?
N8 Eu1 N3 113.91(11) . . ?
N1 Eu1 N3 98.11(12) . . ?
N2 Eu1 K1 131.73(8) . . ?
N5 Eu1 K1 49.73(9) . . ?
N4 Eu1 K1 136.77(8) . . ?
N6 Eu1 K1 47.30(9) . . ?
N7 Eu1 K1 47.81(8) . . ?
N8 Eu1 K1 49.21(8) . . ?
N1 Eu1 K1 127.24(9) . . ?
N3 Eu1 K1 134.64(9) . . ?
N2 Eu1 K2 44.79(8) . . ?
N5 Eu1 K2 133.21(9) . . ?
N4 Eu1 K2 46.58(8) . . ?
N6 Eu1 K2 132.87(9) . . ?
N7 Eu1 K2 129.41(8) . . ?
N8 Eu1 K2 130.73(8) . . ?
N1 Eu1 K2 48.56(9) . . ?
N3 Eu1 K2 49.57(9) . . ?
K1 Eu1 K2 175.77(3) . . ?
N6 K1 N7 78.93(11) . . ?
N6 K1 N8 83.98(11) . . ?
N7 K1 N8 27.02(9) . . ?
N6 K1 N5 26.93(9) . . ?
N7 K1 N5 83.47(11) . . ?
N8 K1 N5 75.92(10) . . ?
N6 K1 P4 109.71(9) . 2_646 ?
N7 K1 P4 145.34(9) . 2_646 ?
N8 K1 P4 164.23(9) . 2_646 ?
N5 K1 P4 119.83(8) . 2_646 ?
N6 K1 C6 22.90(10) . . ?
N7 K1 C6 99.08(12) . . ?
N8 K1 C6 106.87(12) . . ?
N5 K1 C6 40.79(10) . . ?
P4 K1 C6 86.93(9) 2_646 . ?
N6 K1 C25 97.67(11) . . ?
N7 K1 C25 21.34(10) . . ?
N8 K1 C25 39.47(10) . . ?
N5 K1 C25 104.79(11) . . ?
P4 K1 C25 127.80(9) 2_646 . ?
C6 K1 C25 115.00(12) . . ?
N6 K1 Eu1 41.70(7) . . ?
N7 K1 Eu1 42.02(7) . . ?
N8 K1 Eu1 42.38(7) . . ?
N5 K1 Eu1 41.56(7) . . ?
P4 K1 Eu1 149.93(5) 2_646 . ?
C6 K1 Eu1 64.53(9) . . ?
C25 K1 Eu1 63.28(8) . . ?
N2 K2 N4 81.03(11) . . ?
N2 K2 N1 27.42(10) . . ?
N4 K2 N1 76.12(10) . . ?
N2 K2 N3 76.48(11) . . ?
N4 K2 N3 26.83(9) . . ?
N1 K2 N3 84.35(11) . . ?
N2 K2 C16 24.83(11) . . ?
N4 K2 C16 105.50(12) . . ?
N1 K2 C16 43.02(11) . . ?
N3 K2 C16 96.60(12) . . ?
N2 K2 C36 104.27(12) . . ?
N4 K2 C36 23.62(10) . . ?
N1 K2 C36 95.03(11) . . ?
N3 K2 C36 41.54(11) . . ?
C16 K2 C36 128.96(13) . . ?
N2 K2 P2 138.03(9) . 3_566 ?
N4 K2 P2 132.01(9) . 3_566 ?
N1 K2 P2 151.82(9) . 3_566 ?
N3 K2 P2 119.87(9) . 3_566 ?
C16 K2 P2 114.64(9) . 3_566 ?
C36 K2 P2 112.58(9) . 3_566 ?
N2 K2 C15 41.12(11) . . ?
N4 K2 C15 96.43(12) . . ?
N1 K2 C15 22.92(11) . . ?
N3 K2 C15 107.25(12) . . ?
C16 K2 C15 42.59(12) . . ?
C36 K2 C15 111.51(12) . . ?
P2 K2 C15 130.90(10) 3_566 . ?
N2 K2 C32 141.96(14) . 3_566 ?
N4 K2 C32 116.65(16) . 3_566 ?
N1 K2 C32 119.95(13) . 3_566 ?
N3 K2 C32 134.38(16) . 3_566 ?
C16 K2 C32 127.98(17) . 3_566 ?
C36 K2 C32 95.02(17) . 3_566 ?
P2 K2 C32 54.55(11) 3_566 3_566 ?
C15 K2 C32 101.33(14) . 3_566 ?
N2 K2 C35 96.25(12) . . ?
N4 K2 C35 39.91(10) . . ?
N1 K2 C35 106.49(12) . . ?
N3 K2 C35 22.14(10) . . ?
C16 K2 C35 112.63(13) . . ?
C36 K2 C35 41.28(11) . . ?
P2 K2 C35 98.34(9) 3_566 . ?
C15 K2 C35 129.39(13) . . ?
C32 K2 C35 119.17(15) 3_566 . ?
N2 K2 P3 44.21(8) . . ?
N4 K2 P3 119.87(8) . . ?
N1 K2 P3 44.08(8) . . ?
N3 K2 P3 120.68(8) . . ?
C16 K2 P3 27.99(9) . . ?
C36 K2 P3 138.63(9) . . ?
P2 K2 P3 107.79(5) 3_566 . ?
C15 K2 P3 28.01(8) . . ?
C32 K2 P3 101.09(13) 3_566 . ?
C35 K2 P3 139.64(9) . . ?
N2 K2 Eu1 40.12(8) . . ?
N4 K2 Eu1 40.91(7) . . ?
N1 K2 Eu1 42.01(8) . . ?
N3 K2 Eu1 42.35(7) . . ?
C16 K2 Eu1 64.68(9) . . ?
C36 K2 Eu1 64.29(8) . . ?
P2 K2 Eu1 158.11(5) 3_566 . ?
C15 K2 Eu1 64.93(9) . . ?
C32 K2 Eu1 144.78(12) 3_566 . ?
C35 K2 Eu1 64.48(8) . . ?
P3 K2 Eu1 81.43(4) . . ?
C15 N1 N2 111.9(4) . . ?
C15 N1 Eu1 174.0(3) . . ?
N2 N1 Eu1 71.1(2) . . ?
C15 N1 K2 96.5(3) . . ?
N2 N1 K2 69.5(2) . . ?
Eu1 N1 K2 89.43(11) . . ?
C16 N2 N1 112.7(4) . . ?
C16 N2 Eu1 167.5(3) . . ?
N1 N2 Eu1 78.3(2) . . ?
C16 N2 K2 92.2(3) . . ?
N1 N2 K2 83.1(2) . . ?
Eu1 N2 K2 95.10(11) . . ?
C35 N3 N4 112.1(4) . . ?
C35 N3 Eu1 172.8(4) . . ?
N4 N3 Eu1 71.9(2) . . ?
C35 N3 K2 98.9(3) . . ?
N4 N3 K2 71.0(2) . . ?
Eu1 N3 K2 88.08(11) . . ?
C36 N4 N3 113.0(4) . . ?
C36 N4 Eu1 167.2(3) . . ?
N3 N4 Eu1 77.9(2) . . ?
C36 N4 K2 95.7(3) . . ?
N3 N4 K2 82.1(2) . . ?
Eu1 N4 K2 92.50(11) . . ?
C5 N5 N6 113.1(4) . . ?
C5 N5 Eu1 166.1(3) . . ?
N6 N5 Eu1 75.0(2) . . ?
C5 N5 K1 104.5(3) . . ?
N6 N5 K1 72.1(2) . . ?
Eu1 N5 K1 88.71(11) . . ?
C6 N6 N5 112.4(4) . . ?
C6 N6 Eu1 167.8(3) . . ?
N5 N6 Eu1 74.5(2) . . ?
C6 N6 K1 100.0(3) . . ?
N5 N6 K1 81.0(2) . . ?
Eu1 N6 K1 91.00(11) . . ?
C25 N7 N8 112.5(4) . . ?
C25 N7 Eu1 162.6(3) . . ?
N8 N7 Eu1 75.7(2) . . ?
C25 N7 K1 106.3(3) . . ?
N8 N7 K1 79.1(2) . . ?
Eu1 N7 K1 90.17(11) . . ?
C26 N8 N7 112.9(4) . . ?
C26 N8 Eu1 162.6(3) . . ?
N7 N8 Eu1 74.1(2) . . ?
C26 N8 K1 108.8(3) . . ?
N7 N8 K1 73.9(2) . . ?
Eu1 N8 K1 88.41(11) . . ?
C6 P1 C5 86.8(2) . . ?
C35 P2 C36 86.7(2) . . ?
C35 P2 K2 106.36(16) . 3_566 ?
C36 P2 K2 135.72(18) . 3_566 ?
C16 P3 C15 86.3(2) . . ?
C16 P3 K2 57.87(16) . . ?
C15 P3 K2 65.92(17) . . ?
C25 P4 C26 87.1(2) . . ?
C25 P4 K1 124.09(16) . 2_656 ?
C26 P4 K1 144.01(18) . 2_656 ?

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
C4' C2 C5 N5 87.3(12) . . . . ?
C3 C2 C5 N5 -71.3(8) . . . . ?
C1 C2 C5 N5 169.3(7) . . . . ?
C1' C2 C5 N5 -141.8(11) . . . . ?
C4 C2 C5 N5 51.9(8) . . . . ?
C3' C2 C5 N5 -32.8(10) . . . . ?
C4' C2 C5 P1 -94.1(12) . . . . ?
C3 C2 C5 P1 107.3(8) . . . . ?
C1 C2 C5 P1 -12.1(9) . . . . ?
C1' C2 C5 P1 36.8(12) . . . . ?
C4 C2 C5 P1 -129.5(7) . . . . ?
C3' C2 C5 P1 145.8(8) . . . . ?
N6 C6 C7 C8 83.7(6) . . . . ?
P1 C6 C7 C8 -91.3(6) . . . . ?
K1 C6 C7 C8 147.7(4) . . . . ?
N6 C6 C7 C10 -38.3(7) . . . . ?
P1 C6 C7 C10 146.7(4) . . . . ?
K1 C6 C7 C10 25.6(6) . . . . ?
N6 C6 C7 C9 -157.0(5) . . . . ?
P1 C6 C7 C9 28.0(7) . . . . ?
K1 C6 C7 C9 -93.1(5) . . . . ?
C12 C14 C15 N1 -55.0(13) . . . . ?
C12' C14 C15 N1 133.2(10) . . . . ?
C11 C14 C15 N1 72.0(11) . . . . ?
C11' C14 C15 N1 -100.9(10) . . . . ?
C13 C14 C15 N1 -172.8(10) . . . . ?
C13' C14 C15 N1 14.4(11) . . . . ?
C12 C14 C15 P3 128.0(11) . . . . ?
C12' C14 C15 P3 -43.7(11) . . . . ?
C11 C14 C15 P3 -105.0(11) . . . . ?
C11' C14 C15 P3 82.2(10) . . . . ?
C13 C14 C15 P3 10.2(12) . . . . ?
C13' C14 C15 P3 -162.5(8) . . . . ?
C12 C14 C15 K2 17.6(12) . . . . ?
C12' C14 C15 K2 -154.1(9) . . . . ?
C11 C14 C15 K2 144.6(10) . . . . ?
C11' C14 C15 K2 -28.3(10) . . . . ?
C13 C14 C15 K2 -100.2(10) . . . . ?
C13' C14 C15 K2 87.0(9) . . . . ?
N2 C16 C17 C20 -36.2(7) . . . . ?
P3 C16 C17 C20 145.7(5) . . . . ?
K2 C16 C17 C20 -104.7(5) . . . . ?
N2 C16 C17 C18 -156.7(5) . . . . ?
P3 C16 C17 C18 25.2(7) . . . . ?
K2 C16 C17 C18 134.9(4) . . . . ?
N2 C16 C17 C19 86.3(6) . . . . ?
P3 C16 C17 C19 -91.8(6) . . . . ?
K2 C16 C17 C19 17.8(5) . . . . ?
C21 C23 C25 N7 -58.5(7) . . . . ?
C22 C23 C25 N7 64.7(7) . . . . ?
C24 C23 C25 N7 -179.4(5) . . . . ?
C21 C23 C25 P4 117.6(6) . . . . ?
C22 C23 C25 P4 -119.3(5) . . . . ?
C24 C23 C25 P4 -3.4(8) . . . . ?
C21 C23 C25 K1 -117.1(6) . . . . ?
C22 C23 C25 K1 6.0(6) . . . . ?
C24 C23 C25 K1 121.9(5) . . . . ?
N8 C26 C27 C29 -54.6(8) . . . . ?
P4 C26 C27 C29 126.8(6) . . . . ?
N8 C26 C27 C30 -175.8(5) . . . . ?
P4 C26 C27 C30 5.7(8) . . . . ?
N8 C26 C27 C28 69.1(7) . . . . ?
P4 C26 C27 C28 -109.4(6) . . . . ?
K2 C32 C34 C33 -103.5(5) 3_566 . . . ?
K2 C32 C34 C31 138.5(5) 3_566 . . . ?
K2 C32 C34 C35 18.9(7) 3_566 . . . ?
C33 C34 C35 N3 -42.7(7) . . . . ?
C32 C34 C35 N3 -163.3(5) . . . . ?
C31 C34 C35 N3 76.9(7) . . . . ?
C33 C34 C35 P2 143.4(5) . . . . ?
C32 C34 C35 P2 22.8(7) . . . . ?
C31 C34 C35 P2 -97.1(6) . . . . ?
C33 C34 C35 K2 27.2(6) . . . . ?
C32 C34 C35 K2 -93.5(5) . . . . ?
C31 C34 C35 K2 146.7(4) . . . . ?
N4 C36 C37 C38' 94(2) . . . . ?
P2 C36 C37 C38' -91(2) . . . . ?
K2 C36 C37 C38' 26(2) . . . . ?
N4 C36 C37 C39 48.2(7) . . . . ?
P2 C36 C37 C39 -136.9(5) . . . . ?
K2 C36 C37 C39 -19.7(6) . . . . ?
N4 C36 C37 C40 170.0(5) . . . . ?
P2 C36 C37 C40 -15.1(8) . . . . ?
K2 C36 C37 C40 102.1(5) . . . . ?
N4 C36 C37 C40' -26.0(16) . . . . ?
P2 C36 C37 C40' 148.9(15) . . . . ?
K2 C36 C37 C40' -93.9(15) . . . . ?
N4 C36 C37 C38 -71.1(7) . . . . ?
P2 C36 C37 C38 103.8(6) . . . . ?
K2 C36 C37 C38 -138.9(5) . . . . ?
N4 C36 C37 C39' -138(2) . . . . ?
P2 C36 C37 C39' 37(2) . . . . ?
K2 C36 C37 C39' 155(2) . . . . ?
C7 C6 K1 N6 -111.3(5) . . . . ?
P1 C6 K1 N6 112.9(3) . . . . ?
N6 C6 K1 N7 28.6(3) . . . . ?
C7 C6 K1 N7 -82.8(3) . . . . ?
P1 C6 K1 N7 141.43(19) . . . . ?
N6 C6 K1 N8 2.0(3) . . . . ?
C7 C6 K1 N8 -109.3(3) . . . . ?
P1 C6 K1 N8 114.84(19) . . . . ?
N6 C6 K1 N5 -40.2(2) . . . . ?
C7 C6 K1 N5 -151.6(4) . . . . ?
P1 C6 K1 N5 72.6(2) . . . . ?
N6 C6 K1 P4 174.2(3) . . . 2_646 ?
C7 C6 K1 P4 62.9(3) . . . 2_646 ?
P1 C6 K1 P4 -72.92(18) . . . 2_646 ?
N6 C6 K1 C25 43.5(3) . . . . ?
C7 C6 K1 C25 -67.8(4) . . . . ?
P1 C6 K1 C25 156.37(17) . . . . ?
N6 C6 K1 Eu1 4.0(2) . . . . ?
C7 C6 K1 Eu1 -107.3(3) . . . . ?
P1 C6 K1 Eu1 116.9(2) . . . . ?
N7 C25 K1 N6 -28.7(3) . . . . ?
C23 C25 K1 N6 80.9(4) . . . . ?
P4 C25 K1 N6 -140.44(18) . . . . ?
C23 C25 K1 N7 109.6(5) . . . . ?
P4 C25 K1 N7 -111.8(4) . . . . ?
N7 C25 K1 N8 42.0(3) . . . . ?
C23 C25 K1 N8 151.6(4) . . . . ?
P4 C25 K1 N8 -69.7(2) . . . . ?
N7 C25 K1 N5 -2.2(3) . . . . ?
C23 C25 K1 N5 107.4(4) . . . . ?
P4 C25 K1 N5 -113.93(19) . . . . ?
N7 C25 K1 P4 -151.0(3) . . . 2_646 ?
C23 C25 K1 P4 -41.4(4) . . . 2_646 ?
P4 C25 K1 P4 97.20(18) . . . 2_646 ?
N7 C25 K1 C6 -44.4(3) . . . . ?
C23 C25 K1 C6 65.2(4) . . . . ?
P4 C25 K1 C6 -156.12(17) . . . . ?
N7 C25 K1 Eu1 -4.4(3) . . . . ?
C23 C25 K1 Eu1 105.2(4) . . . . ?
P4 C25 K1 Eu1 -116.11(19) . . . . ?
N2 Eu1 K1 N6 127.75(15) . . . . ?
N5 Eu1 K1 N6 -41.04(14) . . . . ?
N4 Eu1 K1 N6 -46.81(16) . . . . ?
N7 Eu1 K1 N6 144.50(15) . . . . ?
N8 Eu1 K1 N6 -174.80(15) . . . . ?
N1 Eu1 K1 N6 88.20(15) . . . . ?
N3 Eu1 K1 N6 -90.53(15) . . . . ?
K2 Eu1 K1 N6 94.3(4) . . . . ?
N2 Eu1 K1 N7 -16.75(15) . . . . ?
N5 Eu1 K1 N7 174.46(15) . . . . ?
N4 Eu1 K1 N7 168.69(16) . . . . ?
N6 Eu1 K1 N7 -144.50(15) . . . . ?
N8 Eu1 K1 N7 40.70(13) . . . . ?
N1 Eu1 K1 N7 -56.30(15) . . . . ?
N3 Eu1 K1 N7 124.97(15) . . . . ?
K2 Eu1 K1 N7 -50.2(4) . . . . ?
N2 Eu1 K1 N8 -57.45(15) . . . . ?
N5 Eu1 K1 N8 133.76(15) . . . . ?
N4 Eu1 K1 N8 127.99(15) . . . . ?
N6 Eu1 K1 N8 174.80(15) . . . . ?
N7 Eu1 K1 N8 -40.70(13) . . . . ?
N1 Eu1 K1 N8 -97.00(14) . . . . ?
N3 Eu1 K1 N8 84.27(15) . . . . ?
K2 Eu1 K1 N8 -90.9(4) . . . . ?
N2 Eu1 K1 N5 168.79(15) . . . . ?
N4 Eu1 K1 N5 -5.77(16) . . . . ?
N6 Eu1 K1 N5 41.04(14) . . . . ?
N7 Eu1 K1 N5 -174.46(15) . . . . ?
N8 Eu1 K1 N5 -133.76(15) . . . . ?
N1 Eu1 K1 N5 129.23(15) . . . . ?
N3 Eu1 K1 N5 -49.50(15) . . . . ?
K2 Eu1 K1 N5 135.3(4) . . . . ?
N2 Eu1 K1 P4 105.63(15) . . . 2_646 ?
N5 Eu1 K1 P4 -63.16(14) . . . 2_646 ?
N4 Eu1 K1 P4 -68.93(16) . . . 2_646 ?
N6 Eu1 K1 P4 -22.12(13) . . . 2_646 ?
N7 Eu1 K1 P4 122.38(15) . . . 2_646 ?
N8 Eu1 K1 P4 163.08(15) . . . 2_646 ?
N1 Eu1 K1 P4 66.07(14) . . . 2_646 ?
N3 Eu1 K1 P4 -112.66(14) . . . 2_646 ?
K2 Eu1 K1 P4 72.2(4) . . . 2_646 ?
N2 Eu1 K1 C6 125.41(14) . . . . ?
N5 Eu1 K1 C6 -43.38(14) . . . . ?
N4 Eu1 K1 C6 -49.15(15) . . . . ?
N6 Eu1 K1 C6 -2.34(14) . . . . ?
N7 Eu1 K1 C6 142.16(14) . . . . ?
N8 Eu1 K1 C6 -177.14(14) . . . . ?
N1 Eu1 K1 C6 85.86(13) . . . . ?
N3 Eu1 K1 C6 -92.87(14) . . . . ?
K2 Eu1 K1 C6 92.0(4) . . . . ?
N2 Eu1 K1 C25 -14.39(14) . . . . ?
N5 Eu1 K1 C25 176.82(14) . . . . ?
N4 Eu1 K1 C25 171.05(14) . . . . ?
N6 Eu1 K1 C25 -142.14(14) . . . . ?
N7 Eu1 K1 C25 2.36(14) . . . . ?
N8 Eu1 K1 C25 43.06(13) . . . . ?
N1 Eu1 K1 C25 -53.94(13) . . . . ?
N3 Eu1 K1 C25 127.33(14) . . . . ?
K2 Eu1 K1 C25 -47.8(4) . . . . ?
C17 C16 K2 N2 113.8(5) . . . . ?
P3 C16 K2 N2 -115.4(3) . . . . ?
N2 C16 K2 N4 -10.0(3) . . . . ?
C17 C16 K2 N4 103.8(3) . . . . ?
P3 C16 K2 N4 -125.41(18) . . . . ?
N2 C16 K2 N1 38.5(2) . . . . ?
C17 C16 K2 N1 152.3(4) . . . . ?
P3 C16 K2 N1 -76.9(2) . . . . ?
N2 C16 K2 N3 -35.8(3) . . . . ?
C17 C16 K2 N3 77.9(3) . . . . ?
P3 C16 K2 N3 -151.23(18) . . . . ?
N2 C16 K2 C36 -6.9(3) . . . . ?
C17 C16 K2 C36 106.8(3) . . . . ?
P3 C16 K2 C36 -122.33(19) . . . . ?
N2 C16 K2 P2 -163.0(2) . . . 3_566 ?
C17 C16 K2 P2 -49.3(3) . . . 3_566 ?
P3 C16 K2 P2 81.56(18) . . . 3_566 ?
N2 C16 K2 C15 72.5(3) . . . . ?
C17 C16 K2 C15 -173.7(4) . . . . ?
P3 C16 K2 C15 -42.86(18) . . . . ?
N2 C16 K2 C32 133.8(3) . . . 3_566 ?
C17 C16 K2 C32 -112.4(3) . . . 3_566 ?
P3 C16 K2 C32 18.4(3) . . . 3_566 ?
N2 C16 K2 C35 -51.7(3) . . . . ?
C17 C16 K2 C35 62.1(3) . . . . ?
P3 C16 K2 C35 -167.09(16) . . . . ?
N2 C16 K2 P3 115.4(3) . . . . ?
C17 C16 K2 P3 -130.8(4) . . . . ?
N2 C16 K2 Eu1 -7.2(2) . . . . ?
C17 C16 K2 Eu1 106.6(3) . . . . ?
P3 C16 K2 Eu1 -122.61(19) . . . . ?
N4 C36 K2 N2 -10.4(3) . . . . ?
C37 C36 K2 N2 100.5(3) . . . . ?
P2 C36 K2 N2 -124.68(18) . . . . ?
C37 C36 K2 N4 111.0(4) . . . . ?
P2 C36 K2 N4 -114.3(3) . . . . ?
N4 C36 K2 N1 -36.6(3) . . . . ?
C37 C36 K2 N1 74.3(3) . . . . ?
P2 C36 K2 N1 -150.91(18) . . . . ?
N4 C36 K2 N3 39.0(2) . . . . ?
C37 C36 K2 N3 149.9(4) . . . . ?
P2 C36 K2 N3 -75.3(2) . . . . ?
N4 C36 K2 C16 -7.4(3) . . . . ?
C37 C36 K2 C16 103.5(3) . . . . ?
P2 C36 K2 C16 -121.69(19) . . . . ?
N4 C36 K2 P2 149.1(2) . . . 3_566 ?
C37 C36 K2 P2 -100.0(3) . . . 3_566 ?
P2 C36 K2 P2 34.8(2) . . . 3_566 ?
N4 C36 K2 C15 -53.1(3) . . . . ?
C37 C36 K2 C15 57.9(4) . . . . ?
P2 C36 K2 C15 -167.35(17) . . . . ?
N4 C36 K2 C32 -157.4(3) . . . 3_566 ?
C37 C36 K2 C32 -46.4(3) . . . 3_566 ?
P2 C36 K2 C32 88.37(19) . . . 3_566 ?
N4 C36 K2 C35 72.7(3) . . . . ?
C37 C36 K2 C35 -176.3(4) . . . . ?
P2 C36 K2 C35 -41.55(17) . . . . ?
N4 C36 K2 P3 -44.3(3) . . . . ?
C37 C36 K2 P3 66.7(4) . . . . ?
P2 C36 K2 P3 -158.56(12) . . . . ?
N4 C36 K2 Eu1 -7.1(2) . . . . ?
C37 C36 K2 Eu1 103.8(3) . . . . ?
P2 C36 K2 Eu1 -121.40(19) . . . . ?
N1 C15 K2 N2 -40.8(3) . . . . ?
C14 C15 K2 N2 -150.2(5) . . . . ?
P3 C15 K2 N2 80.4(2) . . . . ?
N1 C15 K2 N4 27.6(3) . . . . ?
C14 C15 K2 N4 -81.7(4) . . . . ?
P3 C15 K2 N4 148.78(18) . . . . ?
C14 C15 K2 N1 -109.3(5) . . . . ?
P3 C15 K2 N1 121.2(4) . . . . ?
N1 C15 K2 N3 2.4(3) . . . . ?
C14 C15 K2 N3 -106.9(4) . . . . ?
P3 C15 K2 N3 123.64(18) . . . . ?
N1 C15 K2 C16 -78.4(3) . . . . ?
C14 C15 K2 C16 172.3(5) . . . . ?
P3 C15 K2 C16 42.84(18) . . . . ?
N1 C15 K2 C36 46.4(3) . . . . ?
C14 C15 K2 C36 -62.9(5) . . . . ?
P3 C15 K2 C36 167.59(17) . . . . ?
N1 C15 K2 P2 -161.1(2) . . . 3_566 ?
C14 C15 K2 P2 89.6(4) . . . 3_566 ?
P3 C15 K2 P2 -39.9(2) . . . 3_566 ?
N1 C15 K2 C32 146.4(3) . . . 3_566 ?
C14 C15 K2 C32 37.1(5) . . . 3_566 ?
P3 C15 K2 C32 -92.3(2) . . . 3_566 ?
N1 C15 K2 C35 2.6(3) . . . . ?
C14 C15 K2 C35 -106.7(4) . . . . ?
P3 C15 K2 C35 123.77(18) . . . . ?
N1 C15 K2 P3 -121.2(4) . . . . ?
C14 C15 K2 P3 129.5(5) . . . . ?
N1 C15 K2 Eu1 0.7(2) . . . . ?
C14 C15 K2 Eu1 -108.6(4) . . . . ?
P3 C15 K2 Eu1 121.95(19) . . . . ?
N3 C35 K2 N2 26.7(3) . . . . ?
C34 C35 K2 N2 -80.5(4) . . . . ?
P2 C35 K2 N2 145.90(17) . . . . ?
N3 C35 K2 N4 -41.2(3) . . . . ?
C34 C35 K2 N4 -148.5(5) . . . . ?
P2 C35 K2 N4 77.96(19) . . . . ?
N3 C35 K2 N1 0.7(3) . . . . ?
C34 C35 K2 N1 -106.5(4) . . . . ?
P2 C35 K2 N1 119.90(17) . . . . ?
C34 C35 K2 N3 -107.3(5) . . . . ?
P2 C35 K2 N3 119.2(3) . . . . ?
N3 C35 K2 C16 46.1(3) . . . . ?
C34 C35 K2 C16 -61.2(4) . . . . ?
P2 C35 K2 C16 165.26(16) . . . . ?
N3 C35 K2 C36 -77.8(3) . . . . ?
C34 C35 K2 C36 174.9(5) . . . . ?
P2 C35 K2 C36 41.35(16) . . . . ?
N3 C35 K2 P2 167.2(3) . . . 3_566 ?
C34 C35 K2 P2 60.0(4) . . . 3_566 ?
P2 C35 K2 P2 -73.57(16) . . . 3_566 ?
N3 C35 K2 C15 -0.3(3) . . . . ?
C34 C35 K2 C15 -107.6(4) . . . . ?
P2 C35 K2 C15 118.86(18) . . . . ?
N3 C35 K2 C32 -138.9(3) . . . 3_566 ?
C34 C35 K2 C32 113.9(4) . . . 3_566 ?
P2 C35 K2 C32 -19.7(2) . . . 3_566 ?
N3 C35 K2 P3 36.7(3) . . . . ?
C34 C35 K2 P3 -70.5(4) . . . . ?
P2 C35 K2 P3 155.94(11) . . . . ?
N3 C35 K2 Eu1 1.5(2) . . . . ?
C34 C35 K2 Eu1 -105.8(4) . . . . ?
P2 C35 K2 Eu1 120.69(17) . . . . ?
N5 Eu1 K2 N2 168.35(16) . . . . ?
N4 Eu1 K2 N2 179.42(16) . . . . ?
N6 Eu1 K2 N2 126.11(16) . . . . ?
N7 Eu1 K2 N2 -11.73(16) . . . . ?
N8 Eu1 K2 N2 -51.53(16) . . . . ?
N1 Eu1 K2 N2 42.21(14) . . . . ?
N3 Eu1 K2 N2 -139.76(16) . . . . ?
K1 Eu1 K2 N2 35.7(4) . . . . ?
N2 Eu1 K2 N4 -179.42(16) . . . . ?
N5 Eu1 K2 N4 -11.07(16) . . . . ?
N6 Eu1 K2 N4 -53.31(15) . . . . ?
N7 Eu1 K2 N4 168.85(15) . . . . ?
N8 Eu1 K2 N4 129.05(15) . . . . ?
N1 Eu1 K2 N4 -137.21(15) . . . . ?
N3 Eu1 K2 N4 40.82(13) . . . . ?
K1 Eu1 K2 N4 -143.7(4) . . . . ?
N2 Eu1 K2 N1 -42.21(14) . . . . ?
N5 Eu1 K2 N1 126.14(15) . . . . ?
N4 Eu1 K2 N1 137.21(15) . . . . ?
N6 Eu1 K2 N1 83.90(15) . . . . ?
N7 Eu1 K2 N1 -53.94(15) . . . . ?
N8 Eu1 K2 N1 -93.74(15) . . . . ?
N3 Eu1 K2 N1 178.03(15) . . . . ?
K1 Eu1 K2 N1 -6.5(4) . . . . ?
N2 Eu1 K2 N3 139.76(16) . . . . ?
N5 Eu1 K2 N3 -51.89(15) . . . . ?
N4 Eu1 K2 N3 -40.82(13) . . . . ?
N6 Eu1 K2 N3 -94.13(15) . . . . ?
N7 Eu1 K2 N3 128.03(14) . . . . ?
N8 Eu1 K2 N3 88.23(15) . . . . ?
N1 Eu1 K2 N3 -178.03(15) . . . . ?
K1 Eu1 K2 N3 175.5(4) . . . . ?
N2 Eu1 K2 C16 4.69(15) . . . . ?
N5 Eu1 K2 C16 173.04(15) . . . . ?
N4 Eu1 K2 C16 -175.89(15) . . . . ?
N6 Eu1 K2 C16 130.80(14) . . . . ?
N7 Eu1 K2 C16 -7.04(14) . . . . ?
N8 Eu1 K2 C16 -46.84(14) . . . . ?
N1 Eu1 K2 C16 46.90(14) . . . . ?
N3 Eu1 K2 C16 -135.07(14) . . . . ?
K1 Eu1 K2 C16 40.4(4) . . . . ?
N2 Eu1 K2 C36 -175.07(15) . . . . ?
N5 Eu1 K2 C36 -6.72(14) . . . . ?
N4 Eu1 K2 C36 4.36(14) . . . . ?
N6 Eu1 K2 C36 -48.95(14) . . . . ?
N7 Eu1 K2 C36 173.21(13) . . . . ?
N8 Eu1 K2 C36 133.41(13) . . . . ?
N1 Eu1 K2 C36 -132.86(14) . . . . ?
N3 Eu1 K2 C36 45.18(13) . . . . ?
K1 Eu1 K2 C36 -139.3(4) . . . . ?
N2 Eu1 K2 P2 98.10(16) . . . 3_566 ?
N5 Eu1 K2 P2 -93.55(16) . . . 3_566 ?
N4 Eu1 K2 P2 -82.47(16) . . . 3_566 ?
N6 Eu1 K2 P2 -135.78(15) . . . 3_566 ?
N7 Eu1 K2 P2 86.38(16) . . . 3_566 ?
N8 Eu1 K2 P2 46.57(16) . . . 3_566 ?
N1 Eu1 K2 P2 140.31(16) . . . 3_566 ?
N3 Eu1 K2 P2 -41.65(15) . . . 3_566 ?
K1 Eu1 K2 P2 133.8(3) . . . 3_566 ?
N2 Eu1 K2 C15 -42.64(14) . . . . ?
N5 Eu1 K2 C15 125.71(14) . . . . ?
N4 Eu1 K2 C15 136.78(14) . . . . ?
N6 Eu1 K2 C15 83.47(14) . . . . ?
N7 Eu1 K2 C15 -54.37(14) . . . . ?
N8 Eu1 K2 C15 -94.17(14) . . . . ?
N1 Eu1 K2 C15 -0.43(14) . . . . ?
N3 Eu1 K2 C15 177.60(14) . . . . ?
K1 Eu1 K2 C15 -6.9(4) . . . . ?
N2 Eu1 K2 C32 -116.0(3) . . . 3_566 ?
N5 Eu1 K2 C32 52.4(3) . . . 3_566 ?
N4 Eu1 K2 C32 63.4(2) . . . 3_566 ?
N6 Eu1 K2 C32 10.1(3) . . . 3_566 ?
N7 Eu1 K2 C32 -127.7(2) . . . 3_566 ?
N8 Eu1 K2 C32 -167.5(2) . . . 3_566 ?
N1 Eu1 K2 C32 -73.8(2) . . . 3_566 ?
N3 Eu1 K2 C32 104.3(2) . . . 3_566 ?
K1 Eu1 K2 C32 -80.3(4) . . . 3_566 ?
N2 Eu1 K2 C35 138.92(14) . . . . ?
N5 Eu1 K2 C35 -52.73(14) . . . . ?
N4 Eu1 K2 C35 -41.66(13) . . . . ?
N6 Eu1 K2 C35 -94.97(13) . . . . ?
N7 Eu1 K2 C35 127.19(13) . . . . ?
N8 Eu1 K2 C35 87.39(13) . . . . ?
N1 Eu1 K2 C35 -178.87(13) . . . . ?
N3 Eu1 K2 C35 -0.84(14) . . . . ?
K1 Eu1 K2 C35 174.6(4) . . . . ?
N2 Eu1 K2 P3 -18.88(12) . . . . ?
N5 Eu1 K2 P3 149.47(11) . . . . ?
N4 Eu1 K2 P3 160.54(12) . . . . ?
N6 Eu1 K2 P3 107.24(11) . . . . ?
N7 Eu1 K2 P3 -30.61(11) . . . . ?
N8 Eu1 K2 P3 -70.41(11) . . . . ?
N1 Eu1 K2 P3 23.33(11) . . . . ?
N3 Eu1 K2 P3 -158.64(11) . . . . ?
K1 Eu1 K2 P3 16.8(4) . . . . ?
C14 C15 N1 N2 -176.6(5) . . . . ?
P3 C15 N1 N2 0.7(5) . . . . ?
K2 C15 N1 N2 70.5(3) . . . . ?
C14 C15 N1 Eu1 -57(3) . . . . ?
P3 C15 N1 Eu1 120(3) . . . . ?
K2 C15 N1 Eu1 -170(3) . . . . ?
C14 C15 N1 K2 113.0(5) . . . . ?
P3 C15 N1 K2 -69.8(3) . . . . ?
N2 Eu1 N1 C15 -121(3) . . . . ?
N5 Eu1 N1 C15 59(3) . . . . ?
N4 Eu1 N1 C15 141(3) . . . . ?
N6 Eu1 N1 C15 43(3) . . . . ?
N7 Eu1 N1 C15 -48(3) . . . . ?
N8 Eu1 N1 C15 -68(3) . . . . ?
N3 Eu1 N1 C15 169(3) . . . . ?
K1 Eu1 N1 C15 -10(3) . . . . ?
K2 Eu1 N1 C15 170(3) . . . . ?
N5 Eu1 N1 N2 -179.7(2) . . . . ?
N4 Eu1 N1 N2 -98.1(2) . . . . ?
N6 Eu1 N1 N2 163.9(2) . . . . ?
N7 Eu1 N1 N2 72.7(2) . . . . ?
N8 Eu1 N1 N2 52.6(3) . . . . ?
N3 Eu1 N1 N2 -70.0(2) . . . . ?
K1 Eu1 N1 N2 110.9(2) . . . . ?
K2 Eu1 N1 N2 -68.5(2) . . . . ?
N2 Eu1 N1 K2 68.5(2) . . . . ?
N5 Eu1 N1 K2 -111.24(17) . . . . ?
N4 Eu1 N1 K2 -29.61(10) . . . . ?
N6 Eu1 N1 K2 -127.62(11) . . . . ?
N7 Eu1 N1 K2 141.20(10) . . . . ?
N8 Eu1 N1 K2 121.11(11) . . . . ?
N3 Eu1 N1 K2 -1.51(11) . . . . ?
K1 Eu1 N1 K2 179.40(3) . . . . ?
N2 K2 N1 C15 111.0(4) . . . . ?
N4 K2 N1 C15 -151.7(3) . . . . ?
N3 K2 N1 C15 -177.7(3) . . . . ?
C16 K2 N1 C15 76.3(3) . . . . ?
C36 K2 N1 C15 -137.5(3) . . . . ?
P2 K2 N1 C15 31.3(4) 3_566 . . . ?
C32 K2 N1 C15 -38.7(3) 3_566 . . . ?
C35 K2 N1 C15 -177.9(3) . . . . ?
P3 K2 N1 C15 35.3(2) . . . . ?
Eu1 K2 N1 C15 -179.0(3) . . . . ?
N4 K2 N1 N2 97.3(2) . . . . ?
N3 K2 N1 N2 71.4(2) . . . . ?
C16 K2 N1 N2 -34.6(2) . . . . ?
C36 K2 N1 N2 111.6(2) . . . . ?
P2 K2 N1 N2 -79.7(3) 3_566 . . . ?
C15 K2 N1 N2 -111.0(4) . . . . ?
C32 K2 N1 N2 -149.7(3) 3_566 . . . ?
C35 K2 N1 N2 71.1(2) . . . . ?
P3 K2 N1 N2 -75.7(2) . . . . ?
Eu1 K2 N1 N2 70.0(2) . . . . ?
N2 K2 N1 Eu1 -70.0(2) . . . . ?
N4 K2 N1 Eu1 27.27(10) . . . . ?
N3 K2 N1 Eu1 1.33(10) . . . . ?
C16 K2 N1 Eu1 -104.66(19) . . . . ?
C36 K2 N1 Eu1 41.53(12) . . . . ?
P2 K2 N1 Eu1 -149.73(14) 3_566 . . . ?
C15 K2 N1 Eu1 179.0(3) . . . . ?
C32 K2 N1 Eu1 140.28(17) 3_566 . . . ?
C35 K2 N1 Eu1 1.06(13) . . . . ?
P3 K2 N1 Eu1 -145.74(15) . . . . ?
C17 C16 N2 N1 180.0(4) . . . . ?
P3 C16 N2 N1 -1.7(5) . . . . ?
K2 C16 N2 N1 -83.5(3) . . . . ?
C17 C16 N2 Eu1 29.3(17) . . . . ?
P3 C16 N2 Eu1 -152.3(12) . . . . ?
K2 C16 N2 Eu1 125.9(15) . . . . ?
C17 C16 N2 K2 -96.6(4) . . . . ?
P3 C16 N2 K2 81.8(3) . . . . ?
C15 N1 N2 C16 0.7(6) . . . . ?
Eu1 N1 N2 C16 -173.8(4) . . . . ?
K2 N1 N2 C16 89.5(3) . . . . ?
C15 N1 N2 Eu1 174.4(4) . . . . ?
K2 N1 N2 Eu1 -96.69(9) . . . . ?
C15 N1 N2 K2 -88.9(4) . . . . ?
Eu1 N1 N2 K2 96.69(9) . . . . ?
N5 Eu1 N2 C16 153.7(13) . . . . ?
N4 Eu1 N2 C16 -126.1(14) . . . . ?
N6 Eu1 N2 C16 128.1(14) . . . . ?
N7 Eu1 N2 C16 45.3(14) . . . . ?
N8 Eu1 N2 C16 17.6(15) . . . . ?
N1 Eu1 N2 C16 152.5(16) . . . . ?
N3 Eu1 N2 C16 -96.2(14) . . . . ?
K1 Eu1 N2 C16 57.6(15) . . . . ?
K2 Eu1 N2 C16 -125.7(15) . . . . ?
N5 Eu1 N2 N1 1.2(9) . . . . ?
N4 Eu1 N2 N1 81.4(2) . . . . ?
N6 Eu1 N2 N1 -24.4(3) . . . . ?
N7 Eu1 N2 N1 -107.2(2) . . . . ?
N8 Eu1 N2 N1 -134.9(2) . . . . ?
N3 Eu1 N2 N1 111.3(2) . . . . ?
K1 Eu1 N2 N1 -94.8(2) . . . . ?
K2 Eu1 N2 N1 81.9(2) . . . . ?
N5 Eu1 N2 K2 -80.6(8) . . . . ?
N4 Eu1 N2 K2 -0.42(12) . . . . ?
N6 Eu1 N2 K2 -106.26(18) . . . . ?
N7 Eu1 N2 K2 170.93(12) . . . . ?
N8 Eu1 N2 K2 143.24(11) . . . . ?
N1 Eu1 N2 K2 -81.9(2) . . . . ?
N3 Eu1 N2 K2 29.50(12) . . . . ?
K1 Eu1 N2 K2 -176.69(4) . . . . ?
N4 K2 N2 C16 170.2(3) . . . . ?
N1 K2 N2 C16 -112.6(4) . . . . ?
N3 K2 N2 C16 143.3(3) . . . . ?
C36 K2 N2 C16 174.4(3) . . . . ?
P2 K2 N2 C16 23.4(3) 3_566 . . . ?
C15 K2 N2 C16 -79.1(3) . . . . ?
C32 K2 N2 C16 -67.4(4) 3_566 . . . ?
C35 K2 N2 C16 133.2(3) . . . . ?
P3 K2 N2 C16 -37.5(2) . . . . ?
Eu1 K2 N2 C16 169.9(3) . . . . ?
N4 K2 N2 N1 -77.1(2) . . . . ?
N3 K2 N2 N1 -104.1(2) . . . . ?
C16 K2 N2 N1 112.6(4) . . . . ?
C36 K2 N2 N1 -72.9(2) . . . . ?
P2 K2 N2 N1 136.0(2) 3_566 . . . ?
C15 K2 N2 N1 33.6(2) . . . . ?
C32 K2 N2 N1 45.2(4) 3_566 . . . ?
C35 K2 N2 N1 -114.1(2) . . . . ?
P3 K2 N2 N1 75.2(2) . . . . ?
Eu1 K2 N2 N1 -77.5(2) . . . . ?
N4 K2 N2 Eu1 0.38(11) . . . . ?
N1 K2 N2 Eu1 77.5(2) . . . . ?
N3 K2 N2 Eu1 -26.59(11) . . . . ?
C16 K2 N2 Eu1 -169.9(3) . . . . ?
C36 K2 N2 Eu1 4.59(14) . . . . ?
P2 K2 N2 Eu1 -146.50(9) 3_566 . . . ?
C15 K2 N2 Eu1 111.08(19) . . . . ?
C32 K2 N2 Eu1 122.7(2) 3_566 . . . ?
C35 K2 N2 Eu1 -36.63(12) . . . . ?
P3 K2 N2 Eu1 152.69(16) . . . . ?
C34 C35 N3 N4 -174.9(4) . . . . ?
P2 C35 N3 N4 -0.3(5) . . . . ?
K2 C35 N3 N4 73.0(3) . . . . ?
C34 C35 N3 Eu1 -52(3) . . . . ?
P2 C35 N3 Eu1 123(2) . . . . ?
K2 C35 N3 Eu1 -164(3) . . . . ?
C34 C35 N3 K2 112.1(4) . . . . ?
P2 C35 N3 K2 -73.3(3) . . . . ?
N2 Eu1 N3 C35 137(2) . . . . ?
N5 Eu1 N3 C35 -51(2) . . . . ?
N4 Eu1 N3 C35 -125(3) . . . . ?
N6 Eu1 N3 C35 -72(2) . . . . ?
N7 Eu1 N3 C35 58(3) . . . . ?
N8 Eu1 N3 C35 40(3) . . . . ?
N1 Eu1 N3 C35 166(2) . . . . ?
K1 Eu1 N3 C35 -15(3) . . . . ?
K2 Eu1 N3 C35 164(3) . . . . ?
N2 Eu1 N3 N4 -97.8(2) . . . . ?
N5 Eu1 N3 N4 74.1(2) . . . . ?
N6 Eu1 N3 N4 52.8(3) . . . . ?
N7 Eu1 N3 N4 -176.7(2) . . . . ?
N8 Eu1 N3 N4 165.3(2) . . . . ?
N1 Eu1 N3 N4 -69.2(2) . . . . ?
K1 Eu1 N3 N4 109.8(2) . . . . ?
K2 Eu1 N3 N4 -70.7(2) . . . . ?
N2 Eu1 N3 K2 -27.11(11) . . . . ?
N5 Eu1 N3 K2 144.80(11) . . . . ?
N4 Eu1 N3 K2 70.7(2) . . . . ?
N6 Eu1 N3 K2 123.49(11) . . . . ?
N7 Eu1 N3 K2 -106.00(17) . . . . ?
N8 Eu1 N3 K2 -124.05(11) . . . . ?
N1 Eu1 N3 K2 1.49(11) . . . . ?
K1 Eu1 N3 K2 -179.53(4) . . . . ?
N2 K2 N3 C35 -152.6(3) . . . . ?
N4 K2 N3 C35 110.5(4) . . . . ?
N1 K2 N3 C35 -179.3(3) . . . . ?
C16 K2 N3 C35 -138.0(3) . . . . ?
C36 K2 N3 C35 76.5(3) . . . . ?
P2 K2 N3 C35 -14.6(3) 3_566 . . . ?
C15 K2 N3 C35 179.7(3) . . . . ?
C32 K2 N3 C35 53.5(3) 3_566 . . . ?
P3 K2 N3 C35 -153.2(2) . . . . ?
Eu1 K2 N3 C35 -178.0(3) . . . . ?
N2 K2 N3 N4 96.9(2) . . . . ?
N1 K2 N3 N4 70.2(2) . . . . ?
C16 K2 N3 N4 111.5(2) . . . . ?
C36 K2 N3 N4 -33.9(2) . . . . ?
P2 K2 N3 N4 -125.1(2) 3_566 . . . ?
C15 K2 N3 N4 69.3(2) . . . . ?
C32 K2 N3 N4 -57.0(3) 3_566 . . . ?
C35 K2 N3 N4 -110.5(4) . . . . ?
P3 K2 N3 N4 96.3(2) . . . . ?
Eu1 K2 N3 N4 71.5(2) . . . . ?
N2 K2 N3 Eu1 25.35(10) . . . . ?
N4 K2 N3 Eu1 -71.5(2) . . . . ?
N1 K2 N3 Eu1 -1.32(10) . . . . ?
C16 K2 N3 Eu1 39.99(12) . . . . ?
C36 K2 N3 Eu1 -105.49(17) . . . . ?
P2 K2 N3 Eu1 163.40(6) 3_566 . . . ?
C15 K2 N3 Eu1 -2.27(13) . . . . ?
C32 K2 N3 Eu1 -128.55(16) 3_566 . . . ?
C35 K2 N3 Eu1 178.0(3) . . . . ?
P3 K2 N3 Eu1 24.76(12) . . . . ?
C37 C36 N4 N3 174.6(4) . . . . ?
P2 C36 N4 N3 -1.0(5) . . . . ?
K2 C36 N4 N3 -83.9(3) . . . . ?
C37 C36 N4 Eu1 28.1(18) . . . . ?
P2 C36 N4 Eu1 -147.5(13) . . . . ?
K2 C36 N4 Eu1 129.6(15) . . . . ?
C37 C36 N4 K2 -101.6(4) . . . . ?
P2 C36 N4 K2 82.9(3) . . . . ?
C35 N3 N4 C36 0.8(6) . . . . ?
Eu1 N3 N4 C36 -172.8(4) . . . . ?
K2 N3 N4 C36 92.9(4) . . . . ?
C35 N3 N4 Eu1 173.6(4) . . . . ?
K2 N3 N4 Eu1 -94.29(8) . . . . ?
C35 N3 N4 K2 -92.1(4) . . . . ?
Eu1 N3 N4 K2 94.29(8) . . . . ?
N2 Eu1 N4 C36 -129.5(15) . . . . ?
N5 Eu1 N4 C36 42.0(15) . . . . ?
N6 Eu1 N4 C36 13.6(15) . . . . ?
N7 Eu1 N4 C36 161.9(13) . . . . ?
N8 Eu1 N4 C36 126.2(14) . . . . ?
N1 Eu1 N4 C36 -99.3(15) . . . . ?
N3 Eu1 N4 C36 148.7(16) . . . . ?
K1 Eu1 N4 C36 46.4(15) . . . . ?
K2 Eu1 N4 C36 -129.9(15) . . . . ?
N2 Eu1 N4 N3 81.8(2) . . . . ?
N5 Eu1 N4 N3 -106.6(2) . . . . ?
N6 Eu1 N4 N3 -135.1(2) . . . . ?
N7 Eu1 N4 N3 13.2(8) . . . . ?
N8 Eu1 N4 N3 -22.5(3) . . . . ?
N1 Eu1 N4 N3 112.1(2) . . . . ?
K1 Eu1 N4 N3 -102.2(2) . . . . ?
K2 Eu1 N4 N3 81.4(2) . . . . ?
N2 Eu1 N4 K2 0.41(11) . . . . ?
N5 Eu1 N4 K2 171.94(11) . . . . ?
N6 Eu1 N4 K2 143.53(11) . . . . ?
N7 Eu1 N4 K2 -68.2(7) . . . . ?
N8 Eu1 N4 K2 -103.91(18) . . . . ?
N1 Eu1 N4 K2 30.66(11) . . . . ?
N3 Eu1 N4 K2 -81.4(2) . . . . ?
K1 Eu1 N4 K2 176.35(4) . . . . ?
N2 K2 N4 C36 169.8(3) . . . . ?
N1 K2 N4 C36 142.2(3) . . . . ?
N3 K2 N4 C36 -112.5(4) . . . . ?
C16 K2 N4 C36 174.0(3) . . . . ?
P2 K2 N4 C36 -39.7(3) 3_566 . . . ?
C15 K2 N4 C36 131.5(3) . . . . ?
C32 K2 N4 C36 25.4(3) 3_566 . . . ?
C35 K2 N4 C36 -79.1(3) . . . . ?
P3 K2 N4 C36 147.8(2) . . . . ?
Eu1 K2 N4 C36 170.2(3) . . . . ?
N2 K2 N4 N3 -77.7(2) . . . . ?
N1 K2 N4 N3 -105.3(2) . . . . ?
C16 K2 N4 N3 -73.5(2) . . . . ?
C36 K2 N4 N3 112.5(4) . . . . ?
P2 K2 N4 N3 72.8(3) 3_566 . . . ?
C15 K2 N4 N3 -116.0(2) . . . . ?
C32 K2 N4 N3 137.9(2) 3_566 . . . ?
C35 K2 N4 N3 33.4(2) . . . . ?
P3 K2 N4 N3 -99.7(2) . . . . ?
Eu1 K2 N4 N3 -77.4(2) . . . . ?
N2 K2 N4 Eu1 -0.38(10) . . . . ?
N1 K2 N4 Eu1 -27.92(10) . . . . ?
N3 K2 N4 Eu1 77.4(2) . . . . ?
C16 K2 N4 Eu1 3.86(14) . . . . ?
C36 K2 N4 Eu1 -170.2(3) . . . . ?
P2 K2 N4 Eu1 150.17(7) 3_566 . . . ?
C15 K2 N4 Eu1 -38.62(12) . . . . ?
C32 K2 N4 Eu1 -144.75(13) 3_566 . . . ?
C35 K2 N4 Eu1 110.76(19) . . . . ?
P3 K2 N4 Eu1 -22.32(13) . . . . ?
C2 C5 N5 N6 177.3(4) . . . . ?
P1 C5 N5 N6 -1.4(6) . . . . ?
C2 C5 N5 Eu1 54.1(16) . . . . ?
P1 C5 N5 Eu1 -124.7(12) . . . . ?
C2 C5 N5 K1 -106.3(4) . . . . ?
P1 C5 N5 K1 74.9(3) . . . . ?
N2 Eu1 N5 C5 95.5(15) . . . . ?
N4 Eu1 N5 C5 15.0(14) . . . . ?
N6 Eu1 N5 C5 127.2(15) . . . . ?
N7 Eu1 N5 C5 -156.9(14) . . . . ?
N8 Eu1 N5 C5 -127.9(14) . . . . ?
N1 Eu1 N5 C5 96.5(14) . . . . ?
N3 Eu1 N5 C5 -14.0(14) . . . . ?
K1 Eu1 N5 C5 -161.1(14) . . . . ?
K2 Eu1 N5 C5 23.0(14) . . . . ?
N2 Eu1 N5 N6 -31.7(9) . . . . ?
N4 Eu1 N5 N6 -112.2(2) . . . . ?
N7 Eu1 N5 N6 75.9(2) . . . . ?
N8 Eu1 N5 N6 104.9(2) . . . . ?
N1 Eu1 N5 N6 -30.7(3) . . . . ?
N3 Eu1 N5 N6 -141.2(2) . . . . ?
K1 Eu1 N5 N6 71.8(2) . . . . ?
K2 Eu1 N5 N6 -104.2(2) . . . . ?
N2 Eu1 N5 K1 -103.4(8) . . . . ?
N4 Eu1 N5 K1 176.05(11) . . . . ?
N6 Eu1 N5 K1 -71.8(2) . . . . ?
N7 Eu1 N5 K1 4.14(11) . . . . ?
N8 Eu1 N5 K1 33.16(11) . . . . ?
N1 Eu1 N5 K1 -102.45(18) . . . . ?
N3 Eu1 N5 K1 147.06(11) . . . . ?
K2 Eu1 N5 K1 -175.92(4) . . . . ?
N6 K1 N5 C5 -110.0(4) . . . . ?
N7 K1 N5 C5 171.6(3) . . . . ?
N8 K1 N5 C5 145.2(3) . . . . ?
P4 K1 N5 C5 -35.7(3) 2_646 . . . ?
C6 K1 N5 C5 -76.3(3) . . . . ?
C25 K1 N5 C5 172.4(3) . . . . ?
Eu1 K1 N5 C5 175.4(3) . . . . ?
N7 K1 N5 N6 -78.4(2) . . . . ?
N8 K1 N5 N6 -104.8(2) . . . . ?
P4 K1 N5 N6 74.3(2) 2_646 . . . ?
C6 K1 N5 N6 33.7(2) . . . . ?
C25 K1 N5 N6 -77.6(2) . . . . ?
Eu1 K1 N5 N6 -74.6(2) . . . . ?
N6 K1 N5 Eu1 74.6(2) . . . . ?
N7 K1 N5 Eu1 -3.73(10) . . . . ?
N8 K1 N5 Eu1 -30.13(10) . . . . ?
P4 K1 N5 Eu1 148.98(7) 2_646 . . . ?
C6 K1 N5 Eu1 108.35(19) . . . . ?
C25 K1 N5 Eu1 -2.93(13) . . . . ?
C7 C6 N6 N5 -176.2(4) . . . . ?
P1 C6 N6 N5 -0.6(5) . . . . ?
K1 C6 N6 N5 84.3(3) . . . . ?
C7 C6 N6 Eu1 -54.0(16) . . . . ?
P1 C6 N6 Eu1 121.6(13) . . . . ?
K1 C6 N6 Eu1 -153.4(15) . . . . ?
C7 C6 N6 K1 99.5(4) . . . . ?
P1 C6 N6 K1 -85.0(3) . . . . ?
C5 N5 N6 C6 1.3(6) . . . . ?
Eu1 N5 N6 C6 169.3(4) . . . . ?
K1 N5 N6 C6 -97.1(4) . . . . ?
C5 N5 N6 Eu1 -168.0(4) . . . . ?
K1 N5 N6 Eu1 93.57(8) . . . . ?
C5 N5 N6 K1 98.5(4) . . . . ?
Eu1 N5 N6 K1 -93.57(8) . . . . ?
N2 Eu1 N6 C6 46.9(15) . . . . ?
N5 Eu1 N6 C6 -125.8(15) . . . . ?
N4 Eu1 N6 C6 -56.5(14) . . . . ?
N7 Eu1 N6 C6 128.4(14) . . . . ?
N8 Eu1 N6 C6 157.8(14) . . . . ?
N1 Eu1 N6 C6 33.7(14) . . . . ?
N3 Eu1 N6 C6 -80.4(14) . . . . ?
K1 Eu1 N6 C6 153.9(15) . . . . ?
K2 Eu1 N6 C6 -20.4(15) . . . . ?
N2 Eu1 N6 N5 172.7(2) . . . . ?
N4 Eu1 N6 N5 69.3(2) . . . . ?
N7 Eu1 N6 N5 -105.9(2) . . . . ?
N8 Eu1 N6 N5 -76.4(2) . . . . ?
N1 Eu1 N6 N5 159.5(2) . . . . ?
N3 Eu1 N6 N5 45.4(3) . . . . ?
K1 Eu1 N6 N5 -80.4(2) . . . . ?
K2 Eu1 N6 N5 105.4(2) . . . . ?
N2 Eu1 N6 K1 -106.91(18) . . . . ?
N5 Eu1 N6 K1 80.4(2) . . . . ?
N4 Eu1 N6 K1 149.66(11) . . . . ?
N7 Eu1 N6 K1 -25.48(11) . . . . ?
N8 Eu1 N6 K1 3.96(11) . . . . ?
N1 Eu1 N6 K1 -120.12(11) . . . . ?
N3 Eu1 N6 K1 125.74(12) . . . . ?
K2 Eu1 N6 K1 -174.24(4) . . . . ?
N7 K1 N6 C6 -151.2(3) . . . . ?
N8 K1 N6 C6 -178.1(3) . . . . ?
N5 K1 N6 C6 111.3(4) . . . . ?
P4 K1 N6 C6 -6.1(3) 2_646 . . . ?
C25 K1 N6 C6 -141.0(3) . . . . ?
Eu1 K1 N6 C6 -174.6(3) . . . . ?
N7 K1 N6 N5 97.4(2) . . . . ?
N8 K1 N6 N5 70.6(2) . . . . ?
P4 K1 N6 N5 -117.5(2) 2_646 . . . ?
C6 K1 N6 N5 -111.3(4) . . . . ?
C25 K1 N6 N5 107.7(2) . . . . ?
Eu1 K1 N6 N5 74.1(2) . . . . ?
N7 K1 N6 Eu1 23.34(10) . . . . ?
N8 K1 N6 Eu1 -3.52(10) . . . . ?
N5 K1 N6 Eu1 -74.1(2) . . . . ?
P4 K1 N6 Eu1 168.44(7) 2_646 . . . ?
C6 K1 N6 Eu1 174.6(3) . . . . ?
C25 K1 N6 Eu1 33.59(12) . . . . ?
C23 C25 N7 N8 177.0(4) . . . . ?
P4 C25 N7 N8 0.5(5) . . . . ?
K1 C25 N7 N8 -84.7(3) . . . . ?
C23 C25 N7 Eu1 61.9(12) . . . . ?
P4 C25 N7 Eu1 -114.6(10) . . . . ?
K1 C25 N7 Eu1 160.2(11) . . . . ?
C23 C25 N7 K1 -98.3(5) . . . . ?
P4 C25 N7 K1 85.2(3) . . . . ?
N2 Eu1 N7 C25 6.5(10) . . . . ?
N5 Eu1 N7 C25 -165.3(10) . . . . ?
N4 Eu1 N7 C25 75.5(13) . . . . ?
N6 Eu1 N7 C25 -135.8(10) . . . . ?
N8 Eu1 N7 C25 120.3(11) . . . . ?
N1 Eu1 N7 C25 -22.7(10) . . . . ?
N3 Eu1 N7 C25 86.0(10) . . . . ?
K1 Eu1 N7 C25 -161.0(11) . . . . ?
K2 Eu1 N7 C25 14.8(11) . . . . ?
N2 Eu1 N7 N8 -113.8(2) . . . . ?
N5 Eu1 N7 N8 74.4(2) . . . . ?
N4 Eu1 N7 N8 -44.7(8) . . . . ?
N6 Eu1 N7 N8 104.0(2) . . . . ?
N1 Eu1 N7 N8 -142.9(2) . . . . ?
N3 Eu1 N7 N8 -34.2(3) . . . . ?
K1 Eu1 N7 N8 78.7(2) . . . . ?
K2 Eu1 N7 N8 -105.5(2) . . . . ?
N2 Eu1 N7 K1 167.54(11) . . . . ?
N5 Eu1 N7 K1 -4.26(12) . . . . ?
N4 Eu1 N7 K1 -123.4(7) . . . . ?
N6 Eu1 N7 K1 25.27(11) . . . . ?
N8 Eu1 N7 K1 -78.7(2) . . . . ?
N1 Eu1 N7 K1 138.36(11) . . . . ?
N3 Eu1 N7 K1 -112.94(17) . . . . ?
K2 Eu1 N7 K1 175.80(4) . . . . ?
N6 K1 N7 C25 151.0(3) . . . . ?
N8 K1 N7 C25 -110.5(4) . . . . ?
N5 K1 N7 C25 177.9(3) . . . . ?
P4 K1 N7 C25 42.3(4) 2_646 . . . ?
C6 K1 N7 C25 140.1(3) . . . . ?
Eu1 K1 N7 C25 174.2(3) . . . . ?
N6 K1 N7 N8 -98.5(2) . . . . ?
N5 K1 N7 N8 -71.7(2) . . . . ?
P4 K1 N7 N8 152.7(2) 2_646 . . . ?
C6 K1 N7 N8 -109.5(2) . . . . ?
C25 K1 N7 N8 110.5(4) . . . . ?
Eu1 K1 N7 N8 -75.4(2) . . . . ?
N6 K1 N7 Eu1 -23.18(10) . . . . ?
N8 K1 N7 Eu1 75.4(2) . . . . ?
N5 K1 N7 Eu1 3.70(10) . . . . ?
P4 K1 N7 Eu1 -131.92(12) 2_646 . . . ?
C6 K1 N7 Eu1 -34.12(12) . . . . ?
C25 K1 N7 Eu1 -174.2(3) . . . . ?
C27 C26 N8 N7 -178.0(5) . . . . ?
P4 C26 N8 N7 0.7(5) . . . . ?
C27 C26 N8 Eu1 -67.4(12) . . . . ?
P4 C26 N8 Eu1 111.3(10) . . . . ?
C27 C26 N8 K1 102.0(5) . . . . ?
P4 C26 N8 K1 -79.3(3) . . . . ?
C25 N7 N8 C26 -0.7(6) . . . . ?
Eu1 N7 N8 C26 163.0(4) . . . . ?
K1 N7 N8 C26 -104.0(4) . . . . ?
C25 N7 N8 Eu1 -163.8(4) . . . . ?
K1 N7 N8 Eu1 93.00(8) . . . . ?
C25 N7 N8 K1 103.2(3) . . . . ?
Eu1 N7 N8 K1 -93.00(8) . . . . ?
N2 Eu1 N8 C26 -49.4(11) . . . . ?
N5 Eu1 N8 C26 136.6(11) . . . . ?
N4 Eu1 N8 C26 52.9(11) . . . . ?
N6 Eu1 N8 C26 166.2(10) . . . . ?
N7 Eu1 N8 C26 -116.3(11) . . . . ?
N1 Eu1 N8 C26 -73.5(11) . . . . ?
N3 Eu1 N8 C26 40.8(11) . . . . ?
K1 Eu1 N8 C26 170.0(11) . . . . ?
K2 Eu1 N8 C26 -15.6(11) . . . . ?
N2 Eu1 N8 N7 66.9(2) . . . . ?
N5 Eu1 N8 N7 -107.1(2) . . . . ?
N4 Eu1 N8 N7 169.2(2) . . . . ?
N6 Eu1 N8 N7 -77.5(2) . . . . ?
N1 Eu1 N8 N7 42.9(3) . . . . ?
N3 Eu1 N8 N7 157.1(2) . . . . ?
K1 Eu1 N8 N7 -73.7(2) . . . . ?
K2 Eu1 N8 N7 100.7(2) . . . . ?
N2 Eu1 N8 K1 140.62(10) . . . . ?
N5 Eu1 N8 K1 -33.45(11) . . . . ?
N4 Eu1 N8 K1 -117.09(16) . . . . ?
N6 Eu1 N8 K1 -3.84(11) . . . . ?
N7 Eu1 N8 K1 73.7(2) . . . . ?
N1 Eu1 N8 K1 116.54(11) . . . . ?
N3 Eu1 N8 K1 -129.25(11) . . . . ?
K2 Eu1 N8 K1 174.42(4) . . . . ?
N6 K1 N8 C26 -173.4(3) . . . . ?
N7 K1 N8 C26 109.2(4) . . . . ?
N5 K1 N8 C26 -147.2(3) . . . . ?
P4 K1 N8 C26 35.6(5) 2_646 . . . ?
C6 K1 N8 C26 -174.2(3) . . . . ?
C25 K1 N8 C26 76.8(3) . . . . ?
Eu1 K1 N8 C26 -176.9(3) . . . . ?
N6 K1 N8 N7 77.4(2) . . . . ?
N5 K1 N8 N7 103.5(2) . . . . ?
P4 K1 N8 N7 -73.6(4) 2_646 . . . ?
C6 K1 N8 N7 76.6(2) . . . . ?
C25 K1 N8 N7 -32.4(2) . . . . ?
Eu1 K1 N8 N7 73.9(2) . . . . ?
N6 K1 N8 Eu1 3.48(10) . . . . ?
N7 K1 N8 Eu1 -73.9(2) . . . . ?
N5 K1 N8 Eu1 29.60(10) . . . . ?
P4 K1 N8 Eu1 -147.5(3) 2_646 . . . ?
C6 K1 N8 Eu1 2.70(13) . . . . ?
C25 K1 N8 Eu1 -106.36(18) . . . . ?
N6 C6 P1 C5 -0.1(4) . . . . ?
C7 C6 P1 C5 175.1(5) . . . . ?
K1 C6 P1 C5 -58.0(2) . . . . ?
N5 C5 P1 C6 0.9(4) . . . . ?
C2 C5 P1 C6 -177.8(5) . . . . ?
N3 C35 P2 C36 -0.2(4) . . . . ?
C34 C35 P2 C36 174.0(5) . . . . ?
K2 C35 P2 C36 -55.40(18) . . . . ?
N3 C35 P2 K2 136.7(3) . . . 3_566 ?
C34 C35 P2 K2 -49.1(5) . . . 3_566 ?
K2 C35 P2 K2 81.51(10) . . . 3_566 ?
N4 C36 P2 C35 0.7(4) . . . . ?
C37 C36 P2 C35 -174.4(5) . . . . ?
K2 C36 P2 C35 61.08(19) . . . . ?
N4 C36 P2 K2 -109.4(4) . . . 3_566 ?
C37 C36 P2 K2 75.5(5) . . . 3_566 ?
K2 C36 P2 K2 -49.0(2) . . . 3_566 ?
N2 C16 P3 C15 1.7(4) . . . . ?
C17 C16 P3 C15 179.9(5) . . . . ?
K2 C16 P3 C15 63.8(2) . . . . ?
N2 C16 P3 K2 -62.1(3) . . . . ?
C17 C16 P3 K2 116.1(5) . . . . ?
N1 C15 P3 C16 -1.3(4) . . . . ?
C14 C15 P3 C16 175.8(5) . . . . ?
K2 C15 P3 C16 -56.31(18) . . . . ?
N1 C15 P3 K2 55.0(3) . . . . ?
C14 C15 P3 K2 -127.9(5) . . . . ?
N2 K2 P3 C16 33.0(2) . . . . ?
N4 K2 P3 C16 64.9(2) . . . . ?
N1 K2 P3 C16 72.8(2) . . . . ?
N3 K2 P3 C16 33.8(2) . . . . ?
C36 K2 P3 C16 83.7(2) . . . . ?
P2 K2 P3 C16 -109.23(19) 3_566 . . . ?
C15 K2 P3 C16 101.4(3) . . . . ?
C32 K2 P3 C16 -165.3(2) 3_566 . . . ?
C35 K2 P3 C16 18.6(2) . . . . ?
Eu1 K2 P3 C16 50.35(19) . . . . ?
N2 K2 P3 C15 -68.4(2) . . . . ?
N4 K2 P3 C15 -36.4(2) . . . . ?
N1 K2 P3 C15 -28.6(2) . . . . ?
N3 K2 P3 C15 -67.6(2) . . . . ?
C16 K2 P3 C15 -101.4(3) . . . . ?
C36 K2 P3 C15 -17.6(2) . . . . ?
P2 K2 P3 C15 149.4(2) 3_566 . . . ?
C32 K2 P3 C15 93.3(2) 3_566 . . . ?
C35 K2 P3 C15 -82.8(2) . . . . ?
Eu1 K2 P3 C15 -51.01(19) . . . . ?
N7 C25 P4 C26 -0.1(4) . . . . ?
C23 C25 P4 C26 -176.3(5) . . . . ?
K1 C25 P4 C26 53.34(19) . . . . ?
N7 C25 P4 K1 -160.8(3) . . . 2_656 ?
C23 C25 P4 K1 23.0(6) . . . 2_656 ?
K1 C25 P4 K1 -107.37(14) . . . 2_656 ?
N8 C26 P4 C25 -0.3(4) . . . . ?
C27 C26 P4 C25 178.2(5) . . . . ?
N8 C26 P4 K1 151.9(3) . . . 2_656 ?
C27 C26 P4 K1 -29.5(7) . . . 2_656 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.34
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.884
_refine_diff_density_min         -0.528
_refine_diff_density_rms         0.079
####################################################################### 
# 
# 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_compound8
_database_code_depnum_ccdc_archive 'CCDC 1420194'
_audit_update_record             
;
2015-12-02 deposited with the CCDC.
2015-12-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C70 H50 Eu K2 N10 P5, (C7 H8)'
_chemical_formula_sum            'C77 H58 Eu K2 N10 P5'
_chemical_formula_weight         1508.34

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

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'

_cell_length_a                   17.4510(8)
_cell_length_b                   21.6779(9)
_cell_length_c                   22.1731(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     8388.1(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    12960
_cell_measurement_theta_min      3.0320
_cell_measurement_theta_max      26.4160

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.194
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3064
_exptl_absorpt_coefficient_mu    0.986
_exptl_absorpt_correction_T_min  0.40159
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Eos
_diffrn_detector_area_resol_mean 16.0251
_diffrn_measurement_method       'ω scans'
_diffrn_standards_number         50699
_diffrn_standards_interval_count 1
_diffrn_standards_interval_time  151.0800
_diffrn_standards_decay_%        none
_diffrn_reflns_number            46049
_diffrn_reflns_av_R_equivalents  0.0785
_diffrn_reflns_av_unetI/netI     0.1321
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.88
_diffrn_reflns_theta_max         26.37
_reflns_number_total             17091
_reflns_number_gt                10225
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_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. 
Restraints used in the ins file:
simu 0.005 0.005 C29 c33 C34 c31 C30 C32 
htab 2 
conf 
simu 0.005 0.005 c71 c72 C73 c74 c75 C76 C77 
SIMU 0.005 0.005 C43 C44 C45 C46 C47 C48 
shel 999 0.80 
WGHT  0.074800  0.000000 
FVAR  1.248860
;

_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)+(0.0747P)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'
_chemical_absolute_configuration syn
_refine_ls_abs_structure_Flack   -0.007(13)
_refine_ls_number_reflns         17091
_refine_ls_number_parameters     845
_refine_ls_number_restraints     114
_refine_ls_R_factor_all          0.1198
_refine_ls_R_factor_gt           0.0724
_refine_ls_wR_factor_ref         0.1793
_refine_ls_wR_factor_gt          0.1539
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_restrained_S_all      0.999
_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
C1 C -0.0698(6) -0.0190(6) -0.0417(4) 0.081(3) Uani 1 1 d . . .
H1 H -0.0554 -0.0599 -0.0469 0.097 Uiso 1 1 calc R . .
C2 C -0.1145(8) 0.0085(8) -0.0848(5) 0.108(4) Uani 1 1 d . . .
H2 H -0.1308 -0.0142 -0.1180 0.129 Uiso 1 1 calc R . .
C3 C -0.1356(7) 0.0694(9) -0.0793(6) 0.118(5) Uani 1 1 d . . .
H3 H -0.1632 0.0889 -0.1096 0.141 Uiso 1 1 calc R . .
C4 C -0.1150(6) 0.1005(6) -0.0282(5) 0.101(4) Uani 1 1 d . . .
H4 H -0.1321 0.1407 -0.0220 0.121 Uiso 1 1 calc R . .
C5 C -0.0681(6) 0.0719(5) 0.0150(5) 0.075(3) Uani 1 1 d . . .
H5 H -0.0520 0.0941 0.0486 0.090 Uiso 1 1 calc R . .
C6 C -0.0459(5) 0.0119(5) 0.0085(4) 0.068(3) Uani 1 1 d . . .
C7 C 0.0018(5) -0.0212(4) 0.0532(3) 0.053(2) Uani 1 1 d . . .
C8 C 0.0708(5) -0.0843(5) 0.1249(3) 0.056(2) Uani 1 1 d . . .
C9 C 0.1085(5) -0.1276(4) 0.1665(3) 0.056(2) Uani 1 1 d . . .
C10 C 0.1660(6) -0.1106(5) 0.2090(4) 0.072(3) Uani 1 1 d . . .
H10 H 0.1831 -0.0700 0.2107 0.086 Uiso 1 1 calc R . .
C11 C 0.1966(7) -0.1542(6) 0.2477(5) 0.093(4) Uani 1 1 d . . .
H11 H 0.2281 -0.1416 0.2792 0.112 Uiso 1 1 calc R . .
C12 C 0.1807(8) -0.2164(6) 0.2400(6) 0.099(4) Uani 1 1 d . . .
H12 H 0.2062 -0.2458 0.2630 0.118 Uiso 1 1 calc R . .
C13 C 0.1231(8) -0.2352(6) 0.1952(7) 0.122(5) Uani 1 1 d . . .
H13 H 0.1294 -0.2757 0.1763 0.146 Uiso 1 1 calc R . .
C14 C 0.0918(7) -0.1912(5) 0.1626(5) 0.086(3) Uani 1 1 d . . .
H14 H 0.0714 -0.2047 0.1236 0.103 Uiso 1 1 calc R . .
C15 C -0.0628(7) -0.0747(6) 0.3545(5) 0.094(4) Uani 1 1 d . . .
H15 H -0.0407 -0.0672 0.3945 0.112 Uiso 1 1 calc R . .
C16 C -0.1337(8) -0.1036(6) 0.3501(7) 0.109(5) Uani 1 1 d . . .
H16 H -0.1615 -0.1133 0.3873 0.130 Uiso 1 1 calc R . .
C17 C -0.1700(8) -0.1082(8) 0.2987(7) 0.123(6) Uani 1 1 d . . .
H17 H -0.2240 -0.1206 0.2979 0.147 Uiso 1 1 calc R . .
C18 C -0.1332(7) -0.0887(6) 0.2453(6) 0.103(4) Uani 1 1 d . . .
H18 H -0.1618 -0.0888 0.2072 0.124 Uiso 1 1 calc R . .
C19 C -0.0621(7) -0.0605(5) 0.2478(5) 0.078(3) Uani 1 1 d . . .
H19 H -0.0397 -0.0440 0.2106 0.094 Uiso 1 1 calc R . .
C20 C -0.0244(7) -0.0510(4) 0.3024(4) 0.072(3) Uani 1 1 d . . .
C21 C 0.0504(6) -0.0227(4) 0.3050(4) 0.062(2) Uani 1 1 d . . .
C22 C 0.1781(6) 0.0140(4) 0.3220(4) 0.063(2) Uani 1 1 d . . .
C23 C 0.2565(6) 0.0339(5) 0.3366(3) 0.065(3) Uani 1 1 d . . .
C24 C 0.2983(7) 0.0023(5) 0.3810(4) 0.085(3) Uani 1 1 d . . .
H24 H 0.2994 -0.0422 0.3734 0.102 Uiso 1 1 calc R . .
C25 C 0.3698(7) 0.0247(6) 0.3960(5) 0.093(4) Uani 1 1 d . . .
H25 H 0.4073 -0.0089 0.3940 0.112 Uiso 1 1 calc R . .
C26 C 0.4024(8) 0.0798(8) 0.3694(6) 0.131(5) Uani 1 1 d . . .
H26 H 0.4498 0.0955 0.3810 0.158 Uiso 1 1 calc R . .
C27 C 0.3578(7) 0.1071(6) 0.3259(6) 0.106(4) Uani 1 1 d . . .
H27 H 0.3769 0.1414 0.3057 0.127 Uiso 1 1 calc R . .
C28 C 0.2886(6) 0.0864(5) 0.3113(4) 0.075(3) Uani 1 1 d . . .
H28 H 0.2604 0.1081 0.2827 0.091 Uiso 1 1 calc R . .
C29 C 0.4433(7) 0.0541(8) 0.1736(7) 0.136(3) Uani 1 1 d U . .
H29 H 0.4584 0.0876 0.1503 0.163 Uiso 1 1 calc R . .
C30 C 0.4965(9) 0.0255(9) 0.2153(6) 0.144(3) Uani 1 1 d U . .
H30 H 0.5462 0.0408 0.2180 0.173 Uiso 1 1 calc R . .
C31 C 0.4768(9) -0.0208(9) 0.2490(8) 0.141(3) Uani 1 1 d U . .
H31 H 0.5120 -0.0393 0.2748 0.170 Uiso 1 1 calc R . .
C32 C 0.4063(8) -0.0408(8) 0.2458(6) 0.135(3) Uani 1 1 d U . .
H32 H 0.3909 -0.0721 0.2717 0.162 Uiso 1 1 calc R . .
C33 C 0.3527(8) -0.0169(8) 0.2047(6) 0.125(3) Uani 1 1 d U . .
H33 H 0.3041 -0.0343 0.2020 0.150 Uiso 1 1 calc R . .
C34 C 0.3715(7) 0.0315(8) 0.1691(6) 0.122(3) Uani 1 1 d U . .
C35 C 0.3176(5) 0.0570(5) 0.1250(4) 0.070(3) Uani 1 1 d . . .
C36 C 0.2441(5) 0.1031(4) 0.0441(4) 0.063(3) Uani 1 1 d . . .
C37 C 0.2060(5) 0.1288(4) -0.0102(3) 0.057(2) Uani 1 1 d . . .
C38 C 0.1281(6) 0.1217(5) -0.0185(4) 0.073(3) Uani 1 1 d . . .
H38 H 0.0984 0.1009 0.0098 0.087 Uiso 1 1 calc R . .
C39 C 0.0951(7) 0.1467(6) -0.0705(4) 0.093(4) Uani 1 1 d . . .
H39 H 0.0422 0.1446 -0.0754 0.112 Uiso 1 1 calc R . .
C40 C 0.1357(10) 0.1726(7) -0.1119(6) 0.126(6) Uani 1 1 d . . .
H40 H 0.1133 0.1844 -0.1482 0.151 Uiso 1 1 calc R . .
C41 C 0.2136(9) 0.1826(6) -0.1017(5) 0.097(4) Uani 1 1 d . . .
H41 H 0.2416 0.2058 -0.1292 0.117 Uiso 1 1 calc R . .
C42 C 0.2487(6) 0.1598(5) -0.0535(4) 0.071(3) Uani 1 1 d . . .
H42 H 0.3013 0.1646 -0.0488 0.086 Uiso 1 1 calc R . .
C43 C -0.2307(8) 0.1306(8) 0.1588(6) 0.127(3) Uani 1 1 d U . .
H43 H -0.2390 0.1602 0.1293 0.152 Uiso 1 1 calc R . .
C44 C -0.2924(9) 0.0941(9) 0.1834(7) 0.161(3) Uani 1 1 d U . .
H44 H -0.3413 0.0956 0.1666 0.193 Uiso 1 1 calc R . .
C45 C -0.2762(9) 0.0554(8) 0.2343(6) 0.133(3) Uani 1 1 d U . .
H45 H -0.3145 0.0296 0.2489 0.159 Uiso 1 1 calc R . .
C46 C -0.2070(8) 0.0554(7) 0.2619(7) 0.127(3) Uani 1 1 d U . .
H46 H -0.1999 0.0343 0.2979 0.152 Uiso 1 1 calc R . .
C47 C -0.1466(7) 0.0873(8) 0.2356(6) 0.118(3) Uani 1 1 d U . .
H47 H -0.0990 0.0874 0.2543 0.141 Uiso 1 1 calc R . .
C48 C -0.1562(7) 0.1187(7) 0.1823(6) 0.111(3) Uani 1 1 d U . .
C49 C -0.0914(6) 0.1520(5) 0.1531(4) 0.070(3) Uani 1 1 d . . .
C50 C -0.0004(7) 0.2155(5) 0.0970(4) 0.074(3) Uani 1 1 d . . .
C51 C 0.0482(7) 0.2552(5) 0.0616(5) 0.083(3) Uani 1 1 d . . .
C52 C 0.0176(11) 0.2943(7) 0.0224(6) 0.127(6) Uani 1 1 d . . .
H52 H -0.0351 0.2959 0.0166 0.152 Uiso 1 1 calc R . .
C53 C 0.0698(17) 0.3350(10) -0.0119(9) 0.165(9) Uani 1 1 d . . .
H53 H 0.0495 0.3655 -0.0367 0.198 Uiso 1 1 calc R . .
C54 C 0.1430(14) 0.3287(9) -0.0076(8) 0.147(9) Uani 1 1 d . . .
H54 H 0.1746 0.3530 -0.0316 0.176 Uiso 1 1 calc R . .
C55 C 0.1731(10) 0.2904(6) 0.0283(6) 0.117(5) Uani 1 1 d . . .
H55 H 0.2261 0.2873 0.0309 0.140 Uiso 1 1 calc R . .
C56 C 0.1252(8) 0.2516(5) 0.0654(4) 0.089(4) Uani 1 1 d . . .
H56 H 0.1476 0.2239 0.0922 0.107 Uiso 1 1 calc R . .
C57 C 0.3329(6) 0.2874(4) 0.2387(4) 0.143(7) Uani 1 1 d G . .
H57 H 0.3202 0.3040 0.2761 0.171 Uiso 1 1 calc R . .
C58 C 0.3997(5) 0.3059(4) 0.2097(6) 0.161(8) Uani 1 1 d G . .
H58 H 0.4316 0.3349 0.2277 0.193 Uiso 1 1 calc R . .
C59 C 0.4187(5) 0.2810(5) 0.1539(6) 0.161(8) Uani 1 1 d G . .
H59 H 0.4634 0.2934 0.1345 0.193 Uiso 1 1 calc R . .
C60 C 0.3709(7) 0.2377(5) 0.1271(4) 0.137(6) Uani 1 1 d G . .
H60 H 0.3837 0.2211 0.0897 0.164 Uiso 1 1 calc R . .
C61 C 0.3041(6) 0.2192(4) 0.1560(4) 0.127(5) Uani 1 1 d G . .
H61 H 0.2722 0.1902 0.1381 0.152 Uiso 1 1 calc R . .
C62 C 0.2851(4) 0.2440(4) 0.2118(4) 0.094(4) Uani 1 1 d G . .
C63 C 0.2158(7) 0.2221(5) 0.2446(5) 0.082(3) Uani 1 1 d . . .
C64 C 0.1102(7) 0.1952(4) 0.3095(3) 0.071(3) Uani 1 1 d . . .
C65 C 0.0508(7) 0.1786(6) 0.3563(4) 0.080(4) Uani 1 1 d . . .
C66 C 0.0458(7) 0.2151(7) 0.4074(4) 0.099(4) Uani 1 1 d . . .
H66 H 0.0765 0.2496 0.4136 0.119 Uiso 1 1 calc R . .
C67 C -0.0096(11) 0.1956(10) 0.4490(5) 0.139(8) Uani 1 1 d . . .
H67 H -0.0115 0.2167 0.4856 0.167 Uiso 1 1 calc R . .
C68 C -0.0604(12) 0.1497(10) 0.4415(9) 0.152(9) Uani 1 1 d . . .
H68 H -0.0983 0.1408 0.4697 0.182 Uiso 1 1 calc R . .
C69 C -0.0524(9) 0.1180(7) 0.3910(6) 0.123(6) Uani 1 1 d . . .
H69 H -0.0861 0.0856 0.3837 0.148 Uiso 1 1 calc R . .
C70 C 0.0024(8) 0.1302(6) 0.3490(5) 0.099(4) Uani 1 1 d . . .
H70 H 0.0068 0.1052 0.3151 0.118 Uiso 1 1 calc R . .
C71 C 0.2324(10) 0.1726(8) 0.5654(8) 0.141(3) Uani 1 1 d U . .
H71 H 0.2572 0.1996 0.5950 0.170 Uiso 1 1 calc R . .
C72 C 0.1755(11) 0.1338(8) 0.5816(8) 0.142(3) Uani 1 1 d U . .
H72 H 0.1636 0.1323 0.6247 0.170 Uiso 1 1 calc R . .
C73 C 0.1324(10) 0.0988(8) 0.5465(7) 0.142(3) Uani 1 1 d U . .
H73 H 0.0872 0.0766 0.5611 0.171 Uiso 1 1 calc R . .
C74 C 0.1518(10) 0.1029(8) 0.4860(7) 0.139(3) Uani 1 1 d U . .
H74 H 0.1197 0.0799 0.4575 0.167 Uiso 1 1 calc R . .
C75 C 0.2127(10) 0.1392(8) 0.4611(8) 0.137(3) Uani 1 1 d U . .
H75 H 0.2192 0.1441 0.4175 0.164 Uiso 1 1 calc R . .
C76 C 0.2532(11) 0.1749(8) 0.5021(8) 0.144(3) Uani 1 1 d U . .
C77 C 0.3163(10) 0.2094(8) 0.4718(7) 0.157(4) Uani 1 1 d U . .
H77A H 0.3566 0.1814 0.4612 0.235 Uiso 1 1 calc R . .
H77B H 0.3358 0.2404 0.4986 0.235 Uiso 1 1 calc R . .
H77C H 0.2969 0.2288 0.4359 0.235 Uiso 1 1 calc R . .
Eu1 Eu 0.10732(2) 0.08339(2) 0.176207(16) 0.04759(13) Uani 1 1 d . . .
K1 K 0.30191(16) 0.03529(13) 0.53468(12) 0.0932(8) Uani 1 1 d . . .
K2 K 0.03102(18) 0.28572(13) 0.21527(12) 0.0995(9) Uani 1 1 d . . .
N1 N 0.2032(4) 0.0897(3) 0.0937(3) 0.0559(17) Uani 1 1 d . . .
N2 N 0.2417(4) 0.0647(4) 0.1402(3) 0.065(2) Uani 1 1 d . . .
N3 N -0.0197(4) 0.1342(4) 0.1610(3) 0.0551(18) Uani 1 1 d . . .
N4 N 0.0309(4) 0.1672(4) 0.1291(3) 0.0593(19) Uani 1 1 d . . .
N5 N 0.0445(4) 0.0122(4) 0.0929(3) 0.0562(19) Uani 1 1 d . . .
N6 N 0.0838(4) -0.0219(4) 0.1334(3) 0.0551(18) Uani 1 1 d . . .
N7 N 0.0727(4) 0.0146(3) 0.2625(3) 0.0523(19) Uani 1 1 d . . .
N8 N 0.1447(4) 0.0363(3) 0.2713(3) 0.0576(19) Uani 1 1 d . . .
N9 N 0.1706(5) 0.1807(3) 0.2193(3) 0.0579(19) Uani 1 1 d . . .
N10 N 0.1089(5) 0.1657(3) 0.2557(3) 0.0615(18) Uani 1 1 d . . .
P1 P 0.00878(16) -0.09994(12) 0.06641(11) 0.0694(7) Uani 1 1 d . . .
P2 P 0.34060(14) 0.08239(17) 0.05197(12) 0.0795(8) Uani 1 1 d . . .
P3 P 0.1183(2) -0.03572(14) 0.36321(10) 0.0798(9) Uani 1 1 d . . .
P4 P -0.0998(2) 0.21875(16) 0.10625(13) 0.0940(10) Uani 1 1 d . . .
P5 P 0.1870(2) 0.24713(14) 0.31742(13) 0.0888(9) 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
C1 C6 1.364(12) . ?
C1 C2 1.369(15) . ?
C1 H1 0.9300 . ?
C2 C3 1.375(18) . ?
C2 H2 0.9300 . ?
C3 C4 1.366(17) . ?
C3 H3 0.9300 . ?
C4 C5 1.405(13) . ?
C4 H4 0.9300 . ?
C5 C6 1.365(14) . ?
C5 H5 0.9300 . ?
C6 C7 1.480(12) . ?
C7 N5 1.361(11) . ?
C7 P1 1.737(10) . ?
C7 K1 3.464(9) 2_554 ?
C8 N6 1.385(11) . ?
C8 C9 1.470(12) . ?
C8 P1 1.723(8) . ?
C8 K1 3.173(9) 2_554 ?
C9 C14 1.412(12) . ?
C9 C10 1.426(12) . ?
C10 C11 1.383(13) . ?
C10 H10 0.9300 . ?
C11 C12 1.387(15) . ?
C11 H11 0.9300 . ?
C12 C13 1.472(18) . ?
C12 H12 0.9300 . ?
C13 C14 1.315(14) . ?
C13 K2 3.374(13) 3_545 ?
C13 H13 0.9800 . ?
C14 K2 3.490(11) 3_545 ?
C14 H14 0.9800 . ?
C15 C16 1.391(17) . ?
C15 C20 1.432(13) . ?
C15 K2 3.445(13) 3_545 ?
C15 H15 0.9800 . ?
C16 C17 1.306(17) . ?
C16 K2 3.328(13) 3_545 ?
C16 H16 0.9800 . ?
C17 C18 1.412(17) . ?
C17 K2 3.357(16) 3_545 ?
C17 H17 0.9800 . ?
C18 C19 1.384(15) . ?
C18 K2 3.369(14) 3_545 ?
C18 H18 0.9800 . ?
C19 C20 1.393(14) . ?
C19 K2 3.475(11) 3_545 ?
C19 H19 0.9800 . ?
C20 C21 1.444(13) . ?
C21 N7 1.302(10) . ?
C21 P3 1.776(10) . ?
C22 N8 1.356(11) . ?
C22 C23 1.470(13) . ?
C22 P3 1.757(10) . ?
C23 C28 1.387(13) . ?
C23 C24 1.404(12) . ?
C24 C25 1.378(15) . ?
C24 K1 3.482(10) . ?
C24 H24 0.9800 . ?
C25 C26 1.449(17) . ?
C25 K1 3.303(12) . ?
C25 H25 0.9800 . ?
C26 C27 1.374(16) . ?
C26 H26 0.9300 . ?
C27 C28 1.328(14) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C34 1.348(18) . ?
C29 C30 1.449(18) . ?
C29 H29 0.9300 . ?
C30 C31 1.30(2) . ?
C30 H30 0.9300 . ?
C31 C32 1.307(19) . ?
C31 H31 0.9300 . ?
C32 C33 1.404(17) . ?
C32 H32 0.9300 . ?
C33 C34 1.354(19) . ?
C33 H33 0.9300 . ?
C34 C35 1.465(15) . ?
C35 N2 1.377(11) . ?
C35 P2 1.757(10) . ?
C35 K1 3.516(10) 2_554 ?
C36 N1 1.344(9) . ?
C36 C37 1.484(12) . ?
C36 P2 1.751(9) . ?
C36 K1 3.112(10) 2_554 ?
C37 C38 1.380(13) . ?
C37 C42 1.390(12) . ?
C38 C39 1.399(14) . ?
C38 H38 0.9300 . ?
C39 C40 1.287(15) . ?
C39 H39 0.9300 . ?
C40 C41 1.396(18) . ?
C40 H40 0.9300 . ?
C41 C42 1.326(14) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C48 1.423(17) . ?
C43 C44 1.443(19) . ?
C43 H43 0.9300 . ?
C44 C45 1.44(2) . ?
C44 H44 0.9300 . ?
C45 C46 1.354(18) . ?
C45 H45 0.9300 . ?
C46 C47 1.387(18) . ?
C46 H46 0.9300 . ?
C47 C48 1.373(18) . ?
C47 H47 0.9300 . ?
C48 C49 1.491(16) . ?
C49 N3 1.321(11) . ?
C49 P4 1.788(11) . ?
C50 N4 1.377(11) . ?
C50 C51 1.441(15) . ?
C50 P4 1.749(12) . ?
C50 K2 3.081(10) . ?
C51 C52 1.328(16) . ?
C51 C56 1.348(15) . ?
C51 K2 3.483(12) . ?
C52 C53 1.48(3) . ?
C52 H52 0.9300 . ?
C53 C54 1.29(3) . ?
C53 H53 0.9300 . ?
C54 C55 1.26(2) . ?
C54 H54 0.9300 . ?
C55 C56 1.444(16) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C57 C58 1.3900 . ?
C57 C62 1.3900 . ?
C57 H57 0.9300 . ?
C58 C59 1.3900 . ?
C58 H58 0.9300 . ?
C59 C60 1.3900 . ?
C59 H59 0.9300 . ?
C60 C61 1.3900 . ?
C60 H60 0.9300 . ?
C61 C62 1.3900 . ?
C61 H61 0.9300 . ?
C62 C63 1.488(13) . ?
C63 N9 1.320(11) . ?
C63 P5 1.776(12) . ?
C64 N10 1.354(9) . ?
C64 C65 1.510(15) . ?
C64 P5 1.759(12) . ?
C64 K2 3.181(9) . ?
C65 C70 1.357(16) . ?
C65 C66 1.386(14) . ?
C66 C67 1.40(2) . ?
C66 H66 0.9300 . ?
C67 C68 1.34(2) . ?
C67 H67 0.9300 . ?
C68 C69 1.32(2) . ?
C68 H68 0.9300 . ?
C69 C70 1.361(16) . ?
C69 H69 0.9300 . ?
C70 H70 0.9300 . ?
C71 C72 1.35(2) . ?
C71 C76 1.45(2) . ?
C71 K1 3.285(16) . ?
C71 H71 0.9800 . ?
C72 C73 1.32(2) . ?
C72 K1 3.242(16) . ?
C72 H72 0.9800 . ?
C73 C74 1.39(2) . ?
C73 K1 3.273(15) . ?
C73 H73 0.9800 . ?
C74 C75 1.43(2) . ?
C74 K1 3.191(15) . ?
C74 H74 0.9800 . ?
C75 C76 1.39(2) . ?
C75 K1 3.187(14) . ?
C75 H75 0.9800 . ?
C76 C77 1.49(2) . ?
C76 K1 3.225(17) . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 0.9600 . ?
Eu1 N8 2.431(6) . ?
Eu1 N1 2.482(6) . ?
Eu1 N4 2.484(7) . ?
Eu1 N3 2.497(7) . ?
Eu1 N7 2.499(6) . ?
Eu1 N6 2.506(8) . ?
Eu1 N10 2.508(7) . ?
Eu1 N2 2.509(8) . ?
Eu1 N9 2.566(7) . ?
Eu1 N5 2.645(8) . ?
Eu1 K1 4.356(2) 2_554 ?
Eu1 K2 4.665(3) . ?
K1 N6 2.976(7) 2 ?
K1 N1 3.011(8) 2 ?
K1 C36 3.112(10) 2 ?
K1 N5 3.148(7) 2 ?
K1 C8 3.173(9) 2 ?
K1 N2 3.280(8) 2 ?
K2 N10 3.069(8) . ?
K2 N4 3.200(8) . ?
K2 C16 3.328(13) 3 ?
K2 N9 3.335(8) . ?
K2 C17 3.357(16) 3 ?
K2 C18 3.369(14) 3 ?
K2 C13 3.374(13) 3 ?
K2 C15 3.444(13) 3 ?
K2 C19 3.475(11) 3 ?
N1 N2 1.345(9) . ?
N1 K1 3.011(8) 2_554 ?
N2 K1 3.280(8) 2_554 ?
N3 N4 1.339(9) . ?
N5 N6 1.351(9) . ?
N5 K1 3.148(7) 2_554 ?
N6 K1 2.976(7) 2_554 ?
N7 N8 1.355(9) . ?
N9 N10 1.384(10) . ?
P1 K1 3.657(4) 2_554 ?
P2 K1 3.583(4) 2_554 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 C1 C2 122.0(12) . . ?
C6 C1 H1 119.0 . . ?
C2 C1 H1 119.0 . . ?
C1 C2 C3 120.5(12) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 H2 119.7 . . ?
C4 C3 C2 118.6(12) . . ?
C4 C3 H3 120.7 . . ?
C2 C3 H3 120.7 . . ?
C3 C4 C5 120.0(13) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 120.9(11) . . ?
C6 C5 H5 119.5 . . ?
C4 C5 H5 119.5 . . ?
C1 C6 C5 117.9(10) . . ?
C1 C6 C7 118.8(10) . . ?
C5 C6 C7 123.3(9) . . ?
N5 C7 C6 119.0(8) . . ?
N5 C7 P1 112.1(6) . . ?
C6 C7 P1 128.9(7) . . ?
N5 C7 K1 65.3(4) . 2_554 ?
C6 C7 K1 121.3(5) . 2_554 ?
P1 C7 K1 82.2(3) . 2_554 ?
N6 C8 C9 117.7(7) . . ?
N6 C8 P1 113.4(7) . . ?
C9 C8 P1 128.8(7) . . ?
N6 C8 K1 69.1(4) . 2_554 ?
C9 C8 K1 107.2(5) . 2_554 ?
P1 C8 K1 91.8(3) . 2_554 ?
C14 C9 C10 116.0(9) . . ?
C14 C9 C8 119.5(9) . . ?
C10 C9 C8 124.3(8) . . ?
C11 C10 C9 120.3(10) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C12 120.8(10) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
C11 C12 C13 119.2(11) . . ?
C11 C12 H12 120.4 . . ?
C13 C12 H12 120.4 . . ?
C14 C13 C12 117.0(14) . . ?
C14 C13 K2 83.9(8) . 3_545 ?
C12 C13 K2 96.3(8) . 3_545 ?
C14 C13 H13 117.5 . . ?
C12 C13 H13 117.5 . . ?
K2 C13 H13 117.5 3_545 . ?
C13 C14 C9 126.1(12) . . ?
C13 C14 K2 74.0(7) . 3_545 ?
C9 C14 K2 102.6(6) . 3_545 ?
C13 C14 H14 114.8 . . ?
C9 C14 H14 114.8 . . ?
K2 C14 H14 114.8 3_545 . ?
C16 C15 C20 121.3(11) . . ?
C16 C15 K2 73.5(8) . 3_545 ?
C20 C15 K2 82.9(6) . 3_545 ?
C16 C15 H15 119.2 . . ?
C20 C15 H15 119.2 . . ?
K2 C15 H15 119.2 3_545 . ?
C17 C16 C15 121.9(12) . . ?
C17 C16 K2 80.0(10) . 3_545 ?
C15 C16 K2 82.9(8) . 3_545 ?
C17 C16 H16 118.5 . . ?
C15 C16 H16 118.5 . . ?
K2 C16 H16 118.5 3_545 . ?
C16 C17 C18 119.2(13) . . ?
C16 C17 K2 77.5(10) . 3_545 ?
C18 C17 K2 78.4(9) . 3_545 ?
C16 C17 H17 120.2 . . ?
C18 C17 H17 120.2 . . ?
K2 C17 H17 120.2 3_545 . ?
C19 C18 C17 120.4(12) . . ?
C19 C18 K2 82.7(7) . 3_545 ?
C17 C18 K2 77.4(9) . 3_545 ?
C19 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
K2 C18 H18 119.4 3_545 . ?
C18 C19 C20 121.6(11) . . ?
C18 C19 K2 74.1(7) . 3_545 ?
C20 C19 K2 82.2(6) . 3_545 ?
C18 C19 H19 119.1 . . ?
C20 C19 H19 119.1 . . ?
K2 C19 H19 119.1 3_545 . ?
C19 C20 C15 115.4(10) . . ?
C19 C20 C21 121.7(9) . . ?
C15 C20 C21 122.9(10) . . ?
N7 C21 C20 120.4(8) . . ?
N7 C21 P3 115.2(7) . . ?
C20 C21 P3 124.4(7) . . ?
N8 C22 C23 118.6(8) . . ?
N8 C22 P3 113.2(7) . . ?
C23 C22 P3 128.2(7) . . ?
C28 C23 C24 118.2(10) . . ?
C28 C23 C22 121.9(8) . . ?
C24 C23 C22 119.7(10) . . ?
C25 C24 C23 117.9(11) . . ?
C25 C24 K1 71.1(6) . . ?
C23 C24 K1 126.5(7) . . ?
C25 C24 H24 111.7 . . ?
C23 C24 H24 111.7 . . ?
K1 C24 H24 111.7 . . ?
C24 C25 C26 123.2(10) . . ?
C24 C25 K1 85.7(7) . . ?
C26 C25 K1 117.5(9) . . ?
C24 C25 H25 109.4 . . ?
C26 C25 H25 109.4 . . ?
K1 C25 H25 109.4 . . ?
C27 C26 C25 114.7(11) . . ?
C27 C26 H26 122.7 . . ?
C25 C26 H26 122.7 . . ?
C28 C27 C26 122.8(11) . . ?
C28 C27 H27 118.6 . . ?
C26 C27 H27 118.6 . . ?
C27 C28 C23 123.1(10) . . ?
C27 C28 H28 118.4 . . ?
C23 C28 H28 118.4 . . ?
C34 C29 C30 119.2(15) . . ?
C34 C29 H29 120.4 . . ?
C30 C29 H29 120.4 . . ?
C31 C30 C29 121.8(16) . . ?
C31 C30 H30 119.1 . . ?
C29 C30 H30 119.1 . . ?
C30 C31 C32 118.3(17) . . ?
C30 C31 H31 120.8 . . ?
C32 C31 H31 120.8 . . ?
C31 C32 C33 122.7(17) . . ?
C31 C32 H32 118.6 . . ?
C33 C32 H32 118.6 . . ?
C34 C33 C32 120.2(15) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C29 C34 C33 117.6(13) . . ?
C29 C34 C35 120.6(14) . . ?
C33 C34 C35 121.7(12) . . ?
N2 C35 C34 120.0(9) . . ?
N2 C35 P2 114.1(7) . . ?
C34 C35 P2 125.9(8) . . ?
N2 C35 K1 68.8(5) . 2_554 ?
C34 C35 K1 123.1(8) . 2_554 ?
P2 C35 K1 77.8(3) . 2_554 ?
N1 C36 C37 120.4(7) . . ?
N1 C36 P2 112.0(7) . . ?
C37 C36 P2 127.5(6) . . ?
N1 C36 K1 73.1(5) . 2_554 ?
C37 C36 K1 101.0(5) . 2_554 ?
P2 C36 K1 90.4(4) . 2_554 ?
C38 C37 C42 119.3(9) . . ?
C38 C37 C36 120.5(8) . . ?
C42 C37 C36 120.1(8) . . ?
C37 C38 C39 118.2(9) . . ?
C37 C38 H38 120.9 . . ?
C39 C38 H38 120.9 . . ?
C40 C39 C38 122.0(12) . . ?
C40 C39 H39 119.0 . . ?
C38 C39 H39 119.0 . . ?
C39 C40 C41 119.2(13) . . ?
C39 C40 H40 120.4 . . ?
C41 C40 H40 120.4 . . ?
C42 C41 C40 121.5(12) . . ?
C42 C41 H41 119.2 . . ?
C40 C41 H41 119.2 . . ?
C41 C42 C37 119.3(10) . . ?
C41 C42 H42 120.3 . . ?
C37 C42 H42 120.3 . . ?
C48 C43 C44 116.4(15) . . ?
C48 C43 H43 121.8 . . ?
C44 C43 H43 121.8 . . ?
C45 C44 C43 118.0(15) . . ?
C45 C44 H44 121.0 . . ?
C43 C44 H44 121.0 . . ?
C46 C45 C44 122.1(16) . . ?
C46 C45 H45 119.0 . . ?
C44 C45 H45 119.0 . . ?
C45 C46 C47 119.2(15) . . ?
C45 C46 H46 120.4 . . ?
C47 C46 H46 120.4 . . ?
C48 C47 C46 121.0(13) . . ?
C48 C47 H47 119.5 . . ?
C46 C47 H47 119.5 . . ?
C47 C48 C43 121.1(13) . . ?
C47 C48 C49 121.4(11) . . ?
C43 C48 C49 116.5(13) . . ?
N3 C49 C48 121.3(10) . . ?
N3 C49 P4 113.0(8) . . ?
C48 C49 P4 125.6(9) . . ?
N4 C50 C51 120.1(10) . . ?
N4 C50 P4 111.3(8) . . ?
C51 C50 P4 128.6(8) . . ?
N4 C50 K2 82.3(5) . . ?
C51 C50 K2 93.7(7) . . ?
P4 C50 K2 93.3(4) . . ?
C52 C51 C56 118.6(14) . . ?
C52 C51 C50 120.1(13) . . ?
C56 C51 C50 121.2(11) . . ?
C52 C51 K2 119.0(9) . . ?
C56 C51 K2 92.0(7) . . ?
C50 C51 K2 62.0(6) . . ?
C51 C52 C53 118.1(17) . . ?
C51 C52 H52 121.0 . . ?
C53 C52 H52 121.0 . . ?
C54 C53 C52 121(2) . . ?
C54 C53 H53 119.7 . . ?
C52 C53 H53 119.7 . . ?
C55 C54 C53 122(2) . . ?
C55 C54 H54 119.1 . . ?
C53 C54 H54 119.1 . . ?
C54 C55 C56 120.2(17) . . ?
C54 C55 H55 119.9 . . ?
C56 C55 H55 119.9 . . ?
C51 C56 C55 120.5(13) . . ?
C51 C56 H56 119.8 . . ?
C55 C56 H56 119.8 . . ?
C58 C57 C62 120.0 . . ?
C58 C57 H57 120.0 . . ?
C62 C57 H57 120.0 . . ?
C57 C58 C59 120.0 . . ?
C57 C58 H58 120.0 . . ?
C59 C58 H58 120.0 . . ?
C60 C59 C58 120.0 . . ?
C60 C59 H59 120.0 . . ?
C58 C59 H59 120.0 . . ?
C59 C60 C61 120.0 . . ?
C59 C60 H60 120.0 . . ?
C61 C60 H60 120.0 . . ?
C62 C61 C60 120.0 . . ?
C62 C61 H61 120.0 . . ?
C60 C61 H61 120.0 . . ?
C61 C62 C57 120.0 . . ?
C61 C62 C63 120.3(8) . . ?
C57 C62 C63 119.6(8) . . ?
N9 C63 C62 119.7(9) . . ?
N9 C63 P5 115.2(8) . . ?
C62 C63 P5 125.2(7) . . ?
N10 C64 C65 118.8(10) . . ?
N10 C64 P5 113.8(8) . . ?
C65 C64 P5 127.3(7) . . ?
N10 C64 K2 72.9(4) . . ?
C65 C64 K2 107.5(6) . . ?
P5 C64 K2 90.1(4) . . ?
C70 C65 C66 120.0(12) . . ?
C70 C65 C64 122.0(9) . . ?
C66 C65 C64 118.0(12) . . ?
C65 C66 C67 114.2(14) . . ?
C65 C66 H66 122.9 . . ?
C67 C66 H66 122.9 . . ?
C68 C67 C66 126.7(16) . . ?
C68 C67 H67 116.7 . . ?
C66 C67 H67 116.7 . . ?
C69 C68 C67 114.9(16) . . ?
C69 C68 H68 122.6 . . ?
C67 C68 H68 122.6 . . ?
C68 C69 C70 123.6(17) . . ?
C68 C69 H69 118.2 . . ?
C70 C69 H69 118.2 . . ?
C65 C70 C69 120.5(12) . . ?
C65 C70 H70 119.8 . . ?
C69 C70 H70 119.8 . . ?
C72 C71 C76 118(2) . . ?
C72 C71 K1 76.3(11) . . ?
C76 C71 K1 74.8(9) . . ?
C72 C71 H71 121.2 . . ?
C76 C71 H71 121.2 . . ?
K1 C71 H71 121.2 . . ?
C73 C72 C71 128(2) . . ?
C73 C72 K1 79.6(10) . . ?
C71 C72 K1 79.9(11) . . ?
C73 C72 H72 115.9 . . ?
C71 C72 H72 115.9 . . ?
K1 C72 H72 115.9 . . ?
C72 C73 C74 113(2) . . ?
C72 C73 K1 77.0(10) . . ?
C74 C73 K1 74.3(9) . . ?
C72 C73 H73 123.1 . . ?
C74 C73 H73 123.1 . . ?
K1 C73 H73 123.1 . . ?
C73 C74 C75 126.0(18) . . ?
C73 C74 K1 81.0(9) . . ?
C75 C74 K1 76.9(9) . . ?
C73 C74 H74 117.0 . . ?
C75 C74 H74 117.0 . . ?
K1 C74 H74 117.0 . . ?
C76 C75 C74 115.6(18) . . ?
C76 C75 K1 79.0(9) . . ?
C74 C75 K1 77.2(9) . . ?
C76 C75 H75 121.8 . . ?
C74 C75 H75 121.8 . . ?
K1 C75 H75 121.8 . . ?
C75 C76 C71 119(2) . . ?
C75 C76 C77 111.1(18) . . ?
C71 C76 C77 130(2) . . ?
C75 C76 K1 76.0(10) . . ?
C71 C76 K1 79.5(10) . . ?
C77 C76 K1 112.2(11) . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
N8 Eu1 N1 118.8(2) . . ?
N8 Eu1 N4 144.6(2) . . ?
N1 Eu1 N4 90.7(2) . . ?
N8 Eu1 N3 122.7(2) . . ?
N1 Eu1 N3 118.3(2) . . ?
N4 Eu1 N3 31.2(2) . . ?
N8 Eu1 N7 31.9(2) . . ?
N1 Eu1 N7 139.5(2) . . ?
N4 Eu1 N7 128.9(3) . . ?
N3 Eu1 N7 98.7(2) . . ?
N8 Eu1 N6 89.4(2) . . ?
N1 Eu1 N6 83.2(2) . . ?
N4 Eu1 N6 114.8(2) . . ?
N3 Eu1 N6 101.8(2) . . ?
N7 Eu1 N6 72.9(2) . . ?
N8 Eu1 N10 71.8(2) . . ?
N1 Eu1 N10 118.1(3) . . ?
N4 Eu1 N10 77.3(2) . . ?
N3 Eu1 N10 77.9(2) . . ?
N7 Eu1 N10 83.7(2) . . ?
N6 Eu1 N10 156.3(2) . . ?
N8 Eu1 N2 87.6(2) . . ?
N1 Eu1 N2 31.3(2) . . ?
N4 Eu1 N2 119.1(2) . . ?
N3 Eu1 N2 149.0(2) . . ?
N7 Eu1 N2 111.9(2) . . ?
N6 Eu1 N2 83.4(2) . . ?
N10 Eu1 N2 109.1(3) . . ?
N8 Eu1 N9 84.7(2) . . ?
N1 Eu1 N9 86.5(2) . . ?
N4 Eu1 N9 77.6(2) . . ?
N3 Eu1 N9 94.0(2) . . ?
N7 Eu1 N9 108.1(2) . . ?
N6 Eu1 N9 163.8(2) . . ?
N10 Eu1 N9 31.6(2) . . ?
N2 Eu1 N9 81.3(3) . . ?
N8 Eu1 N5 118.1(2) . . ?
N1 Eu1 N5 78.3(2) . . ?
N4 Eu1 N5 84.9(2) . . ?
N3 Eu1 N5 78.2(2) . . ?
N7 Eu1 N5 95.0(2) . . ?
N6 Eu1 N5 30.3(2) . . ?
N10 Eu1 N5 155.6(2) . . ?
N2 Eu1 N5 94.1(2) . . ?
N9 Eu1 N5 156.6(2) . . ?
N8 Eu1 K1 106.19(18) . 2_554 ?
N1 Eu1 K1 42.00(17) . 2_554 ?
N4 Eu1 K1 108.95(16) . 2_554 ?
N3 Eu1 K1 119.06(15) . 2_554 ?
N7 Eu1 K1 106.67(17) . 2_554 ?
N6 Eu1 K1 41.30(15) . 2_554 ?
N10 Eu1 K1 157.3(2) . 2_554 ?
N2 Eu1 K1 48.40(17) . 2_554 ?
N9 Eu1 K1 126.67(18) . 2_554 ?
N5 Eu1 K1 45.81(14) . 2_554 ?
N8 Eu1 K2 108.10(18) . . ?
N1 Eu1 K2 106.09(18) . . ?
N4 Eu1 K2 40.25(17) . . ?
N3 Eu1 K2 50.01(18) . . ?
N7 Eu1 K2 110.48(17) . . ?
N6 Eu1 K2 151.66(15) . . ?
N10 Eu1 K2 37.22(17) . . ?
N2 Eu1 K2 118.51(19) . . ?
N9 Eu1 K2 43.99(18) . . ?
N5 Eu1 K2 124.05(15) . . ?
K1 Eu1 K2 142.45(5) 2_554 . ?
N6 K1 N1 67.17(19) 2 2 ?
N6 K1 C36 91.7(2) 2 2 ?
N1 K1 C36 25.28(17) 2 2 ?
N6 K1 N5 25.30(16) 2 2 ?
N1 K1 N5 63.4(2) 2 2 ?
C36 K1 N5 82.9(2) 2 2 ?
N6 K1 C8 25.8(2) 2 2 ?
N1 K1 C8 92.7(2) 2 2 ?
C36 K1 C8 117.5(2) 2 2 ?
N5 K1 C8 41.8(2) 2 2 ?
N6 K1 C75 140.6(4) 2 . ?
N1 K1 C75 147.6(4) 2 . ?
C36 K1 C75 126.1(4) 2 . ?
N5 K1 C75 149.0(4) 2 . ?
C8 K1 C75 115.4(4) 2 . ?
N6 K1 C74 147.6(3) 2 . ?
N1 K1 C74 122.4(4) 2 . ?
C36 K1 C74 104.7(4) 2 . ?
N5 K1 C74 171.2(4) 2 . ?
C8 K1 C74 129.4(4) 2 . ?
C75 K1 C74 26.0(4) . . ?
N6 K1 C76 115.6(4) 2 . ?
N1 K1 C76 159.1(4) 2 . ?
C36 K1 C76 148.4(4) 2 . ?
N5 K1 C76 128.5(4) 2 . ?
C8 K1 C76 90.6(4) 2 . ?
C75 K1 C76 25.0(4) . . ?
C74 K1 C76 43.7(5) . . ?
N6 K1 C72 106.5(4) 2 . ?
N1 K1 C72 115.7(4) 2 . ?
C36 K1 C72 116.0(4) 2 . ?
N5 K1 C72 131.6(4) 2 . ?
C8 K1 C72 93.1(4) 2 . ?
C75 K1 C72 50.7(4) . . ?
C74 K1 C72 41.1(4) . . ?
C76 K1 C72 43.5(5) . . ?
N6 K1 C73 126.0(3) 2 . ?
N1 K1 C73 108.5(3) 2 . ?
C36 K1 C73 99.6(4) 2 . ?
N5 K1 C73 150.9(3) 2 . ?
C8 K1 C73 116.2(4) 2 . ?
C75 K1 C73 45.7(4) . . ?
C74 K1 C73 24.7(3) . . ?
C76 K1 C73 52.0(5) . . ?
C72 K1 C73 23.4(4) . . ?
N6 K1 N2 64.26(19) 2 2 ?
N1 K1 N2 24.21(17) 2 2 ?
C36 K1 N2 41.9(2) 2 2 ?
N5 K1 N2 71.8(2) 2 2 ?
C8 K1 N2 86.2(2) 2 2 ?
C75 K1 N2 136.0(4) . 2 ?
C74 K1 N2 110.8(4) . 2 ?
C76 K1 N2 136.0(4) . 2 ?
C72 K1 N2 92.8(4) . 2 ?
C73 K1 N2 90.7(3) . 2 ?
N6 K1 C71 100.6(3) 2 . ?
N1 K1 C71 135.6(4) 2 . ?
C36 K1 C71 139.8(4) 2 . ?
N5 K1 C71 121.7(4) 2 . ?
C8 K1 C71 79.9(4) 2 . ?
C75 K1 C71 44.4(4) . . ?
C74 K1 C71 49.5(5) . . ?
C76 K1 C71 25.7(4) . . ?
C72 K1 C71 23.9(4) . . ?
C73 K1 C71 43.0(4) . . ?
N2 K1 C71 111.4(4) 2 . ?
N10 K2 C50 84.7(2) . . ?
N10 K2 C64 24.93(18) . . ?
C50 K2 C64 109.3(2) . . ?
N10 K2 N4 59.61(18) . . ?
C50 K2 N4 25.2(2) . . ?
C64 K2 N4 84.1(2) . . ?
N10 K2 C16 120.0(3) . 3 ?
C50 K2 C16 94.7(3) . 3 ?
C64 K2 C16 119.8(4) . 3 ?
N4 K2 C16 108.6(3) . 3 ?
N10 K2 N9 24.52(18) . . ?
C50 K2 N9 79.3(2) . . ?
C64 K2 N9 40.9(2) . . ?
N4 K2 N9 57.90(19) . . ?
C16 K2 N9 96.3(3) 3 . ?
N10 K2 C17 106.7(3) . 3 ?
C50 K2 C17 112.9(4) . 3 ?
C64 K2 C17 99.8(3) . 3 ?
N4 K2 C17 119.7(3) . 3 ?
C16 K2 C17 22.5(3) 3 3 ?
N9 K2 C17 86.7(3) . 3 ?
N10 K2 C18 112.0(3) . 3 ?
C50 K2 C18 135.6(3) . 3 ?
C64 K2 C18 95.6(3) . 3 ?
N4 K2 C18 143.5(3) . 3 ?
C16 K2 C18 41.0(3) 3 3 ?
N9 K2 C18 99.1(3) . 3 ?
C17 K2 C18 24.2(3) 3 3 ?
N10 K2 C13 93.9(3) . 3 ?
C50 K2 C13 107.0(3) . 3 ?
C64 K2 C13 82.9(4) . 3 ?
N4 K2 C13 104.0(3) . 3 ?
C16 K2 C13 141.5(3) 3 3 ?
N9 K2 C13 118.4(3) . 3 ?
C17 K2 C13 136.3(3) 3 3 ?
C18 K2 C13 112.2(3) 3 3 ?
N10 K2 C15 143.6(3) . 3 ?
C50 K2 C15 94.6(3) . 3 ?
C64 K2 C15 140.1(3) . 3 ?
N4 K2 C15 115.9(2) . 3 ?
C16 K2 C15 23.6(3) 3 3 ?
N9 K2 C15 119.6(2) . 3 ?
C17 K2 C15 40.5(3) 3 3 ?
C18 K2 C15 47.3(3) 3 3 ?
C13 K2 C15 120.7(3) 3 3 ?
N10 K2 C19 132.5(2) . 3 ?
C50 K2 C19 134.6(3) . 3 ?
C64 K2 C19 111.6(3) . 3 ?
N4 K2 C19 155.6(2) . 3 ?
C16 K2 C19 47.7(3) 3 3 ?
N9 K2 C19 122.3(3) . 3 ?
C17 K2 C19 41.6(3) 3 3 ?
C18 K2 C19 23.3(3) 3 3 ?
C13 K2 C19 96.6(3) 3 3 ?
C15 K2 C19 40.4(3) 3 3 ?
N10 K2 C51 94.9(2) . . ?
C50 K2 C51 24.4(3) . . ?
C64 K2 C51 119.2(3) . . ?
N4 K2 C51 42.6(2) . . ?
C16 K2 C51 70.4(3) 3 . ?
N9 K2 C51 80.4(2) . . ?
C17 K2 C51 88.7(3) 3 . ?
C18 K2 C51 111.2(3) 3 . ?
C13 K2 C51 128.2(3) 3 . ?
C15 K2 C51 73.4(3) 3 . ?
C19 K2 C51 113.6(3) 3 . ?
C36 N1 N2 116.7(7) . . ?
C36 N1 Eu1 166.8(6) . . ?
N2 N1 Eu1 75.5(4) . . ?
C36 N1 K1 81.6(5) . 2_554 ?
N2 N1 K1 89.2(5) . 2_554 ?
Eu1 N1 K1 104.5(2) . 2_554 ?
N1 N2 C35 109.9(7) . . ?
N1 N2 Eu1 73.3(4) . . ?
C35 N2 Eu1 175.0(6) . . ?
N1 N2 K1 66.6(4) . 2_554 ?
C35 N2 K1 88.2(5) . 2_554 ?
Eu1 N2 K1 96.7(2) . 2_554 ?
C49 N3 N4 113.5(7) . . ?
C49 N3 Eu1 170.8(7) . . ?
N4 N3 Eu1 73.9(4) . . ?
N3 N4 C50 114.7(8) . . ?
N3 N4 Eu1 75.0(4) . . ?
C50 N4 Eu1 170.1(7) . . ?
N3 N4 K2 96.6(5) . . ?
C50 N4 K2 72.5(5) . . ?
Eu1 N4 K2 109.6(2) . . ?
N6 N5 C7 114.6(7) . . ?
N6 N5 Eu1 69.2(4) . . ?
C7 N5 Eu1 171.3(6) . . ?
N6 N5 K1 70.2(4) . 2_554 ?
C7 N5 K1 91.6(5) . 2_554 ?
Eu1 N5 K1 97.1(2) . 2_554 ?
N5 N6 C8 111.2(7) . . ?
N5 N6 Eu1 80.6(5) . . ?
C8 N6 Eu1 165.6(5) . . ?
N5 N6 K1 84.5(4) . 2_554 ?
C8 N6 K1 85.1(5) . 2_554 ?
Eu1 N6 K1 104.9(2) . 2_554 ?
C21 N7 N8 112.8(7) . . ?
C21 N7 Eu1 175.7(6) . . ?
N8 N7 Eu1 71.3(4) . . ?
N7 N8 C22 113.3(7) . . ?
N7 N8 Eu1 76.8(4) . . ?
C22 N8 Eu1 169.7(7) . . ?
C63 N9 N10 112.1(8) . . ?
C63 N9 Eu1 167.0(7) . . ?
N10 N9 Eu1 71.9(4) . . ?
C63 N9 K2 89.1(6) . . ?
N10 N9 K2 66.9(4) . . ?
Eu1 N9 K2 103.7(3) . . ?
C64 N10 N9 113.0(8) . . ?
C64 N10 Eu1 162.8(6) . . ?
N9 N10 Eu1 76.5(4) . . ?
C64 N10 K2 82.2(5) . . ?
N9 N10 K2 88.6(4) . . ?
Eu1 N10 K2 113.2(2) . . ?
C8 P1 C7 88.7(4) . . ?
C8 P1 K1 60.1(3) . 2_554 ?
C7 P1 K1 69.8(3) . 2_554 ?
C36 P2 C35 87.3(4) . . ?
C36 P2 K1 60.3(3) . 2_554 ?
C35 P2 K1 73.6(3) . 2_554 ?
C22 P3 C21 85.4(4) . . ?
C50 P4 C49 87.3(5) . . ?
C50 P4 K2 58.0(3) . . ?
C49 P4 K2 83.4(3) . . ?
C64 P5 C63 85.9(4) . . ?
C64 P5 K2 61.0(3) . . ?
C63 P5 K2 73.5(4) . . ?

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
C6 C1 C2 C3 1(2) . . . . ?
C1 C2 C3 C4 -4(2) . . . . ?
C2 C3 C4 C5 5(2) . . . . ?
C3 C4 C5 C6 -3.6(18) . . . . ?
C2 C1 C6 C5 0.2(16) . . . . ?
C2 C1 C6 C7 179.5(10) . . . . ?
C4 C5 C6 C1 0.9(15) . . . . ?
C4 C5 C6 C7 -178.4(9) . . . . ?
C1 C6 C7 N5 160.4(8) . . . . ?
C5 C6 C7 N5 -20.3(13) . . . . ?
C1 C6 C7 P1 -23.3(13) . . . . ?
C5 C6 C7 P1 156.0(8) . . . . ?
C1 C6 C7 K1 83.2(10) . . . 2_554 ?
C5 C6 C7 K1 -97.4(10) . . . 2_554 ?
N6 C8 C9 C14 174.8(8) . . . . ?
P1 C8 C9 C14 -3.3(13) . . . . ?
K1 C8 C9 C14 -110.2(8) 2_554 . . . ?
N6 C8 C9 C10 -9.7(12) . . . . ?
P1 C8 C9 C10 172.2(7) . . . . ?
K1 C8 C9 C10 65.3(9) 2_554 . . . ?
C14 C9 C10 C11 -6.4(14) . . . . ?
C8 C9 C10 C11 177.9(9) . . . . ?
C9 C10 C11 C12 9.8(18) . . . . ?
C10 C11 C12 C13 -7.9(19) . . . . ?
C11 C12 C13 C14 2.9(19) . . . . ?
C11 C12 C13 K2 -83.6(12) . . . 3_545 ?
C12 C13 C14 C9 0.2(19) . . . . ?
K2 C13 C14 C9 94.2(11) 3_545 . . . ?
C12 C13 C14 K2 -94.0(11) . . . 3_545 ?
C10 C9 C14 C13 1.5(17) . . . . ?
C8 C9 C14 C13 177.4(11) . . . . ?
C10 C9 C14 K2 80.9(8) . . . 3_545 ?
C8 C9 C14 K2 -103.3(7) . . . 3_545 ?
C20 C15 C16 C17 -3(2) . . . . ?
K2 C15 C16 C17 -73.6(15) 3_545 . . . ?
C20 C15 C16 K2 70.7(12) . . . 3_545 ?
C15 C16 C17 C18 6(2) . . . . ?
K2 C16 C17 C18 -68.8(14) 3_545 . . . ?
C15 C16 C17 K2 75.1(14) . . . 3_545 ?
C16 C17 C18 C19 -5(2) . . . . ?
K2 C17 C18 C19 -73.6(12) 3_545 . . . ?
C16 C17 C18 K2 68.3(15) . . . 3_545 ?
C17 C18 C19 C20 1(2) . . . . ?
K2 C18 C19 C20 -70.1(10) 3_545 . . . ?
C17 C18 C19 K2 70.7(13) . . . 3_545 ?
C18 C19 C20 C15 2.6(17) . . . . ?
K2 C19 C20 C15 -63.2(9) 3_545 . . . ?
C18 C19 C20 C21 178.7(11) . . . . ?
K2 C19 C20 C21 112.9(10) 3_545 . . . ?
C16 C15 C20 C19 -1.7(18) . . . . ?
K2 C15 C20 C19 64.0(9) 3_545 . . . ?
C16 C15 C20 C21 -177.7(12) . . . . ?
K2 C15 C20 C21 -112.0(10) 3_545 . . . ?
C19 C20 C21 N7 25.9(15) . . . . ?
C15 C20 C21 N7 -158.3(11) . . . . ?
C19 C20 C21 P3 -153.2(9) . . . . ?
C15 C20 C21 P3 22.6(15) . . . . ?
N8 C22 C23 C28 18.8(13) . . . . ?
P3 C22 C23 C28 -160.2(8) . . . . ?
N8 C22 C23 C24 -166.5(9) . . . . ?
P3 C22 C23 C24 14.5(13) . . . . ?
C28 C23 C24 C25 -1.2(15) . . . . ?
C22 C23 C24 C25 -176.1(10) . . . . ?
C28 C23 C24 K1 85.1(12) . . . . ?
C22 C23 C24 K1 -89.8(10) . . . . ?
C23 C24 C25 C26 1.8(18) . . . . ?
K1 C24 C25 C26 -120.3(13) . . . . ?
C23 C24 C25 K1 122.0(9) . . . . ?
C24 C25 C26 C27 -3(2) . . . . ?
K1 C25 C26 C27 -106.5(12) . . . . ?
C25 C26 C27 C28 3(2) . . . . ?
C26 C27 C28 C23 -3(2) . . . . ?
C24 C23 C28 C27 1.9(17) . . . . ?
C22 C23 C28 C27 176.6(11) . . . . ?
C34 C29 C30 C31 -1(3) . . . . ?
C29 C30 C31 C32 -2(3) . . . . ?
C30 C31 C32 C33 4(3) . . . . ?
C31 C32 C33 C34 -4(3) . . . . ?
C30 C29 C34 C33 1(2) . . . . ?
C30 C29 C34 C35 -176.6(13) . . . . ?
C32 C33 C34 C29 2(2) . . . . ?
C32 C33 C34 C35 178.9(13) . . . . ?
C29 C34 C35 N2 -140.7(14) . . . . ?
C33 C34 C35 N2 42(2) . . . . ?
C29 C34 C35 P2 37(2) . . . . ?
C33 C34 C35 P2 -140.0(12) . . . . ?
C29 C34 C35 K1 136.4(13) . . . 2_554 ?
C33 C34 C35 K1 -40.8(17) . . . 2_554 ?
N1 C36 C37 C38 -20.3(14) . . . . ?
P2 C36 C37 C38 155.6(8) . . . . ?
K1 C36 C37 C38 56.4(9) 2_554 . . . ?
N1 C36 C37 C42 160.1(9) . . . . ?
P2 C36 C37 C42 -23.9(13) . . . . ?
K1 C36 C37 C42 -123.1(8) 2_554 . . . ?
C42 C37 C38 C39 -0.3(15) . . . . ?
C36 C37 C38 C39 -179.9(9) . . . . ?
C37 C38 C39 C40 4.1(18) . . . . ?
C38 C39 C40 C41 -8(2) . . . . ?
C39 C40 C41 C42 8(2) . . . . ?
C40 C41 C42 C37 -4.4(19) . . . . ?
C38 C37 C42 C41 0.7(16) . . . . ?
C36 C37 C42 C41 -179.8(10) . . . . ?
C48 C43 C44 C45 8(2) . . . . ?
C43 C44 C45 C46 4(2) . . . . ?
C44 C45 C46 C47 -9(2) . . . . ?
C45 C46 C47 C48 0(2) . . . . ?
C46 C47 C48 C43 13(2) . . . . ?
C46 C47 C48 C49 -178.8(13) . . . . ?
C44 C43 C48 C47 -17(2) . . . . ?
C44 C43 C48 C49 174.5(13) . . . . ?
C47 C48 C49 N3 27.7(18) . . . . ?
C43 C48 C49 N3 -163.8(11) . . . . ?
C47 C48 C49 P4 -151.1(11) . . . . ?
C43 C48 C49 P4 17.4(16) . . . . ?
N4 C50 C51 C52 167.8(10) . . . . ?
P4 C50 C51 C52 -12.0(17) . . . . ?
K2 C50 C51 C52 -109.1(11) . . . . ?
N4 C50 C51 C56 -9.1(16) . . . . ?
P4 C50 C51 C56 171.1(9) . . . . ?
K2 C50 C51 C56 74.0(11) . . . . ?
N4 C50 C51 K2 -83.2(8) . . . . ?
P4 C50 C51 K2 97.1(9) . . . . ?
C56 C51 C52 C53 -4(2) . . . . ?
C50 C51 C52 C53 178.6(13) . . . . ?
K2 C51 C52 C53 106.0(14) . . . . ?
C51 C52 C53 C54 6(3) . . . . ?
C52 C53 C54 C55 -4(4) . . . . ?
C53 C54 C55 C56 1(3) . . . . ?
C52 C51 C56 C55 1.2(19) . . . . ?
C50 C51 C56 C55 178.1(10) . . . . ?
K2 C51 C56 C55 -123.7(10) . . . . ?
C54 C55 C56 C51 1(2) . . . . ?
C62 C57 C58 C59 0.0 . . . . ?
C57 C58 C59 C60 0.0 . . . . ?
C58 C59 C60 C61 0.0 . . . . ?
C59 C60 C61 C62 0.0 . . . . ?
C60 C61 C62 C57 0.0 . . . . ?
C60 C61 C62 C63 -176.9(9) . . . . ?
C58 C57 C62 C61 0.0 . . . . ?
C58 C57 C62 C63 176.9(9) . . . . ?
C61 C62 C63 N9 -2.7(13) . . . . ?
C57 C62 C63 N9 -179.6(8) . . . . ?
C61 C62 C63 P5 177.1(6) . . . . ?
C57 C62 C63 P5 0.2(12) . . . . ?
N10 C64 C65 C70 8.2(16) . . . . ?
P5 C64 C65 C70 -168.1(10) . . . . ?
K2 C64 C65 C70 87.9(12) . . . . ?
N10 C64 C65 C66 -170.8(9) . . . . ?
P5 C64 C65 C66 12.9(14) . . . . ?
K2 C64 C65 C66 -91.1(9) . . . . ?
C70 C65 C66 C67 2.3(17) . . . . ?
C64 C65 C66 C67 -178.7(10) . . . . ?
C65 C66 C67 C68 -6(2) . . . . ?
C66 C67 C68 C69 5(3) . . . . ?
C67 C68 C69 C70 0(3) . . . . ?
C66 C65 C70 C69 2(2) . . . . ?
C64 C65 C70 C69 -177.4(11) . . . . ?
C68 C69 C70 C65 -3(2) . . . . ?
C76 C71 C72 C73 -4(3) . . . . ?
K1 C71 C72 C73 -68.0(18) . . . . ?
C76 C71 C72 K1 64.4(14) . . . . ?
C71 C72 C73 C74 2(3) . . . . ?
K1 C72 C73 C74 -66.3(12) . . . . ?
C71 C72 C73 K1 68.1(18) . . . . ?
C72 C73 C74 C75 1(2) . . . . ?
K1 C73 C74 C75 -66.4(14) . . . . ?
C72 C73 C74 K1 67.9(13) . . . . ?
C73 C74 C75 C76 -3(2) . . . . ?
K1 C74 C75 C76 -71.0(13) . . . . ?
C73 C74 C75 K1 68.4(14) . . . . ?
C74 C75 C76 C71 1(2) . . . . ?
K1 C75 C76 C71 -69.2(14) . . . . ?
C74 C75 C76 C77 178.7(13) . . . . ?
K1 C75 C76 C77 108.8(13) . . . . ?
C74 C75 C76 K1 69.9(12) . . . . ?
C72 C71 C76 C75 2(2) . . . . ?
K1 C71 C76 C75 67.3(14) . . . . ?
C72 C71 C76 C77 -175.5(16) . . . . ?
K1 C71 C76 C77 -110.2(18) . . . . ?
C72 C71 C76 K1 -65.2(14) . . . . ?
C76 C75 K1 N6 -2.8(16) . . . 2 ?
C74 C75 K1 N6 -122.5(10) . . . 2 ?
C76 C75 K1 N1 138.3(11) . . . 2 ?
C74 C75 K1 N1 18.6(14) . . . 2 ?
C76 C75 K1 C36 158.4(11) . . . 2 ?
C74 C75 K1 C36 38.7(12) . . . 2 ?
C76 C75 K1 N5 -45.1(16) . . . 2 ?
C74 C75 K1 N5 -164.8(8) . . . 2 ?
C76 C75 K1 C8 -9.4(14) . . . 2 ?
C74 C75 K1 C8 -129.1(10) . . . 2 ?
C76 C75 K1 C74 119.7(18) . . . . ?
C74 C75 K1 C76 -119.7(18) . . . . ?
C76 C75 K1 C72 62.4(12) . . . . ?
C74 C75 K1 C72 -57.2(10) . . . . ?
C76 C75 K1 C73 93.3(13) . . . . ?
C74 C75 K1 C73 -26.4(9) . . . . ?
C76 C75 K1 N2 103.2(13) . . . 2 ?
C74 C75 K1 N2 -16.5(13) . . . 2 ?
C76 C75 K1 C71 31.0(12) . . . . ?
C74 C75 K1 C71 -88.7(12) . . . . ?
C73 C74 K1 N6 -37.0(16) . . . 2 ?
C75 C74 K1 N6 93.4(11) . . . 2 ?
C73 C74 K1 N1 61.3(12) . . . 2 ?
C75 C74 K1 N1 -168.3(9) . . . 2 ?
C73 C74 K1 C36 81.0(12) . . . 2 ?
C75 C74 K1 C36 -148.5(10) . . . 2 ?
C73 C74 K1 N5 -68(3) . . . 2 ?
C75 C74 K1 N5 62(3) . . . 2 ?
C73 C74 K1 C8 -65.3(13) . . . 2 ?
C75 C74 K1 C8 65.2(11) . . . 2 ?
C73 C74 K1 C75 -130.4(18) . . . . ?
C73 C74 K1 C76 -98.3(13) . . . . ?
C75 C74 K1 C76 32.1(10) . . . . ?
C73 C74 K1 C72 -31.8(10) . . . . ?
C75 C74 K1 C72 98.6(13) . . . . ?
C75 C74 K1 C73 130.4(18) . . . . ?
C73 C74 K1 N2 37.4(12) . . . 2 ?
C75 C74 K1 N2 167.8(9) . . . 2 ?
C73 C74 K1 C71 -63.5(11) . . . . ?
C75 C74 K1 C71 66.9(11) . . . . ?
C75 C76 K1 N6 178.0(11) . . . 2 ?
C71 C76 K1 N6 -58.1(13) . . . 2 ?
C77 C76 K1 N6 70.6(13) . . . 2 ?
C75 C76 K1 N1 -89.1(16) . . . 2 ?
C71 C76 K1 N1 35(2) . . . 2 ?
C77 C76 K1 N1 163.6(9) . . . 2 ?
C75 C76 K1 C36 -34.6(17) . . . 2 ?
C71 C76 K1 C36 89.2(14) . . . 2 ?
C77 C76 K1 C36 -142.0(11) . . . 2 ?
C75 C76 K1 N5 152.2(11) . . . 2 ?
C71 C76 K1 N5 -84.0(13) . . . 2 ?
C77 C76 K1 N5 44.8(14) . . . 2 ?
C75 C76 K1 C8 171.5(12) . . . 2 ?
C71 C76 K1 C8 -64.6(12) . . . 2 ?
C77 C76 K1 C8 64.1(12) . . . 2 ?
C71 C76 K1 C75 124(2) . . . . ?
C77 C76 K1 C75 -107.4(19) . . . . ?
C75 C76 K1 C74 -33.4(11) . . . . ?
C71 C76 K1 C74 90.4(13) . . . . ?
C77 C76 K1 C74 -140.8(16) . . . . ?
C75 C76 K1 C72 -94.7(14) . . . . ?
C71 C76 K1 C72 29.2(11) . . . . ?
C77 C76 K1 C72 157.9(16) . . . . ?
C75 C76 K1 C73 -65.1(12) . . . . ?
C71 C76 K1 C73 58.8(11) . . . . ?
C77 C76 K1 C73 -172.5(15) . . . . ?
C75 C76 K1 N2 -103.3(12) . . . 2 ?
C71 C76 K1 N2 20.6(15) . . . 2 ?
C77 C76 K1 N2 149.3(10) . . . 2 ?
C75 C76 K1 C71 -124(2) . . . . ?
C77 C76 K1 C71 129(2) . . . . ?
C73 C72 K1 N6 -149.2(11) . . . 2 ?
C71 C72 K1 N6 78.6(12) . . . 2 ?
C73 C72 K1 N1 -77.0(12) . . . 2 ?
C71 C72 K1 N1 150.8(10) . . . 2 ?
C73 C72 K1 C36 -48.9(12) . . . 2 ?
C71 C72 K1 C36 178.9(10) . . . 2 ?
C73 C72 K1 N5 -153.3(10) . . . 2 ?
C71 C72 K1 N5 74.5(12) . . . 2 ?
C73 C72 K1 C8 -171.5(11) . . . 2 ?
C71 C72 K1 C8 56.2(12) . . . 2 ?
C73 C72 K1 C75 67.8(11) . . . . ?
C71 C72 K1 C75 -64.5(11) . . . . ?
C73 C72 K1 C74 33.7(11) . . . . ?
C71 C72 K1 C74 -98.5(13) . . . . ?
C73 C72 K1 C76 100.8(13) . . . . ?
C71 C72 K1 C76 -31.5(11) . . . . ?
C71 C72 K1 C73 -132.2(19) . . . . ?
C73 C72 K1 N2 -85.2(12) . . . 2 ?
C71 C72 K1 N2 142.6(11) . . . 2 ?
C73 C72 K1 C71 132.2(19) . . . . ?
C72 C73 K1 N6 37.4(13) . . . 2 ?
C74 C73 K1 N6 156.5(10) . . . 2 ?
C72 C73 K1 N1 112.2(11) . . . 2 ?
C74 C73 K1 N1 -128.7(11) . . . 2 ?
C72 C73 K1 C36 136.6(11) . . . 2 ?
C74 C73 K1 C36 -104.3(12) . . . 2 ?
C72 C73 K1 N5 43.9(16) . . . 2 ?
C74 C73 K1 N5 163.0(9) . . . 2 ?
C72 C73 K1 C8 9.4(13) . . . 2 ?
C74 C73 K1 C8 128.5(11) . . . 2 ?
C72 C73 K1 C75 -91.4(13) . . . . ?
C74 C73 K1 C75 27.7(11) . . . . ?
C72 C73 K1 C74 -119.1(18) . . . . ?
C72 C73 K1 C76 -59.0(11) . . . . ?
C74 C73 K1 C76 60.1(11) . . . . ?
C74 C73 K1 C72 119.1(18) . . . . ?
C72 C73 K1 N2 95.5(12) . . . 2 ?
C74 C73 K1 N2 -145.4(12) . . . 2 ?
C72 C73 K1 C71 -26.1(11) . . . . ?
C74 C73 K1 C71 93.1(13) . . . . ?
C72 C71 K1 N6 -107.1(11) . . . 2 ?
C76 C71 K1 N6 128.9(12) . . . 2 ?
C72 C71 K1 N1 -39.0(14) . . . 2 ?
C76 C71 K1 N1 -163.1(10) . . . 2 ?
C72 C71 K1 C36 -1.5(14) . . . 2 ?
C76 C71 K1 C36 -125.6(11) . . . 2 ?
C72 C71 K1 N5 -122.1(11) . . . 2 ?
C76 C71 K1 N5 113.9(12) . . . 2 ?
C72 C71 K1 C8 -122.5(12) . . . 2 ?
C76 C71 K1 C8 113.4(12) . . . 2 ?
C72 C71 K1 C75 94.0(13) . . . . ?
C76 C71 K1 C75 -30.1(11) . . . . ?
C72 C71 K1 C74 58.8(11) . . . . ?
C76 C71 K1 C74 -65.2(12) . . . . ?
C72 C71 K1 C76 124.1(19) . . . . ?
C76 C71 K1 C72 -124.1(19) . . . . ?
C72 C71 K1 C73 25.5(10) . . . . ?
C76 C71 K1 C73 -98.6(13) . . . . ?
C72 C71 K1 N2 -40.7(12) . . . 2 ?
C76 C71 K1 N2 -164.8(11) . . . 2 ?
N4 C50 K2 N10 5.5(6) . . . . ?
C51 C50 K2 N10 -114.4(7) . . . . ?
P4 C50 K2 N10 116.6(4) . . . . ?
N4 C50 K2 C64 1.4(7) . . . . ?
C51 C50 K2 C64 -118.5(7) . . . . ?
P4 C50 K2 C64 112.5(4) . . . . ?
C51 C50 K2 N4 -119.9(10) . . . . ?
P4 C50 K2 N4 111.1(8) . . . . ?
N4 C50 K2 C16 125.3(6) . . . 3 ?
C51 C50 K2 C16 5.4(7) . . . 3 ?
P4 C50 K2 C16 -123.6(5) . . . 3 ?
N4 C50 K2 N9 29.7(6) . . . . ?
C51 C50 K2 N9 -90.2(7) . . . . ?
P4 C50 K2 N9 140.8(4) . . . . ?
N4 C50 K2 C17 111.5(7) . . . 3 ?
C51 C50 K2 C17 -8.4(7) . . . 3 ?
P4 C50 K2 C17 -137.4(4) . . . 3 ?
N4 C50 K2 C18 121.8(6) . . . 3 ?
C51 C50 K2 C18 1.9(8) . . . 3 ?
P4 C50 K2 C18 -127.1(5) . . . 3 ?
N4 C50 K2 C13 -86.9(7) . . . 3 ?
C51 C50 K2 C13 153.2(7) . . . 3 ?
P4 C50 K2 C13 24.2(5) . . . 3 ?
N4 C50 K2 C15 149.0(6) . . . 3 ?
C51 C50 K2 C15 29.1(7) . . . 3 ?
P4 C50 K2 C15 -99.9(4) . . . 3 ?
N4 C50 K2 C19 155.0(5) . . . 3 ?
C51 C50 K2 C19 35.1(8) . . . 3 ?
P4 C50 K2 C19 -93.9(6) . . . 3 ?
N4 C50 K2 C51 119.9(10) . . . . ?
P4 C50 K2 C51 -129.0(8) . . . . ?
C65 C64 K2 N10 -115.6(10) . . . . ?
P5 C64 K2 N10 114.9(8) . . . . ?
N10 C64 K2 C50 9.7(7) . . . . ?
C65 C64 K2 C50 -105.9(7) . . . . ?
P5 C64 K2 C50 124.6(4) . . . . ?
N10 C64 K2 N4 10.3(6) . . . . ?
C65 C64 K2 N4 -105.2(7) . . . . ?
P5 C64 K2 N4 125.2(4) . . . . ?
N10 C64 K2 C16 -97.8(6) . . . 3 ?
C65 C64 K2 C16 146.6(7) . . . 3 ?
P5 C64 K2 C16 17.1(5) . . . 3 ?
N10 C64 K2 N9 -35.5(5) . . . . ?
C65 C64 K2 N9 -151.1(8) . . . . ?
P5 C64 K2 N9 79.4(5) . . . . ?
N10 C64 K2 C17 -108.8(7) . . . 3 ?
C65 C64 K2 C17 135.6(7) . . . 3 ?
P5 C64 K2 C17 6.1(4) . . . 3 ?
N10 C64 K2 C18 -132.9(6) . . . 3 ?
C65 C64 K2 C18 111.5(7) . . . 3 ?
P5 C64 K2 C18 -18.0(4) . . . 3 ?
N10 C64 K2 C13 115.3(7) . . . 3 ?
C65 C64 K2 C13 -0.2(7) . . . 3 ?
P5 C64 K2 C13 -129.8(4) . . . 3 ?
N10 C64 K2 C15 -113.8(6) . . . 3 ?
C65 C64 K2 C15 130.6(7) . . . 3 ?
P5 C64 K2 C15 1.1(6) . . . 3 ?
N10 C64 K2 C19 -150.4(6) . . . 3 ?
C65 C64 K2 C19 94.1(7) . . . 3 ?
P5 C64 K2 C19 -35.5(5) . . . 3 ?
N10 C64 K2 C51 -14.8(8) . . . . ?
C65 C64 K2 C51 -130.4(7) . . . . ?
P5 C64 K2 C51 100.1(4) . . . . ?
C52 C51 K2 N10 176.3(12) . . . . ?
C56 C51 K2 N10 -59.1(8) . . . . ?
C50 C51 K2 N10 65.5(7) . . . . ?
C52 C51 K2 C50 110.7(15) . . . . ?
C56 C51 K2 C50 -124.6(11) . . . . ?
C52 C51 K2 C64 -177.5(12) . . . . ?
C56 C51 K2 C64 -52.9(8) . . . . ?
C50 C51 K2 C64 71.7(7) . . . . ?
C52 C51 K2 N4 143.8(14) . . . . ?
C56 C51 K2 N4 -91.5(8) . . . . ?
C50 C51 K2 N4 33.1(6) . . . . ?
C52 C51 K2 C16 -63.6(12) . . . 3 ?
C56 C51 K2 C16 61.0(8) . . . 3 ?
C50 C51 K2 C16 -174.3(7) . . . 3 ?
C52 C51 K2 N9 -163.9(13) . . . . ?
C56 C51 K2 N9 -39.3(7) . . . . ?
C50 C51 K2 N9 85.3(6) . . . . ?
C52 C51 K2 C17 -77.0(12) . . . 3 ?
C56 C51 K2 C17 47.6(8) . . . 3 ?
C50 C51 K2 C17 172.2(7) . . . 3 ?
C52 C51 K2 C18 -67.8(13) . . . 3 ?
C56 C51 K2 C18 56.8(8) . . . 3 ?
C50 C51 K2 C18 -178.6(6) . . . 3 ?
C52 C51 K2 C13 77.4(13) . . . 3 ?
C56 C51 K2 C13 -158.0(7) . . . 3 ?
C50 C51 K2 C13 -33.3(8) . . . 3 ?
C52 C51 K2 C15 -38.9(12) . . . 3 ?
C56 C51 K2 C15 85.7(8) . . . 3 ?
C50 C51 K2 C15 -149.6(7) . . . 3 ?
C52 C51 K2 C19 -42.8(13) . . . 3 ?
C56 C51 K2 C19 81.9(8) . . . 3 ?
C50 C51 K2 C19 -153.5(6) . . . 3 ?
C37 C36 N1 N2 177.9(8) . . . . ?
P2 C36 N1 N2 1.3(10) . . . . ?
K1 C36 N1 N2 84.8(7) 2_554 . . . ?
C37 C36 N1 Eu1 -26(3) . . . . ?
P2 C36 N1 Eu1 158(2) . . . . ?
K1 C36 N1 Eu1 -119(3) 2_554 . . . ?
C37 C36 N1 K1 93.1(8) . . . 2_554 ?
P2 C36 N1 K1 -83.5(5) . . . 2_554 ?
N8 Eu1 N1 C36 -161(3) . . . . ?
N4 Eu1 N1 C36 -2(3) . . . . ?
N3 Eu1 N1 C36 13(3) . . . . ?
N7 Eu1 N1 C36 167(3) . . . . ?
N6 Eu1 N1 C36 113(3) . . . . ?
N10 Eu1 N1 C36 -78(3) . . . . ?
N2 Eu1 N1 C36 -158(3) . . . . ?
N9 Eu1 N1 C36 -79(3) . . . . ?
N5 Eu1 N1 C36 83(3) . . . . ?
K1 Eu1 N1 C36 116(3) 2_554 . . . ?
K2 Eu1 N1 C36 -40(3) . . . . ?
N8 Eu1 N1 N2 -3.0(5) . . . . ?
N4 Eu1 N1 N2 156.6(5) . . . . ?
N3 Eu1 N1 N2 171.7(4) . . . . ?
N7 Eu1 N1 N2 -34.9(6) . . . . ?
N6 Eu1 N1 N2 -88.5(5) . . . . ?
N10 Eu1 N1 N2 80.6(5) . . . . ?
N9 Eu1 N1 N2 79.0(5) . . . . ?
N5 Eu1 N1 N2 -118.8(5) . . . . ?
K1 Eu1 N1 N2 -85.3(5) 2_554 . . . ?
K2 Eu1 N1 N2 118.8(4) . . . . ?
N8 Eu1 N1 K1 82.3(3) . . . 2_554 ?
N4 Eu1 N1 K1 -118.2(3) . . . 2_554 ?
N3 Eu1 N1 K1 -103.1(3) . . . 2_554 ?
N7 Eu1 N1 K1 50.3(4) . . . 2_554 ?
N6 Eu1 N1 K1 -3.3(2) . . . 2_554 ?
N10 Eu1 N1 K1 165.9(2) . . . 2_554 ?
N2 Eu1 N1 K1 85.3(5) . . . 2_554 ?
N9 Eu1 N1 K1 164.3(2) . . . 2_554 ?
N5 Eu1 N1 K1 -33.5(2) . . . 2_554 ?
K2 Eu1 N1 K1 -155.91(15) . . . 2_554 ?
C36 N1 N2 C35 -1.3(11) . . . . ?
Eu1 N1 N2 C35 -176.0(7) . . . . ?
K1 N1 N2 C35 78.8(7) 2_554 . . . ?
C36 N1 N2 Eu1 174.6(8) . . . . ?
K1 N1 N2 Eu1 -105.2(2) 2_554 . . . ?
C36 N1 N2 K1 -80.1(7) . . . 2_554 ?
Eu1 N1 N2 K1 105.2(2) . . . 2_554 ?
C34 C35 N2 N1 178.8(10) . . . . ?
P2 C35 N2 N1 0.8(10) . . . . ?
K1 C35 N2 N1 -64.3(6) 2_554 . . . ?
C34 C35 N2 Eu1 49(8) . . . . ?
P2 C35 N2 Eu1 -129(8) . . . . ?
K1 C35 N2 Eu1 166(8) 2_554 . . . ?
C34 C35 N2 K1 -116.9(11) . . . 2_554 ?
P2 C35 N2 K1 65.1(6) . . . 2_554 ?
N8 Eu1 N2 N1 177.4(5) . . . . ?
N4 Eu1 N2 N1 -27.1(5) . . . . ?
N3 Eu1 N2 N1 -14.4(8) . . . . ?
N7 Eu1 N2 N1 156.3(4) . . . . ?
N6 Eu1 N2 N1 87.7(5) . . . . ?
N10 Eu1 N2 N1 -112.9(5) . . . . ?
N9 Eu1 N2 N1 -97.6(5) . . . . ?
N5 Eu1 N2 N1 59.3(5) . . . . ?
K1 Eu1 N2 N1 63.1(4) 2_554 . . . ?
K2 Eu1 N2 N1 -73.3(5) . . . . ?
N8 Eu1 N2 C35 -52(8) . . . . ?
N1 Eu1 N2 C35 131(8) . . . . ?
N4 Eu1 N2 C35 104(8) . . . . ?
N3 Eu1 N2 C35 116(8) . . . . ?
N7 Eu1 N2 C35 -73(8) . . . . ?
N6 Eu1 N2 C35 -142(8) . . . . ?
N10 Eu1 N2 C35 18(8) . . . . ?
N9 Eu1 N2 C35 33(8) . . . . ?
N5 Eu1 N2 C35 -170(8) . . . . ?
K1 Eu1 N2 C35 -166(8) 2_554 . . . ?
K2 Eu1 N2 C35 57(8) . . . . ?
N8 Eu1 N2 K1 114.3(2) . . . 2_554 ?
N1 Eu1 N2 K1 -63.1(4) . . . 2_554 ?
N4 Eu1 N2 K1 -90.2(3) . . . 2_554 ?
N3 Eu1 N2 K1 -77.5(5) . . . 2_554 ?
N7 Eu1 N2 K1 93.2(2) . . . 2_554 ?
N6 Eu1 N2 K1 24.6(2) . . . 2_554 ?
N10 Eu1 N2 K1 -175.99(19) . . . 2_554 ?
N9 Eu1 N2 K1 -160.7(2) . . . 2_554 ?
N5 Eu1 N2 K1 -3.8(2) . . . 2_554 ?
K2 Eu1 N2 K1 -136.41(13) . . . 2_554 ?
C48 C49 N3 N4 176.8(9) . . . . ?
P4 C49 N3 N4 -4.2(9) . . . . ?
C48 C49 N3 Eu1 35(4) . . . . ?
P4 C49 N3 Eu1 -146(3) . . . . ?
N8 Eu1 N3 C49 -72(4) . . . . ?
N1 Eu1 N3 C49 114(4) . . . . ?
N4 Eu1 N3 C49 144(4) . . . . ?
N7 Eu1 N3 C49 -49(4) . . . . ?
N6 Eu1 N3 C49 25(4) . . . . ?
N10 Eu1 N3 C49 -131(4) . . . . ?
N2 Eu1 N3 C49 122(4) . . . . ?
N9 Eu1 N3 C49 -158(4) . . . . ?
N5 Eu1 N3 C49 44(4) . . . . ?
K1 Eu1 N3 C49 65(4) 2_554 . . . ?
K2 Eu1 N3 C49 -159(4) . . . . ?
N8 Eu1 N3 N4 144.2(4) . . . . ?
N1 Eu1 N3 N4 -30.2(5) . . . . ?
N7 Eu1 N3 N4 166.9(4) . . . . ?
N6 Eu1 N3 N4 -118.8(4) . . . . ?
N10 Eu1 N3 N4 85.4(5) . . . . ?
N2 Eu1 N3 N4 -21.8(7) . . . . ?
N9 Eu1 N3 N4 58.0(4) . . . . ?
N5 Eu1 N3 N4 -99.8(4) . . . . ?
K1 Eu1 N3 N4 -78.4(5) 2_554 . . . ?
K2 Eu1 N3 N4 57.5(4) . . . . ?
C49 N3 N4 C50 3.5(10) . . . . ?
Eu1 N3 N4 C50 177.6(7) . . . . ?
C49 N3 N4 Eu1 -174.1(7) . . . . ?
C49 N3 N4 K2 77.3(7) . . . . ?
Eu1 N3 N4 K2 -108.6(2) . . . . ?
C51 C50 N4 N3 179.1(8) . . . . ?
P4 C50 N4 N3 -1.2(10) . . . . ?
K2 C50 N4 N3 89.3(6) . . . . ?
C51 C50 N4 Eu1 -14(4) . . . . ?
P4 C50 N4 Eu1 165(3) . . . . ?
K2 C50 N4 Eu1 -104(4) . . . . ?
C51 C50 N4 K2 89.7(9) . . . . ?
P4 C50 N4 K2 -90.5(5) . . . . ?
N8 Eu1 N4 N3 -58.2(6) . . . . ?
N1 Eu1 N4 N3 153.7(4) . . . . ?
N7 Eu1 N4 N3 -16.7(5) . . . . ?
N6 Eu1 N4 N3 70.9(5) . . . . ?
N10 Eu1 N4 N3 -87.6(5) . . . . ?
N2 Eu1 N4 N3 167.4(4) . . . . ?
N9 Eu1 N4 N3 -120.0(4) . . . . ?
N5 Eu1 N4 N3 75.5(4) . . . . ?
K1 Eu1 N4 N3 115.1(4) 2_554 . . . ?
K2 Eu1 N4 N3 -91.8(4) . . . . ?
N8 Eu1 N4 C50 134(4) . . . . ?
N1 Eu1 N4 C50 -14(4) . . . . ?
N3 Eu1 N4 C50 -167(4) . . . . ?
N7 Eu1 N4 C50 176(4) . . . . ?
N6 Eu1 N4 C50 -97(4) . . . . ?
N10 Eu1 N4 C50 105(4) . . . . ?
N2 Eu1 N4 C50 0(4) . . . . ?
N9 Eu1 N4 C50 73(4) . . . . ?
N5 Eu1 N4 C50 -92(4) . . . . ?
K1 Eu1 N4 C50 -52(4) 2_554 . . . ?
K2 Eu1 N4 C50 101(4) . . . . ?
N8 Eu1 N4 K2 33.5(6) . . . . ?
N1 Eu1 N4 K2 -114.5(3) . . . . ?
N3 Eu1 N4 K2 91.8(4) . . . . ?
N7 Eu1 N4 K2 75.1(4) . . . . ?
N6 Eu1 N4 K2 162.7(2) . . . . ?
N10 Eu1 N4 K2 4.2(3) . . . . ?
N2 Eu1 N4 K2 -100.9(3) . . . . ?
N9 Eu1 N4 K2 -28.3(2) . . . . ?
N5 Eu1 N4 K2 167.3(3) . . . . ?
K1 Eu1 N4 K2 -153.10(17) 2_554 . . . ?
N10 K2 N4 N3 72.5(5) . . . . ?
C50 K2 N4 N3 -113.9(8) . . . . ?
C64 K2 N4 N3 67.5(5) . . . . ?
C16 K2 N4 N3 -173.0(5) 3 . . . ?
N9 K2 N4 N3 101.2(5) . . . . ?
C17 K2 N4 N3 165.4(5) 3 . . . ?
C18 K2 N4 N3 159.0(5) 3 . . . ?
C13 K2 N4 N3 -13.7(6) 3 . . . ?
C15 K2 N4 N3 -148.7(5) 3 . . . ?
C19 K2 N4 N3 -160.5(6) 3 . . . ?
C51 K2 N4 N3 -145.8(6) . . . . ?
N10 K2 N4 C50 -173.6(7) . . . . ?
C64 K2 N4 C50 -178.7(7) . . . . ?
C16 K2 N4 C50 -59.2(7) 3 . . . ?
N9 K2 N4 C50 -144.9(7) . . . . ?
C17 K2 N4 C50 -80.8(7) 3 . . . ?
C18 K2 N4 C50 -87.2(8) 3 . . . ?
C13 K2 N4 C50 100.2(7) 3 . . . ?
C15 K2 N4 C50 -34.8(7) 3 . . . ?
C19 K2 N4 C50 -46.7(9) 3 . . . ?
C51 K2 N4 C50 -31.9(6) . . . . ?
N10 K2 N4 Eu1 -3.9(2) . . . . ?
C50 K2 N4 Eu1 169.8(8) . . . . ?
C64 K2 N4 Eu1 -8.9(3) . . . . ?
C16 K2 N4 Eu1 110.6(4) 3 . . . ?
N9 K2 N4 Eu1 24.8(2) . . . . ?
C17 K2 N4 Eu1 89.0(4) 3 . . . ?
C18 K2 N4 Eu1 82.6(5) 3 . . . ?
C13 K2 N4 Eu1 -90.1(4) 3 . . . ?
C15 K2 N4 Eu1 134.9(3) 3 . . . ?
C19 K2 N4 Eu1 123.1(6) 3 . . . ?
C51 K2 N4 Eu1 137.9(5) . . . . ?
C6 C7 N5 N6 177.6(7) . . . . ?
P1 C7 N5 N6 0.7(9) . . . . ?
K1 C7 N5 N6 -68.9(5) 2_554 . . . ?
C6 C7 N5 Eu1 64(4) . . . . ?
P1 C7 N5 Eu1 -113(4) . . . . ?
K1 C7 N5 Eu1 177(4) 2_554 . . . ?
C6 C7 N5 K1 -113.5(7) . . . 2_554 ?
P1 C7 N5 K1 69.6(5) . . . 2_554 ?
N8 Eu1 N5 N6 -19.9(5) . . . . ?
N1 Eu1 N5 N6 96.7(4) . . . . ?
N4 Eu1 N5 N6 -171.6(4) . . . . ?
N3 Eu1 N5 N6 -140.8(4) . . . . ?
N7 Eu1 N5 N6 -42.9(4) . . . . ?
N10 Eu1 N5 N6 -128.4(6) . . . . ?
N2 Eu1 N5 N6 69.5(4) . . . . ?
N9 Eu1 N5 N6 147.0(6) . . . . ?
K1 Eu1 N5 N6 65.6(4) 2_554 . . . ?
K2 Eu1 N5 N6 -161.7(3) . . . . ?
N8 Eu1 N5 C7 97(4) . . . . ?
N1 Eu1 N5 C7 -146(4) . . . . ?
N4 Eu1 N5 C7 -54(4) . . . . ?
N3 Eu1 N5 C7 -23(4) . . . . ?
N7 Eu1 N5 C7 74(4) . . . . ?
N6 Eu1 N5 C7 117(4) . . . . ?
N10 Eu1 N5 C7 -11(4) . . . . ?
N2 Eu1 N5 C7 -173(4) . . . . ?
N9 Eu1 N5 C7 -96(4) . . . . ?
K1 Eu1 N5 C7 -177(4) 2_554 . . . ?
K2 Eu1 N5 C7 -44(4) . . . . ?
N8 Eu1 N5 K1 -85.5(3) . . . 2_554 ?
N1 Eu1 N5 K1 31.0(2) . . . 2_554 ?
N4 Eu1 N5 K1 122.8(2) . . . 2_554 ?
N3 Eu1 N5 K1 153.6(2) . . . 2_554 ?
N7 Eu1 N5 K1 -108.5(3) . . . 2_554 ?
N6 Eu1 N5 K1 -65.6(4) . . . 2_554 ?
N10 Eu1 N5 K1 165.9(4) . . . 2_554 ?
N2 Eu1 N5 K1 3.9(2) . . . 2_554 ?
N9 Eu1 N5 K1 81.4(6) . . . 2_554 ?
K2 Eu1 N5 K1 132.66(13) . . . 2_554 ?
C7 N5 N6 C8 -0.2(9) . . . . ?
Eu1 N5 N6 C8 171.3(6) . . . . ?
K1 N5 N6 C8 -82.6(6) 2_554 . . . ?
C7 N5 N6 Eu1 -171.5(6) . . . . ?
K1 N5 N6 Eu1 106.17(19) 2_554 . . . ?
C7 N5 N6 K1 82.4(6) . . . 2_554 ?
Eu1 N5 N6 K1 -106.17(19) . . . 2_554 ?
C9 C8 N6 N5 -178.8(7) . . . . ?
P1 C8 N6 N5 -0.4(8) . . . . ?
K1 C8 N6 N5 82.1(5) 2_554 . . . ?
C9 C8 N6 Eu1 -36(3) . . . . ?
P1 C8 N6 Eu1 142.7(19) . . . . ?
K1 C8 N6 Eu1 -135(2) 2_554 . . . ?
C9 C8 N6 K1 99.1(7) . . . 2_554 ?
P1 C8 N6 K1 -82.6(5) . . . 2_554 ?
N8 Eu1 N6 N5 162.6(4) . . . . ?
N1 Eu1 N6 N5 -78.3(4) . . . . ?
N4 Eu1 N6 N5 9.2(5) . . . . ?
N3 Eu1 N6 N5 39.2(4) . . . . ?
N7 Eu1 N6 N5 134.8(4) . . . . ?
N10 Eu1 N6 N5 126.2(6) . . . . ?
N2 Eu1 N6 N5 -109.8(4) . . . . ?
N9 Eu1 N6 N5 -129.1(7) . . . . ?
K1 Eu1 N6 N5 -81.7(4) 2_554 . . . ?
K2 Eu1 N6 N5 33.2(6) . . . . ?
N8 Eu1 N6 C8 17(2) . . . . ?
N1 Eu1 N6 C8 136(2) . . . . ?
N4 Eu1 N6 C8 -136(2) . . . . ?
N3 Eu1 N6 C8 -106(2) . . . . ?
N7 Eu1 N6 C8 -11(2) . . . . ?
N10 Eu1 N6 C8 -19(2) . . . . ?
N2 Eu1 N6 C8 105(2) . . . . ?
N9 Eu1 N6 C8 86(2) . . . . ?
N5 Eu1 N6 C8 -145(2) . . . . ?
K1 Eu1 N6 C8 133(2) 2_554 . . . ?
K2 Eu1 N6 C8 -112(2) . . . . ?
N8 Eu1 N6 K1 -115.8(3) . . . 2_554 ?
N1 Eu1 N6 K1 3.3(2) . . . 2_554 ?
N4 Eu1 N6 K1 90.9(3) . . . 2_554 ?
N3 Eu1 N6 K1 120.9(2) . . . 2_554 ?
N7 Eu1 N6 K1 -143.5(3) . . . 2_554 ?
N10 Eu1 N6 K1 -152.2(5) . . . 2_554 ?
N2 Eu1 N6 K1 -28.2(2) . . . 2_554 ?
N9 Eu1 N6 K1 -47.4(8) . . . 2_554 ?
N5 Eu1 N6 K1 81.7(4) . . . 2_554 ?
K2 Eu1 N6 K1 114.9(3) . . . 2_554 ?
C20 C21 N7 N8 -179.0(8) . . . . ?
P3 C21 N7 N8 0.2(10) . . . . ?
C20 C21 N7 Eu1 -14(10) . . . . ?
P3 C21 N7 Eu1 165(9) . . . . ?
N8 Eu1 N7 C21 -165(9) . . . . ?
N1 Eu1 N7 C21 -104(9) . . . . ?
N4 Eu1 N7 C21 61(9) . . . . ?
N3 Eu1 N7 C21 53(9) . . . . ?
N6 Eu1 N7 C21 -47(9) . . . . ?
N10 Eu1 N7 C21 129(9) . . . . ?
N2 Eu1 N7 C21 -123(9) . . . . ?
N9 Eu1 N7 C21 150(9) . . . . ?
N5 Eu1 N7 C21 -26(9) . . . . ?
K1 Eu1 N7 C21 -71(9) 2_554 . . . ?
K2 Eu1 N7 C21 103(9) . . . . ?
N1 Eu1 N7 N8 61.5(6) . . . . ?
N4 Eu1 N7 N8 -133.4(5) . . . . ?
N3 Eu1 N7 N8 -142.0(5) . . . . ?
N6 Eu1 N7 N8 118.2(5) . . . . ?
N10 Eu1 N7 N8 -65.3(5) . . . . ?
N2 Eu1 N7 N8 42.8(5) . . . . ?
N9 Eu1 N7 N8 -44.9(5) . . . . ?
N5 Eu1 N7 N8 139.2(5) . . . . ?
K1 Eu1 N7 N8 94.0(4) 2_554 . . . ?
K2 Eu1 N7 N8 -91.6(4) . . . . ?
C21 N7 N8 C22 0.5(10) . . . . ?
Eu1 N7 N8 C22 -178.3(7) . . . . ?
C21 N7 N8 Eu1 178.8(7) . . . . ?
C23 C22 N8 N7 179.9(8) . . . . ?
P3 C22 N8 N7 -1.1(9) . . . . ?
C23 C22 N8 Eu1 9(4) . . . . ?
P3 C22 N8 Eu1 -172(3) . . . . ?
N1 Eu1 N8 N7 -139.3(4) . . . . ?
N4 Eu1 N8 N7 77.8(6) . . . . ?
N3 Eu1 N8 N7 46.3(5) . . . . ?
N6 Eu1 N8 N7 -57.4(5) . . . . ?
N10 Eu1 N8 N7 108.1(5) . . . . ?
N2 Eu1 N8 N7 -140.9(5) . . . . ?
N9 Eu1 N8 N7 137.6(5) . . . . ?
N5 Eu1 N8 N7 -47.6(5) . . . . ?
K1 Eu1 N8 N7 -95.7(4) 2_554 . . . ?
K2 Eu1 N8 N7 99.9(4) . . . . ?
N1 Eu1 N8 C22 32(3) . . . . ?
N4 Eu1 N8 C22 -111(3) . . . . ?
N3 Eu1 N8 C22 -143(3) . . . . ?
N7 Eu1 N8 C22 171(4) . . . . ?
N6 Eu1 N8 C22 114(3) . . . . ?
N10 Eu1 N8 C22 -81(3) . . . . ?
N2 Eu1 N8 C22 30(3) . . . . ?
N9 Eu1 N8 C22 -51(3) . . . . ?
N5 Eu1 N8 C22 124(3) . . . . ?
K1 Eu1 N8 C22 75(3) 2_554 . . . ?
K2 Eu1 N8 C22 -89(3) . . . . ?
C62 C63 N9 N10 -179.8(8) . . . . ?
P5 C63 N9 N10 0.3(11) . . . . ?
C62 C63 N9 Eu1 75(3) . . . . ?
P5 C63 N9 Eu1 -105(3) . . . . ?
C62 C63 N9 K2 -115.3(9) . . . . ?
P5 C63 N9 K2 64.9(7) . . . . ?
N8 Eu1 N9 C63 47(3) . . . . ?
N1 Eu1 N9 C63 -73(3) . . . . ?
N4 Eu1 N9 C63 -164(3) . . . . ?
N3 Eu1 N9 C63 169(3) . . . . ?
N7 Eu1 N9 C63 69(3) . . . . ?
N6 Eu1 N9 C63 -22(3) . . . . ?
N10 Eu1 N9 C63 110(3) . . . . ?
N2 Eu1 N9 C63 -42(3) . . . . ?
N5 Eu1 N9 C63 -122(3) . . . . ?
K1 Eu1 N9 C63 -59(3) 2_554 . . . ?
K2 Eu1 N9 C63 170(3) . . . . ?
N8 Eu1 N9 N10 -63.3(5) . . . . ?
N1 Eu1 N9 N10 177.3(4) . . . . ?
N4 Eu1 N9 N10 85.9(5) . . . . ?
N3 Eu1 N9 N10 59.2(4) . . . . ?
N7 Eu1 N9 N10 -41.4(5) . . . . ?
N6 Eu1 N9 N10 -132.3(8) . . . . ?
N2 Eu1 N9 N10 -151.7(5) . . . . ?
N5 Eu1 N9 N10 128.3(5) . . . . ?
K1 Eu1 N9 N10 -169.6(4) 2_554 . . . ?
K2 Eu1 N9 N10 59.7(4) . . . . ?
N8 Eu1 N9 K2 -123.0(2) . . . . ?
N1 Eu1 N9 K2 117.6(2) . . . . ?
N4 Eu1 N9 K2 26.1(2) . . . . ?
N3 Eu1 N9 K2 -0.5(2) . . . . ?
N7 Eu1 N9 K2 -101.1(2) . . . . ?
N6 Eu1 N9 K2 168.0(7) . . . . ?
N10 Eu1 N9 K2 -59.7(4) . . . . ?
N2 Eu1 N9 K2 148.6(2) . . . . ?
N5 Eu1 N9 K2 68.6(6) . . . . ?
K1 Eu1 N9 K2 130.69(16) 2_554 . . . ?
N10 K2 N9 C63 -114.6(7) . . . . ?
C50 K2 N9 C63 144.6(6) . . . . ?
C64 K2 N9 C63 -78.4(6) . . . . ?
N4 K2 N9 C63 159.1(6) . . . . ?
C16 K2 N9 C63 51.0(6) 3 . . . ?
C17 K2 N9 C63 30.6(6) 3 . . . ?
C18 K2 N9 C63 9.7(6) 3 . . . ?
C13 K2 N9 C63 -111.7(6) 3 . . . ?
C15 K2 N9 C63 55.3(6) 3 . . . ?
C19 K2 N9 C63 8.0(6) 3 . . . ?
C51 K2 N9 C63 119.9(6) . . . . ?
C50 K2 N9 N10 -100.8(5) . . . . ?
C64 K2 N9 N10 36.2(4) . . . . ?
N4 K2 N9 N10 -86.4(5) . . . . ?
C16 K2 N9 N10 165.6(5) 3 . . . ?
C17 K2 N9 N10 145.2(5) 3 . . . ?
C18 K2 N9 N10 124.3(5) 3 . . . ?
C13 K2 N9 N10 2.9(5) 3 . . . ?
C15 K2 N9 N10 169.9(4) 3 . . . ?
C19 K2 N9 N10 122.6(5) 3 . . . ?
C51 K2 N9 N10 -125.5(5) . . . . ?
N10 K2 N9 Eu1 63.1(4) . . . . ?
C50 K2 N9 Eu1 -37.7(3) . . . . ?
C64 K2 N9 Eu1 99.3(4) . . . . ?
N4 K2 N9 Eu1 -23.2(2) . . . . ?
C16 K2 N9 Eu1 -131.3(3) 3 . . . ?
C17 K2 N9 Eu1 -151.7(3) 3 . . . ?
C18 K2 N9 Eu1 -172.6(3) 3 . . . ?
C13 K2 N9 Eu1 66.0(3) 3 . . . ?
C15 K2 N9 Eu1 -126.9(3) 3 . . . ?
C19 K2 N9 Eu1 -174.3(3) 3 . . . ?
C51 K2 N9 Eu1 -62.4(3) . . . . ?
C65 C64 N10 N9 -174.0(8) . . . . ?
P5 C64 N10 N9 2.7(9) . . . . ?
K2 C64 N10 N9 85.1(6) . . . . ?
C65 C64 N10 Eu1 -53(3) . . . . ?
P5 C64 N10 Eu1 123(2) . . . . ?
K2 C64 N10 Eu1 -154(3) . . . . ?
C65 C64 N10 K2 100.9(8) . . . . ?
P5 C64 N10 K2 -82.4(5) . . . . ?
C63 N9 N10 C64 -1.9(11) . . . . ?
Eu1 N9 N10 C64 164.9(7) . . . . ?
K2 N9 N10 C64 -80.9(6) . . . . ?
C63 N9 N10 Eu1 -166.8(7) . . . . ?
K2 N9 N10 Eu1 114.2(2) . . . . ?
C63 N9 N10 K2 78.9(7) . . . . ?
Eu1 N9 N10 K2 -114.2(2) . . . . ?
N8 Eu1 N10 C64 -15(3) . . . . ?
N1 Eu1 N10 C64 -129(3) . . . . ?
N4 Eu1 N10 C64 148(3) . . . . ?
N3 Eu1 N10 C64 116(3) . . . . ?
N7 Eu1 N10 C64 15(3) . . . . ?
N6 Eu1 N10 C64 24(3) . . . . ?
N2 Eu1 N10 C64 -96(3) . . . . ?
N9 Eu1 N10 C64 -126(3) . . . . ?
N5 Eu1 N10 C64 103(3) . . . . ?
K1 Eu1 N10 C64 -104(3) 2_554 . . . ?
K2 Eu1 N10 C64 152(3) . . . . ?
N8 Eu1 N10 N9 110.5(5) . . . . ?
N1 Eu1 N10 N9 -3.0(5) . . . . ?
N4 Eu1 N10 N9 -86.9(4) . . . . ?
N3 Eu1 N10 N9 -118.9(4) . . . . ?
N7 Eu1 N10 N9 140.8(5) . . . . ?
N6 Eu1 N10 N9 149.1(5) . . . . ?
N2 Eu1 N10 N9 29.8(5) . . . . ?
N5 Eu1 N10 N9 -131.2(6) . . . . ?
K1 Eu1 N10 N9 22.0(7) 2_554 . . . ?
K2 Eu1 N10 N9 -82.5(4) . . . . ?
N8 Eu1 N10 K2 -167.1(4) . . . . ?
N1 Eu1 N10 K2 79.4(4) . . . . ?
N4 Eu1 N10 K2 -4.5(3) . . . . ?
N3 Eu1 N10 K2 -36.4(3) . . . . ?
N7 Eu1 N10 K2 -136.7(3) . . . . ?
N6 Eu1 N10 K2 -128.4(5) . . . . ?
N2 Eu1 N10 K2 112.3(3) . . . . ?
N9 Eu1 N10 K2 82.5(4) . . . . ?
N5 Eu1 N10 K2 -48.7(7) . . . . ?
K1 Eu1 N10 K2 104.5(4) 2_554 . . . ?
C50 K2 N10 C64 -170.8(7) . . . . ?
N4 K2 N10 C64 -168.1(7) . . . . ?
C16 K2 N10 C64 96.8(7) 3 . . . ?
N9 K2 N10 C64 113.4(8) . . . . ?
C17 K2 N10 C64 76.9(7) 3 . . . ?
C18 K2 N10 C64 51.8(7) 3 . . . ?
C13 K2 N10 C64 -64.0(7) 3 . . . ?
C15 K2 N10 C64 98.6(7) 3 . . . ?
C19 K2 N10 C64 38.5(8) 3 . . . ?
C51 K2 N10 C64 167.0(7) . . . . ?
C50 K2 N10 N9 75.8(5) . . . . ?
C64 K2 N10 N9 -113.4(8) . . . . ?
N4 K2 N10 N9 78.5(4) . . . . ?
C16 K2 N10 N9 -16.6(5) 3 . . . ?
C17 K2 N10 N9 -36.5(5) 3 . . . ?
C18 K2 N10 N9 -61.6(5) 3 . . . ?
C13 K2 N10 N9 -177.4(5) 3 . . . ?
C15 K2 N10 N9 -14.8(6) 3 . . . ?
C19 K2 N10 N9 -74.9(5) 3 . . . ?
C51 K2 N10 N9 53.6(5) . . . . ?
C50 K2 N10 Eu1 1.2(4) . . . . ?
C64 K2 N10 Eu1 172.0(8) . . . . ?
N4 K2 N10 Eu1 3.9(3) . . . . ?
C16 K2 N10 Eu1 -91.2(4) 3 . . . ?
N9 K2 N10 Eu1 -74.6(4) . . . . ?
C17 K2 N10 Eu1 -111.1(4) 3 . . . ?
C18 K2 N10 Eu1 -136.2(3) 3 . . . ?
C13 K2 N10 Eu1 107.9(4) 3 . . . ?
C15 K2 N10 Eu1 -89.5(5) 3 . . . ?
C19 K2 N10 Eu1 -149.5(3) 3 . . . ?
C51 K2 N10 Eu1 -21.0(4) . . . . ?
N6 C8 P1 C7 0.7(6) . . . . ?
C9 C8 P1 C7 178.8(8) . . . . ?
K1 C8 P1 C7 -67.3(4) 2_554 . . . ?
N6 C8 P1 K1 68.0(6) . . . 2_554 ?
C9 C8 P1 K1 -113.9(8) . . . 2_554 ?
N5 C7 P1 C8 -0.8(6) . . . . ?
C6 C7 P1 C8 -177.3(8) . . . . ?
K1 C7 P1 C8 58.5(3) 2_554 . . . ?
N5 C7 P1 K1 -59.3(5) . . . 2_554 ?
C6 C7 P1 K1 124.2(8) . . . 2_554 ?
N1 C36 P2 C35 -0.7(7) . . . . ?
C37 C36 P2 C35 -176.9(9) . . . . ?
K1 C36 P2 C35 -72.6(4) 2_554 . . . ?
N1 C36 P2 K1 71.9(6) . . . 2_554 ?
C37 C36 P2 K1 -104.3(8) . . . 2_554 ?
N2 C35 P2 C36 -0.1(8) . . . . ?
C34 C35 P2 C36 -178.0(12) . . . . ?
K1 C35 P2 C36 59.8(3) 2_554 . . . ?
N2 C35 P2 K1 -59.9(7) . . . 2_554 ?
C34 C35 P2 K1 122.2(11) . . . 2_554 ?
N8 C22 P3 C21 0.9(7) . . . . ?
C23 C22 P3 C21 179.9(8) . . . . ?
N7 C21 P3 C22 -0.7(8) . . . . ?
C20 C21 P3 C22 178.5(9) . . . . ?
N4 C50 P4 C49 -0.9(7) . . . . ?
C51 C50 P4 C49 178.8(10) . . . . ?
K2 C50 P4 C49 -83.9(4) . . . . ?
N4 C50 P4 K2 82.9(6) . . . . ?
C51 C50 P4 K2 -97.3(10) . . . . ?
N3 C49 P4 C50 2.9(7) . . . . ?
C48 C49 P4 C50 -178.1(9) . . . . ?
N3 C49 P4 K2 -55.2(6) . . . . ?
C48 C49 P4 K2 123.8(9) . . . . ?
N10 K2 P4 C50 -64.0(5) . . . . ?
C64 K2 P4 C50 -79.8(5) . . . . ?
N4 K2 P4 C50 -34.9(4) . . . . ?
C16 K2 P4 C50 61.8(5) 3 . . . ?
N9 K2 P4 C50 -39.4(4) . . . . ?
C17 K2 P4 C50 56.8(6) 3 . . . ?
C18 K2 P4 C50 87.3(6) 3 . . . ?
C13 K2 P4 C50 -156.6(5) 3 . . . ?
C15 K2 P4 C50 83.5(5) 3 . . . ?
C19 K2 P4 C50 112.6(5) 3 . . . ?
C51 K2 P4 C50 25.7(5) . . . . ?
N10 K2 P4 C49 27.0(4) . . . . ?
C50 K2 P4 C49 91.0(5) . . . . ?
C64 K2 P4 C49 11.2(4) . . . . ?
N4 K2 P4 C49 56.1(4) . . . . ?
C16 K2 P4 C49 152.8(4) 3 . . . ?
N9 K2 P4 C49 51.6(4) . . . . ?
C17 K2 P4 C49 147.8(5) 3 . . . ?
C18 K2 P4 C49 178.3(5) 3 . . . ?
C13 K2 P4 C49 -65.6(4) 3 . . . ?
C15 K2 P4 C49 174.5(4) 3 . . . ?
C19 K2 P4 C49 -156.4(4) 3 . . . ?
C51 K2 P4 C49 116.7(4) . . . . ?
N10 C64 P5 C63 -2.0(7) . . . . ?
C65 C64 P5 C63 174.4(9) . . . . ?
K2 C64 P5 C63 -73.4(4) . . . . ?
N10 C64 P5 K2 71.3(6) . . . . ?
C65 C64 P5 K2 -112.3(9) . . . . ?
N9 C63 P5 C64 0.9(8) . . . . ?
C62 C63 P5 C64 -178.9(9) . . . . ?
N9 C63 P5 K2 -59.9(7) . . . . ?
C62 C63 P5 K2 120.2(9) . . . . ?
N10 K2 P5 C64 -32.8(4) . . . . ?
C50 K2 P5 C64 -68.3(5) . . . . ?
N4 K2 P5 C64 -55.8(4) . . . . ?
C16 K2 P5 C64 -165.2(4) 3 . . . ?
N9 K2 P5 C64 -68.1(4) . . . . ?
C17 K2 P5 C64 -173.7(5) 3 . . . ?
C18 K2 P5 C64 160.6(4) 3 . . . ?
C13 K2 P5 C64 51.1(4) 3 . . . ?
C15 K2 P5 C64 -179.3(4) 3 . . . ?
C19 K2 P5 C64 147.3(4) 3 . . . ?
C51 K2 P5 C64 -96.8(4) . . . . ?
N10 K2 P5 C63 61.8(4) . . . . ?
C50 K2 P5 C63 26.3(4) . . . . ?
C64 K2 P5 C63 94.6(5) . . . . ?
N4 K2 P5 C63 38.8(4) . . . . ?
C16 K2 P5 C63 -70.6(4) 3 . . . ?
N9 K2 P5 C63 26.5(4) . . . . ?
C17 K2 P5 C63 -79.1(4) 3 . . . ?
C18 K2 P5 C63 -104.8(4) 3 . . . ?
C13 K2 P5 C63 145.7(4) 3 . . . ?
C15 K2 P5 C63 -84.7(4) 3 . . . ?
C19 K2 P5 C63 -118.1(4) 3 . . . ?
C51 K2 P5 C63 -2.2(4) . . . . ?

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.129 0.250 0.500 1067 141 ' '
2 0.088 0.750 0.000 1067 141 ' '

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         2.381
_refine_diff_density_min         -0.707
_refine_diff_density_rms         0.089
