#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/22/4322289.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4322289
loop_
_publ_author_name
'Deborah Freedman'
'Thomas J. Emge'
'John G. Brennan'
_publ_contact_author             'J. G. Brennan'
_publ_contact_author_fax         (732)-445-5312
_publ_section_title
;
 (THF)8Ln8E6(EPh)12 Cluster Reactivity: Systematic Control of Ln, E, EPh,
 and Neutral Donor Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4400
_journal_page_last               4404
_journal_paper_doi               10.1021/ic9905493
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C31.75 H28.75 N2.75 Se4.5 Sm2'
_chemical_formula_weight         1104.84
_chemical_name_systematic        (py)8Sm8Se6(SePh)12,3(py)
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000(10)
_cell_angle_beta                 120.650(10)
_cell_angle_gamma                90.000(10)
_cell_formula_units_Z            8
_cell_length_a                   18.770(2)
_cell_length_b                   28.113(4)
_cell_length_c                   16.461(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    153(5)
_cell_measurement_theta_max      16.2
_cell_measurement_theta_min      15.1
_cell_volume                     7473(2)
_computing_cell_refinement       CAD4
_computing_data_collection       CAD4
_computing_data_reduction        'local programs'
_computing_molecular_graphics    'XPMA/ZORTEP (Zsolnai, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(5)
_diffrn_measured_fraction_theta_full 0.499
_diffrn_measured_fraction_theta_max 0.499
_diffrn_measurement_device_type  'CAD4 diffractometer'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0929
_diffrn_reflns_av_sigmaI/netI    0.1065
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10788
_diffrn_reflns_theta_full        22.98
_diffrn_reflns_theta_max         22.98
_diffrn_reflns_theta_min         2.46
_diffrn_standards_decay_%        2
_diffrn_standards_interval_time  3600
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.519
_exptl_absorpt_correction_T_max  0.9999
_exptl_absorpt_correction_T_min  0.9999
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   'SHELX-76 (Sheldrick, 1976)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.964
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4124
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.589
_refine_diff_density_min         -1.718
_refine_diff_density_rms         0.193
_refine_ls_extinction_coef       0.00007(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     493
_refine_ls_number_reflns         5314
_refine_ls_number_restraints     1128
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.1216
_refine_ls_R_factor_gt           0.0510
_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)+(0.0660P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1289
_refine_ls_wR_factor_ref         0.1424
_reflns_number_gt                3063
_reflns_number_total             5314
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9905493_1.cif
_cod_data_source_block           sm8p
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0660P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0660P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        7472.7(19)
_cod_original_formula_sum        'C31.75 H28.75 N2.75 Se4.50 Sm2'
_cod_database_code               4322289
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z'
'-x, -y, -z'
'-x, y, -z'
'-x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sm1 Sm 0.59345(5) 0.60002(2) 0.47412(5) 0.0442(2) Uani 1 d U . .
N1 N 0.6566(5) 0.6724(3) 0.4354(6) 0.050(3) Uani 1 d GU . .
C1 C 0.7387(5) 0.6729(3) 0.4577(6) 0.062(4) Uani 1 d GU . .
H1 H 0.7752 0.6486 0.4961 0.075 Uiso 1 d . . .
C2 C 0.7671(5) 0.7095(4) 0.4246(7) 0.067(4) Uani 1 d GU . .
H2 H 0.8231 0.7100 0.4402 0.081 Uiso 1 d . . .
C3 C 0.7134(7) 0.7454(3) 0.3691(7) 0.070(4) Uani 1 d GU . .
H3 H 0.7326 0.7703 0.3462 0.084 Uiso 1 d . . .
C4 C 0.6313(6) 0.7448(3) 0.3468(7) 0.073(4) Uani 1 d GU . .
H4 H 0.5943 0.7692 0.3081 0.087 Uiso 1 d . . .
C5 C 0.6029(4) 0.7083(3) 0.3799(7) 0.067(4) Uani 1 d GU . .
H5 H 0.5464 0.7078 0.3640 0.080 Uiso 1 d . . .
Sm2 Sm 0.47763(5) 0.5000 0.27679(5) 0.0228(2) Uani 1 d SU . .
N2 N 0.4431(8) 0.5000 0.1040(6) 0.043(3) Uani 1 d SDU . .
C6 C 0.436(3) 0.4576(3) 0.0574(9) 0.045(7) Uiso 0.50 d PDU . .
H6 H 0.4513 0.4285 0.0916 0.055 Uiso 0.50 d P . .
C7 C 0.406(3) 0.4576(3) -0.0395(8) 0.053(7) Uani 0.50 d PDU . .
H7 H 0.4051 0.4289 -0.0706 0.064 Uiso 0.50 d P . .
C8 C 0.3798(12) 0.5000 -0.0898(6) 0.053(4) Uani 1 d SDU . .
H8 H 0.3557 0.5000 -0.1565 0.064 Uiso 1 d S . .
C9 C 0.389(2) 0.5427(3) -0.0427(8) 0.048(7) Uani 0.50 d PDU . .
H9 H 0.3718 0.5716 -0.0770 0.058 Uiso 0.50 d P . .
C10 C 0.424(3) 0.5427(3) 0.0552(8) 0.044(6) Uani 0.50 d PDU . .
H10 H 0.4340 0.5719 0.0882 0.053 Uiso 0.50 d P . .
Sm3 Sm 0.70932(6) 0.5000 0.67252(6) 0.0484(3) Uani 1 d SU . .
N3 N 0.8636(7) 0.5213(6) 0.8092(9) 0.044(4) Uani 0.50 d PGU . .
C11 C 0.9283(9) 0.4993(6) 0.8092(10) 0.057(4) Uani 1 d SGU . .
H11 H 0.9167 0.4768 0.7612 0.069 Uiso 0.50 d P . .
C12 C 1.0099(8) 0.5085(8) 0.8757(13) 0.082(6) Uani 0.50 d PGU . .
H12 H 1.0534 0.4913 0.8760 0.098 Uiso 0.50 d P . .
C13 C 1.0267(8) 0.5440(8) 0.9419(11) 0.075(7) Uani 0.50 d PGU . .
H13 H 1.0823 0.5519 0.9873 0.090 Uiso 0.50 d P . .
C14 C 0.9620(12) 0.5681(6) 0.9418(11) 0.064(6) Uani 0.50 d PGU . .
H14 H 0.9733 0.5923 0.9872 0.077 Uiso 0.50 d P . .
C15 C 0.8805(10) 0.5567(5) 0.8754(12) 0.055(5) Uani 0.50 d PGU . .
H15 H 0.8361 0.5731 0.8755 0.066 Uiso 0.50 d P . .
Se1 Se 0.41946(8) 0.57051(5) 0.36205(8) 0.0402(4) Uani 1 d U . .
Se2 Se 0.63005(11) 0.5000 0.46592(12) 0.0432(5) Uani 1 d SU . .
Se3 Se 0.60530(14) 0.56889(8) 0.30191(15) 0.0256(5) Uani 0.50 d PU A 1
C31 C 0.5647(10) 0.6233(5) 0.2187(11) 0.032(4) Uani 0.50 d PGU A 1
C32 C 0.6150(9) 0.6431(6) 0.1883(13) 0.040(4) Uani 0.50 d PGU A 1
H32 H 0.6677 0.6296 0.2084 0.048 Uiso 0.50 d P B 1
C33 C 0.5881(11) 0.6826(6) 0.1292(13) 0.054(5) Uani 0.50 d PGU A 1
H33 H 0.6225 0.6959 0.1085 0.064 Uiso 0.50 d P C 1
C34 C 0.5108(11) 0.7023(5) 0.1005(12) 0.059(6) Uani 0.50 d PGU A 1
H34 H 0.4924 0.7291 0.0595 0.071 Uiso 0.50 d P D 1
C35 C 0.4605(9) 0.6825(6) 0.1309(14) 0.058(6) Uani 0.50 d PGU A 1
H35 H 0.4074 0.6959 0.1104 0.070 Uiso 0.50 d P E 1
C36 C 0.4875(9) 0.6430(6) 0.1900(12) 0.043(5) Uani 0.50 d PGU A 1
H36 H 0.4526 0.6296 0.2103 0.051 Uiso 0.50 d P F 1
Se4 Se 0.75009(16) 0.39309(9) 0.65209(18) 0.0402(7) Uani 0.50 d PU . 1
C41 C 0.8453(9) 0.4020(7) 0.6406(14) 0.051(4) Uani 0.50 d PGU . 1
C42 C 0.9175(11) 0.3784(7) 0.7050(12) 0.055(5) Uani 0.50 d PGU . 1
H42 H 0.9178 0.3575 0.7506 0.067 Uiso 0.50 d P G 1
C43 C 0.9898(9) 0.3851(7) 0.7027(13) 0.067(5) Uani 0.50 d PGU . 1
H43 H 1.0397 0.3692 0.7472 0.080 Uiso 0.50 d P H 1
C44 C 0.9900(9) 0.4154(7) 0.6360(15) 0.075(6) Uani 0.50 d PGU . 1
H44 H 1.0400 0.4205 0.6355 0.090 Uiso 0.50 d P I 1
C45 C 0.9178(11) 0.4390(7) 0.5717(13) 0.062(6) Uani 0.50 d PGU . 1
H45 H 0.9184 0.4601 0.5271 0.074 Uiso 0.50 d P J 1
C46 C 0.8455(9) 0.4322(6) 0.5739(12) 0.050(5) Uani 0.50 d PGU . 1
H46 H 0.7966 0.4484 0.5305 0.060 Uiso 0.50 d P K 1
Se5 Se 0.45843(16) 0.67589(8) 0.45252(18) 0.0357(6) Uani 0.50 d PU . 1
C51 C 0.5208(11) 0.7252(5) 0.5455(10) 0.047(5) Uani 0.50 d PGU . 1
C52 C 0.4969(10) 0.7724(6) 0.5219(10) 0.048(6) Uani 0.50 d PGU . 1
H52 H 0.4540 0.7804 0.4600 0.058 Uiso 0.50 d P L 1
C53 C 0.5356(13) 0.8079(4) 0.5891(14) 0.075(7) Uani 0.50 d PGU . 1
H53 H 0.5195 0.8403 0.5732 0.089 Uiso 0.50 d P M 1
C54 C 0.5984(12) 0.7963(5) 0.6799(12) 0.065(6) Uani 0.50 d PGU . 1
H54 H 0.6251 0.8207 0.7260 0.078 Uiso 0.50 d P N 1
C55 C 0.6223(10) 0.7492(6) 0.7035(9) 0.057(6) Uani 0.50 d PGU . 1
H55 H 0.6653 0.7413 0.7656 0.068 Uiso 0.50 d P O 1
C56 C 0.5835(11) 0.7136(4) 0.6363(12) 0.052(6) Uani 0.50 d PGU . 1
H56 H 0.5998 0.6814 0.6524 0.062 Uiso 0.50 d P P 1
N4 N 0.2496(16) 0.3551(8) 0.035(2) 0.072(7) Uiso 0.38 d PGU Q 1
C16 C 0.2305(18) 0.3489(9) 0.1058(17) 0.066(9) Uiso 0.38 d PGU Q 1
H16 H 0.2493 0.3714 0.1557 0.079 Uiso 0.38 d P R 1
C17 C 0.182(2) 0.3105(11) 0.102(2) 0.082(11) Uiso 0.38 d PGU Q 1
H17 H 0.1689 0.3064 0.1500 0.099 Uiso 0.38 d P S 1
C18 C 0.1532(18) 0.2782(9) 0.028(2) 0.095(9) Uiso 0.38 d PGU Q 1
H18 H 0.1216 0.2515 0.0262 0.114 Uiso 0.38 d P T 1
C19 C 0.172(2) 0.2844(10) -0.0425(19) 0.091(9) Uiso 0.38 d PGU Q 1
H19 H 0.1547 0.2616 -0.0919 0.109 Uiso 0.38 d P U 1
C20 C 0.221(2) 0.3228(11) -0.0389(18) 0.099(11) Uiso 0.38 d PGU Q 1
H20 H 0.2351 0.3266 -0.0862 0.119 Uiso 0.38 d P V 1
Se6 Se 0.30434(15) 0.52614(9) 0.15759(16) 0.0363(6) Uani 0.50 d PU . 2
C61 C 0.2561(11) 0.4771(6) 0.0609(10) 0.053(5) Uani 0.50 d PGU . 2
C62 C 0.2197(11) 0.4902(5) -0.0334(11) 0.045(5) Uani 0.50 d PGU . 2
H62 H 0.2137 0.5229 -0.0502 0.054 Uiso 0.50 d P W 2
C63 C 0.1925(10) 0.4555(7) -0.1031(9) 0.061(6) Uani 0.50 d PGU . 2
H63 H 0.1679 0.4643 -0.1674 0.073 Uiso 0.50 d P X 2
C64 C 0.2015(13) 0.4077(6) -0.0785(12) 0.061(6) Uani 0.50 d PGU . 2
H64 H 0.1831 0.3838 -0.1257 0.074 Uiso 0.50 d P Y 2
C65 C 0.2379(14) 0.3945(5) 0.0158(14) 0.073(6) Uani 0.50 d PGU . 2
H65 H 0.2441 0.3618 0.0331 0.088 Uiso 0.50 d P Z 2
C66 C 0.2652(12) 0.4293(6) 0.0855(10) 0.068(6) Uani 0.50 d PGU . 2
H66 H 0.2899 0.4204 0.1503 0.082 Uiso 0.50 d P A 2
Se7 Se 0.52543(15) 0.60179(8) 0.26867(16) 0.0282(6) Uani 0.50 d PU A 2
C71 C 0.6209(8) 0.6055(6) 0.2559(12) 0.036(4) Uani 0.50 d PGU A 2
C72 C 0.6267(10) 0.6439(6) 0.2064(13) 0.041(4) Uani 0.50 d PGU A 2
H72 H 0.5827 0.6658 0.1766 0.050 Uiso 0.50 d P B 2
C73 C 0.6968(12) 0.6495(6) 0.1991(14) 0.059(5) Uani 0.50 d PGU A 2
H73 H 0.7013 0.6756 0.1655 0.071 Uiso 0.50 d P C 2
C74 C 0.7611(10) 0.6168(7) 0.2414(15) 0.077(6) Uani 0.50 d PGU A 2
H74 H 0.8101 0.6209 0.2381 0.093 Uiso 0.50 d P D 2
C75 C 0.7553(9) 0.5784(6) 0.2909(14) 0.057(5) Uani 0.50 d PGU A 2
H75 H 0.8003 0.5563 0.3216 0.069 Uiso 0.50 d P E 2
C76 C 0.6852(10) 0.5727(5) 0.2982(11) 0.035(4) Uani 0.50 d PGU A 2
H76 H 0.6817 0.5466 0.3327 0.042 Uiso 0.50 d P F 2
Se8 Se 0.78032(15) 0.43100(9) 0.60694(18) 0.0380(6) Uani 0.50 d PU . 2
C81 C 0.8359(11) 0.3863(6) 0.7105(12) 0.054(4) Uani 0.50 d PGU . 2
C82 C 0.9197(11) 0.3794(7) 0.7437(14) 0.062(5) Uani 0.50 d PGU . 2
H82 H 0.9459 0.3964 0.7164 0.075 Uiso 0.50 d P G 2
C83 C 0.9651(8) 0.3478(8) 0.8174(15) 0.072(6) Uani 0.50 d PGU . 2
H83 H 1.0224 0.3434 0.8408 0.086 Uiso 0.50 d P H 2
C84 C 0.9268(12) 0.3232(7) 0.8579(13) 0.080(7) Uani 0.50 d PGU . 2
H84 H 0.9577 0.3017 0.9086 0.096 Uiso 0.50 d P I 2
C85 C 0.8430(13) 0.3301(7) 0.8247(14) 0.080(7) Uani 0.50 d PGU . 2
H85 H 0.8165 0.3131 0.8520 0.096 Uiso 0.50 d P J 2
C86 C 0.7976(9) 0.3616(7) 0.7510(14) 0.065(5) Uani 0.50 d PGU . 2
H86 H 0.7400 0.3661 0.7277 0.077 Uiso 0.50 d P K 2
N5 N 0.1268(18) 0.2065(9) -0.181(2) 0.094(10) Uiso 0.38 d PGU L 2
C21 C 0.1399(18) 0.2498(12) -0.2124(19) 0.083(11) Uiso 0.38 d PGU L 2
H21 H 0.1555 0.2500 -0.2588 0.100 Uiso 0.38 d P M 2
C22 C 0.131(2) 0.2921(9) -0.174(2) 0.090(10) Uiso 0.38 d PGU L 2
H22 H 0.1410 0.3213 -0.1954 0.108 Uiso 0.38 d P N 2
C23 C 0.110(2) 0.2910(10) -0.105(2) 0.099(10) Uiso 0.38 d PGU L 2
H23 H 0.1040 0.3199 -0.0795 0.118 Uiso 0.38 d P O 2
C24 C 0.097(2) 0.2476(13) -0.074(2) 0.087(9) Uiso 0.38 d PGU L 2
H24 H 0.0815 0.2472 -0.0271 0.105 Uiso 0.38 d P P 2
C25 C 0.1052(19) 0.2054(9) -0.112(2) 0.098(11) Uiso 0.38 d PGU L 2
H25 H 0.0960 0.1759 -0.0905 0.118 Uiso 0.38 d P Q 2
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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -0.1638 3.4418 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 Sm1 Se5 79.34(19) . 6_656 ?
N1 Sm1 Se4 80.9(2) . 2_565 ?
Se5 Sm1 Se4 84.94(8) 6_656 2_565 ?
N1 Sm1 Se2 126.7(2) . . ?
Se5 Sm1 Se2 151.60(6) 6_656 . ?
Se4 Sm1 Se2 88.28(7) 2_565 . ?
N1 Sm1 Se1 124.7(2) . . ?
Se5 Sm1 Se1 88.10(6) 6_656 . ?
Se4 Sm1 Se1 151.68(6) 2_565 . ?
Se2 Sm1 Se1 84.90(5) . . ?
N1 Sm1 Se7 71.89(18) . . ?
Se5 Sm1 Se7 115.56(7) 6_656 . ?
Se4 Sm1 Se7 141.14(7) 2_565 . ?
Se2 Sm1 Se7 86.42(6) . . ?
Se1 Sm1 Se7 65.84(5) . . ?
N1 Sm1 Se1 135.00(17) . 6_656 ?
Se5 Sm1 Se1 67.57(6) 6_656 6_656 ?
Se4 Sm1 Se1 67.05(6) 2_565 6_656 ?
Se2 Sm1 Se1 84.38(5) . 6_656 ?
Se1 Sm1 Se1 84.92(4) . 6_656 ?
Se7 Sm1 Se1 150.00(6) . 6_656 ?
N1 Sm1 Se3 74.94(18) . . ?
Se5 Sm1 Se3 143.25(7) 6_656 . ?
Se4 Sm1 Se3 115.79(7) 2_565 . ?
Se2 Sm1 Se3 63.51(5) . . ?
Se1 Sm1 Se3 85.44(5) . . ?
Se7 Sm1 Se3 30.73(6) . . ?
Se1 Sm1 Se3 147.15(5) 6_656 . ?
N1 Sm1 Se8 84.3(2) . 2_565 ?
Se5 Sm1 Se8 114.22(7) 6_656 2_565 ?
Se4 Sm1 Se8 29.41(7) 2_565 2_565 ?
Se2 Sm1 Se8 64.02(6) . 2_565 ?
Se1 Sm1 Se8 147.37(6) . 2_565 ?
Se7 Sm1 Se8 118.49(7) . 2_565 ?
Se1 Sm1 Se8 82.51(6) 6_656 2_565 ?
Se3 Sm1 Se8 89.03(7) . 2_565 ?
N1 Sm1 Se5 83.4(2) . . ?
Se5 Sm1 Se5 28.97(10) 6_656 . ?
Se4 Sm1 Se5 113.88(7) 2_565 . ?
Se2 Sm1 Se5 146.36(6) . . ?
Se1 Sm1 Se5 63.44(6) . . ?
Se7 Sm1 Se5 90.34(7) . . ?
Se1 Sm1 Se5 81.89(5) 6_656 . ?
Se3 Sm1 Se5 120.87(7) . . ?
Se8 Sm1 Se5 142.98(7) 2_565 . ?
N1 Sm1 Sm2 118.65(17) . . ?
Se5 Sm1 Sm2 135.03(6) 6_656 . ?
Se4 Sm1 Sm2 135.73(6) 2_565 . ?
Se2 Sm1 Sm2 47.71(4) . . ?
Se1 Sm1 Sm2 47.20(3) . . ?
Se7 Sm1 Sm2 48.76(4) . . ?
Se1 Sm1 Sm2 106.33(3) 6_656 . ?
Se3 Sm1 Sm2 46.93(4) . . ?
Se8 Sm1 Sm2 108.63(5) 2_565 . ?
Se5 Sm1 Sm2 107.92(5) . . ?
N1 Sm1 Sm3 128.7(2) . . ?
Se5 Sm1 Sm3 109.87(6) 6_656 . ?
Se4 Sm1 Sm3 51.45(5) 2_565 . ?
Se2 Sm1 Sm3 46.99(4) . . ?
Se1 Sm1 Sm3 106.36(3) . . ?
Se7 Sm1 Sm3 133.26(5) . . ?
Se1 Sm1 Sm3 47.19(3) 6_656 . ?
Se3 Sm1 Sm3 106.66(5) . . ?
Se8 Sm1 Sm3 45.10(5) 2_565 . ?
Se5 Sm1 Sm3 129.06(5) . . ?
Sm2 Sm1 Sm3 90.75(2) . . ?
C1 N1 C5 120.0 . . ?
C1 N1 Sm1 121.9(5) . . ?
C5 N1 Sm1 117.6(5) . . ?
N1 C1 C2 120.0 . . ?
C3 C2 C1 120.0 . . ?
C4 C3 C2 120.0 . . ?
C5 C4 C3 120.0 . . ?
C4 C5 N1 120.0 . . ?
N2 Sm2 Se6 71.9(3) . . ?
N2 Sm2 Se6 71.9(3) . 2_565 ?
Se6 Sm2 Se6 29.27(10) . 2_565 ?
N2 Sm2 Se1 125.53(17) . . ?
Se6 Sm2 Se1 65.94(6) . . ?
Se6 Sm2 Se1 86.14(6) 2_565 . ?
N2 Sm2 Se1 125.53(17) . 2_565 ?
Se6 Sm2 Se1 86.14(6) . 2_565 ?
Se6 Sm2 Se1 65.94(6) 2_565 2_565 ?
Se1 Sm2 Se1 84.73(6) . 2_565 ?
N2 Sm2 Se3 83.3(2) . 2_565 ?
Se6 Sm2 Se3 144.26(7) . 2_565 ?
Se6 Sm2 Se3 118.63(7) 2_565 2_565 ?
Se1 Sm2 Se3 148.26(6) . 2_565 ?
Se1 Sm2 Se3 87.89(5) 2_565 2_565 ?
N2 Sm2 Se3 83.3(2) . . ?
Se6 Sm2 Se3 118.62(7) . . ?
Se6 Sm2 Se3 144.26(7) 2_565 . ?
Se1 Sm2 Se3 87.89(5) . . ?
Se1 Sm2 Se3 148.26(6) 2_565 . ?
Se3 Sm2 Se3 82.35(9) 2_565 . ?
N2 Sm2 Se2 136.4(3) . . ?
Se6 Sm2 Se2 148.93(6) . . ?
Se6 Sm2 Se2 148.93(6) 2_565 . ?
Se1 Sm2 Se2 83.87(4) . . ?
Se1 Sm2 Se2 83.87(4) 2_565 . ?
Se3 Sm2 Se2 64.64(5) 2_565 . ?
Se3 Sm2 Se2 64.64(5) . . ?
N2 Sm2 Se7 82.21(10) . 2_565 ?
Se6 Sm2 Se7 117.67(7) . 2_565 ?
Se6 Sm2 Se7 89.20(7) 2_565 2_565 ?
Se1 Sm2 Se7 148.20(5) . 2_565 ?
Se1 Sm2 Se7 64.77(5) 2_565 2_565 ?
Se3 Sm2 Se7 31.12(6) 2_565 2_565 ?
Se3 Sm2 Se7 113.00(7) . 2_565 ?
Se2 Sm2 Se7 84.10(5) . 2_565 ?
N2 Sm2 Se7 82.21(10) . . ?
Se6 Sm2 Se7 89.20(7) . . ?
Se6 Sm2 Se7 117.67(7) 2_565 . ?
Se1 Sm2 Se7 64.77(5) . . ?
Se1 Sm2 Se7 148.20(5) 2_565 . ?
Se3 Sm2 Se7 113.00(7) 2_565 . ?
Se3 Sm2 Se7 31.12(6) . . ?
Se2 Sm2 Se7 84.10(5) . . ?
Se7 Sm2 Se7 142.48(9) 2_565 . ?
N2 Sm2 Sm1 128.61(13) . 2_565 ?
Se6 Sm2 Sm1 133.12(6) . 2_565 ?
Se6 Sm2 Sm1 109.16(5) 2_565 2_565 ?
Se1 Sm2 Sm1 105.47(4) . 2_565 ?
Se1 Sm2 Sm1 47.06(3) 2_565 2_565 ?
Se3 Sm2 Sm1 49.92(4) 2_565 2_565 ?
Se3 Sm2 Sm1 106.40(5) . 2_565 ?
Se2 Sm2 Sm1 46.62(2) . 2_565 ?
Se7 Sm2 Sm1 47.10(4) 2_565 2_565 ?
Se7 Sm2 Sm1 130.63(5) . 2_565 ?
N2 Sm2 Sm1 128.61(13) . . ?
Se6 Sm2 Sm1 109.16(5) . . ?
Se6 Sm2 Sm1 133.12(6) 2_565 . ?
Se1 Sm2 Sm1 47.06(3) . . ?
Se1 Sm2 Sm1 105.46(3) 2_565 . ?
Se3 Sm2 Sm1 106.40(5) 2_565 . ?
Se3 Sm2 Sm1 49.92(4) . . ?
Se2 Sm2 Sm1 46.62(2) . . ?
Se7 Sm2 Sm1 130.63(5) 2_565 . ?
Se7 Sm2 Sm1 47.10(4) . . ?
Sm1 Sm2 Sm1 89.39(3) 2_565 . ?
C10 N2 C10 120.0(7) 2_565 . ?
C10 N2 C6 120.0(5) 2_565 2_565 ?
C10 N2 C6 9(4) . 2_565 ?
C10 N2 C6 9(4) 2_565 . ?
C10 N2 C6 120.0(5) . . ?
C6 N2 C6 118.6(12) 2_565 . ?
C10 N2 Sm2 119.0(5) 2_565 . ?
C10 N2 Sm2 119.0(5) . . ?
C6 N2 Sm2 120.7(5) 2_565 . ?
C6 N2 Sm2 120.7(5) . . ?
C10 C6 N2 86(4) 2_565 . ?
C10 C6 C7 92(4) 2_565 . ?
N2 C6 C7 120.1(5) . . ?
C10 C6 C9 80(4) 2_565 2_565 ?
N2 C6 C9 118.4(11) . 2_565 ?
C7 C6 C9 12(3) . 2_565 ?
C9 C7 C8 84(3) 2_565 . ?
C9 C7 C6 88(3) 2_565 . ?
C8 C7 C6 119.7(5) . . ?
C9 C7 C10 80(3) 2_565 2_565 ?
C8 C7 C10 118.4(10) . 2_565 ?
C6 C7 C10 8(4) . 2_565 ?
C7 C8 C7 118.0(13) . 2_565 ?
C7 C8 C9 12(3) . 2_565 ?
C7 C8 C9 120.1(5) 2_565 2_565 ?
C7 C8 C9 120.1(5) . . ?
C7 C8 C9 12(3) 2_565 . ?
C9 C8 C9 119.2(10) 2_565 . ?
C7 C9 C8 84(3) 2_565 . ?
C7 C9 C10 88(3) 2_565 . ?
C8 C9 C10 119.8(5) . . ?
C7 C9 C6 80(3) 2_565 2_565 ?
C8 C9 C6 118.1(11) . 2_565 ?
C10 C9 C6 8(4) . 2_565 ?
C6 C10 N2 86(4) 2_565 . ?
C6 C10 C9 92(4) 2_565 . ?
N2 C10 C9 119.9(5) . . ?
C6 C10 C7 80(4) 2_565 2_565 ?
N2 C10 C7 118.5(10) . 2_565 ?
C9 C10 C7 12(3) . 2_565 ?
N3 Sm3 N3 25.8(7) 2_565 . ?
N3 Sm3 Se8 87.5(3) 2_565 2_565 ?
N3 Sm3 Se8 69.7(3) . 2_565 ?
N3 Sm3 Se8 69.7(3) 2_565 . ?
N3 Sm3 Se8 87.5(3) . . ?
Se8 Sm3 Se8 85.48(10) 2_565 . ?
N3 Sm3 Se2 131.7(3) 2_565 . ?
N3 Sm3 Se2 131.7(3) . . ?
Se8 Sm3 Se2 67.74(6) 2_565 . ?
Se8 Sm3 Se2 67.73(6) . . ?
N3 Sm3 Se1 116.2(3) 2_565 5_666 ?
N3 Sm3 Se1 137.9(3) . 5_666 ?
Se8 Sm3 Se1 151.35(7) 2_565 5_666 ?
Se8 Sm3 Se1 88.00(6) . 5_666 ?
Se2 Sm3 Se1 83.97(4) . 5_666 ?
N3 Sm3 Se1 137.9(3) 2_565 6_656 ?
N3 Sm3 Se1 116.2(3) . 6_656 ?
Se8 Sm3 Se1 88.00(6) 2_565 6_656 ?
Se8 Sm3 Se1 151.35(6) . 6_656 ?
Se2 Sm3 Se1 83.97(4) . 6_656 ?
Se1 Sm3 Se1 84.49(5) 5_666 6_656 ?
N3 Sm3 Se6 74.6(3) 2_565 5_666 ?
N3 Sm3 Se6 81.0(3) . 5_666 ?
Se8 Sm3 Se6 142.11(7) 2_565 5_666 ?
Se8 Sm3 Se6 117.36(7) . 5_666 ?
Se2 Sm3 Se6 147.01(6) . 5_666 ?
Se1 Sm3 Se6 64.39(6) 5_666 5_666 ?
Se1 Sm3 Se6 83.93(6) 6_656 5_666 ?
N3 Sm3 Se6 81.0(3) 2_565 6_656 ?
N3 Sm3 Se6 74.6(3) . 6_656 ?
Se8 Sm3 Se6 117.36(7) 2_565 6_656 ?
Se8 Sm3 Se6 142.12(7) . 6_656 ?
Se2 Sm3 Se6 147.01(6) . 6_656 ?
Se1 Sm3 Se6 83.93(6) 5_666 6_656 ?
Se1 Sm3 Se6 64.39(6) 6_656 6_656 ?
Se6 Sm3 Se6 28.11(10) 5_666 6_656 ?
N3 Sm3 Se4 70.1(3) 2_565 . ?
N3 Sm3 Se4 94.9(3) . . ?
Se8 Sm3 Se4 114.86(7) 2_565 . ?
Se8 Sm3 Se4 29.54(7) . . ?
Se2 Sm3 Se4 83.34(5) . . ?
Se1 Sm3 Se4 63.86(5) 5_666 . ?
Se1 Sm3 Se4 146.90(6) 6_656 . ?
Se6 Sm3 Se4 90.38(7) 5_666 . ?
Se6 Sm3 Se4 117.92(7) 6_656 . ?
N3 Sm3 Se4 94.9(3) 2_565 2_565 ?
N3 Sm3 Se4 70.1(3) . 2_565 ?
Se8 Sm3 Se4 29.53(7) 2_565 2_565 ?
Se8 Sm3 Se4 114.86(7) . 2_565 ?
Se2 Sm3 Se4 83.34(5) . 2_565 ?
Se1 Sm3 Se4 146.90(6) 5_666 2_565 ?
Se1 Sm3 Se4 63.86(5) 6_656 2_565 ?
Se6 Sm3 Se4 117.92(7) 5_666 2_565 ?
Se6 Sm3 Se4 90.37(7) 6_656 2_565 ?
Se4 Sm3 Se4 143.88(10) . 2_565 ?
N3 Sm3 Sm2 120.9(3) 2_565 5_666 ?
N3 Sm3 Sm2 120.9(3) . 5_666 ?
Se8 Sm3 Sm2 134.93(5) 2_565 5_666 ?
Se8 Sm3 Sm2 134.94(5) . 5_666 ?
Se2 Sm3 Sm2 105.14(5) . 5_666 ?
Se1 Sm3 Sm2 47.16(3) 5_666 5_666 ?
Se1 Sm3 Sm2 47.16(3) 6_656 5_666 ?
Se6 Sm3 Sm2 46.41(5) 5_666 5_666 ?
Se6 Sm3 Sm2 46.41(5) 6_656 5_666 ?
Se4 Sm3 Sm2 107.93(5) . 5_666 ?
Se4 Sm3 Sm2 107.93(5) 2_565 5_666 ?
N3 N3 C11 64.5(12) 2_565 2_565 ?
N3 N3 C11 63.0(7) 2_565 . ?
C11 N3 C11 1.5(14) 2_565 . ?
N3 N3 C15 135.8(7) 2_565 . ?
C11 N3 C15 117.6(9) 2_565 . ?
C11 N3 C15 118.6 . . ?
N3 N3 Sm3 77.1(3) 2_565 . ?
C11 N3 Sm3 119.7(12) 2_565 . ?
C11 N3 Sm3 118.8(8) . . ?
C15 N3 Sm3 122.4(8) . . ?
C11 C11 N3 115.3(13) 2_565 2_565 ?
C11 C11 C12 99(2) 2_565 2_565 ?
N3 C11 C12 124.9(16) 2_565 2_565 ?
C11 C11 C12 79.16(10) 2_565 . ?
N3 C11 C12 136.0(7) 2_565 . ?
C12 C11 C12 20.0(18) 2_565 . ?
C11 C11 N3 62.9(11) 2_565 . ?
N3 C11 N3 52.5(13) 2_565 . ?
C12 C11 N3 134.9(9) 2_565 . ?
C12 C11 N3 123.0 . . ?
C12 C12 C11 80.8(15) 2_565 2_565 ?
C12 C12 C13 135.8 2_565 . ?
C11 C12 C13 117.1(11) 2_565 . ?
C12 C12 C11 79.1 2_565 . ?
C11 C12 C11 1.7(15) 2_565 . ?
C13 C12 C11 118.3 . . ?
C12 C12 C13 33.3(7) 2_565 2_565 ?
C11 C12 C13 97.7(15) 2_565 2_565 ?
C13 C12 C13 102.5(8) . 2_565 ?
C11 C12 C13 96.3(4) . 2_565 ?
C12 C13 C14 120.0 . . ?
C12 C13 C12 10.9(8) . 2_565 ?
C14 C13 C12 121.73(7) . 2_565 ?
C12 C13 C14 153.3(8) . 6_757 ?
C14 C13 C14 59.1(15) . 6_757 ?
C12 C13 C14 143.0(9) 2_565 6_757 ?
C15 C14 C13 120.0 . . ?
C15 C14 C14 147(2) . 6_757 ?
C13 C14 C14 76.6(19) . 6_757 ?
C15 C14 C13 102.7(18) . 6_757 ?
C13 C14 C13 99.9(16) . 6_757 ?
C14 C14 C13 44.3(8) 6_757 6_757 ?
C14 C15 N3 120.0 . . ?
Sm1 Se1 Sm2 85.74(4) . . ?
Sm1 Se1 Sm1 85.96(4) . 6_656 ?
Sm2 Se1 Sm1 148.20(5) . 6_656 ?
Sm1 Se1 Sm3 148.36(5) . 5_666 ?
Sm2 Se1 Sm3 85.53(4) . 5_666 ?
Sm1 Se1 Sm3 85.64(4) 6_656 5_666 ?
Sm1 Se2 Sm1 149.57(7) 2_565 . ?
Sm1 Se2 Sm3 86.48(4) 2_565 . ?
Sm1 Se2 Sm3 86.48(4) . . ?
Sm1 Se2 Sm2 85.68(4) 2_565 . ?
Sm1 Se2 Sm2 85.68(4) . . ?
Sm3 Se2 Sm2 149.76(7) . . ?
C31 Se3 Sm2 115.0(5) . . ?
C31 Se3 Sm1 103.9(5) . . ?
Sm2 Se3 Sm1 83.15(6) . . ?
C32 C31 C36 120.0 . . ?
C32 C31 Se3 118.5(9) . . ?
C36 C31 Se3 121.5(9) . . ?
C31 C32 C33 120.0 . . ?
C34 C33 C32 120.0 . . ?
C33 C34 C35 120.0 . . ?
C36 C35 C34 120.0 . . ?
C35 C36 C31 120.0 . . ?
C41 Se4 Sm1 114.1(6) . 2_565 ?
C41 Se4 Sm3 100.1(6) . . ?
Sm1 Se4 Sm3 82.46(6) 2_565 . ?
C42 C41 C46 120.0 . . ?
C42 C41 Se4 117.4(10) . . ?
C46 C41 Se4 122.6(10) . . ?
C41 C42 C43 120.0 . . ?
C42 C43 C44 120.0 . . ?
C45 C44 C43 120.0 . . ?
C46 C45 C44 120.0 . . ?
C45 C46 C41 120.0 . . ?
C51 Se5 Se5 81.6(6) 6_656 6_656 ?
C51 Se5 C56 53.1(9) 6_656 6_656 ?
Se5 Se5 C56 132.6(13) 6_656 6_656 ?
C51 Se5 C51 41.3(10) 6_656 . ?
Se5 Se5 C51 46.7(5) 6_656 . ?
C56 Se5 C51 93.6(16) 6_656 . ?
C51 Se5 Sm1 149.2(7) 6_656 6_656 ?
Se5 Se5 Sm1 87.63(13) 6_656 6_656 ?
C56 Se5 Sm1 138.2(13) 6_656 6_656 ?
C51 Se5 Sm1 113.3(5) . 6_656 ?
C51 Se5 Sm1 116.8(7) 6_656 . ?
Se5 Se5 Sm1 63.41(12) 6_656 . ?
C56 Se5 Sm1 121.5(14) 6_656 . ?
C51 Se5 Sm1 105.2(5) . . ?
Sm1 Se5 Sm1 82.90(6) 6_656 . ?
C51 C51 C52 76.0(6) 6_656 . ?
C51 C51 C56 158.2(15) 6_656 . ?
C52 C51 C56 120.0 . . ?
C51 C51 Se5 91.3(7) 6_656 6_656 ?
C52 C51 Se5 166.5(11) . 6_656 ?
C56 C51 Se5 71.2(10) . 6_656 ?
C51 C51 C52 54.8(8) 6_656 6_656 ?
C52 C51 C52 28.4(11) . 6_656 ?
C56 C51 C52 132.9(12) . 6_656 ?
Se5 C51 C52 138.5(15) 6_656 6_656 ?
C51 C51 Se5 47.4(6) 6_656 . ?
C52 C51 Se5 118.6(9) . . ?
C56 C51 Se5 121.1(9) . . ?
Se5 C51 Se5 51.6(4) 6_656 . ?
C52 C51 Se5 102.0(12) 6_656 . ?
C52 C52 C51 94.5(9) 6_656 . ?
C52 C52 C53 117.8(18) 6_656 . ?
C51 C52 C53 120.0 . . ?
C52 C52 C51 57.1(12) 6_656 6_656 ?
C51 C52 C51 49.3(10) . 6_656 ?
C53 C52 C51 163.1(14) . 6_656 ?
C52 C52 C53 40.6(11) 6_656 6_656 ?
C51 C52 C53 132.3(10) . 6_656 ?
C53 C52 C53 99.7(7) . 6_656 ?
C51 C52 C53 85.4(11) 6_656 6_656 ?
C54 C53 C52 120.0 . . ?
C54 C53 C52 126.5(9) . 6_656 ?
C52 C53 C52 21.6(11) . 6_656 ?
C53 C54 C55 120.0 . . ?
C54 C55 C56 120.0 . . ?
C55 C56 C51 120.0 . . ?
C55 C56 Se5 171.8(10) . 6_656 ?
C51 C56 Se5 55.7(8) . 6_656 ?
C16 N4 C20 120.0 . . ?
C17 C16 N4 120.0 . . ?
C16 C17 C18 120.0 . . ?
C19 C18 C17 120.0 . . ?
C18 C19 C20 120.0 . . ?
C19 C20 N4 120.0 . . ?
C61 Se6 Se6 86.2(7) 2_565 2_565 ?
C61 Se6 C66 54.5(10) 2_565 2_565 ?
Se6 Se6 C66 140.6(13) 2_565 2_565 ?
C61 Se6 C61 41.3(11) 2_565 . ?
Se6 Se6 C61 44.9(5) 2_565 . ?
C66 Se6 C61 95.8(18) 2_565 . ?
C61 Se6 Sm2 127.9(8) 2_565 . ?
Se6 Se6 Sm2 75.37(5) 2_565 . ?
C66 Se6 Sm2 128.5(16) 2_565 . ?
C61 Se6 Sm2 105.5(6) . . ?
C61 Se6 Sm3 137.5(8) 2_565 5_666 ?
Se6 Se6 Sm3 75.94(5) 2_565 5_666 ?
C66 Se6 Sm3 130.0(15) 2_565 5_666 ?
C61 Se6 Sm3 111.1(5) . 5_666 ?
Sm2 Se6 Sm3 84.70(7) . 5_666 ?
C61 C61 Se6 93.8(7) 2_565 2_565 ?
C61 C61 C62 74.6(6) 2_565 . ?
Se6 C61 C62 165.7(11) 2_565 . ?
C61 C61 C66 165.4(6) 2_565 . ?
Se6 C61 C66 71.8(11) 2_565 . ?
C62 C61 C66 120.0 . . ?
C61 C61 C62 55.6(8) 2_565 2_565 ?
Se6 C61 C62 148.4(14) 2_565 2_565 ?
C62 C61 C62 19.0(8) . 2_565 ?
C66 C61 C62 139.0(8) . 2_565 ?
C61 C61 Se6 44.9(5) 2_565 . ?
Se6 C61 Se6 48.9(4) 2_565 . ?
C62 C61 Se6 119.0(10) . . ?
C66 C61 Se6 120.7(10) . . ?
C62 C61 Se6 100.1(12) 2_565 . ?
C62 C62 C63 134.6 2_565 . ?
C62 C62 C61 105.4 2_565 . ?
C63 C62 C61 120.0 . . ?
C62 C62 C61 55.6(11) 2_565 2_565 ?
C63 C62 C61 169.8(11) . 2_565 ?
C61 C62 C61 49.8(11) . 2_565 ?
C62 C62 C63 33.0(7) 2_565 2_565 ?
C63 C62 C63 101.7(6) . 2_565 ?
C61 C62 C63 138.3(6) . 2_565 ?
C61 C62 C63 88.6(12) 2_565 2_565 ?
C62 C63 C64 120.0 . . ?
C62 C63 C62 12.4(5) . 2_565 ?
C64 C63 C62 132.4(5) . 2_565 ?
C65 C64 C63 120.0 . . ?
C66 C65 C64 120.0 . . ?
C65 C66 C61 120.0 . . ?
C65 C66 Se6 170.2(9) . 2_565 ?
C61 C66 Se6 53.7(8) . 2_565 ?
C71 Se7 Sm1 104.2(5) . . ?
C71 Se7 Sm2 111.9(5) . . ?
Sm1 Se7 Sm2 84.14(6) . . ?
C72 C71 C76 120.0 . . ?
C72 C71 Se7 117.7(9) . . ?
C76 C71 Se7 122.2(9) . . ?
C71 C72 C73 120.0 . . ?
C74 C73 C72 120.0 . . ?
C73 C74 C75 120.0 . . ?
C76 C75 C74 120.0 . . ?
C75 C76 C71 120.0 . . ?
C81 Se8 Sm3 104.7(6) . . ?
C81 Se8 Sm1 109.8(6) . 2_565 ?
Sm3 Se8 Sm1 83.22(6) . 2_565 ?
C82 C81 C86 120.0 . . ?
C82 C81 Se8 115.5(11) . . ?
C86 C81 Se8 124.5(11) . . ?
C83 C82 C81 120.0 . . ?
C82 C83 C84 120.0 . . ?
C85 C84 C83 120.0 . . ?
C84 C85 C86 120.0 . . ?
C85 C86 C81 120.0 . . ?
C21 N5 C25 120.0 . . ?
N5 C21 C22 120.0 . . ?
C23 C22 C21 120.0 . . ?
C22 C23 C24 120.0 . . ?
C25 C24 C23 120.0 . . ?
C24 C25 N5 120.0 . . ?
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
Sm1 N1 2.592(6) . ?
Sm1 Se5 2.856(2) 6_656 ?
Sm1 Se4 2.912(3) 2_565 ?
Sm1 Se2 2.9140(9) . ?
Sm1 Se1 2.9350(16) . ?
Sm1 Se7 2.944(2) . ?
Sm1 Se1 2.9473(14) 6_656 ?
Sm1 Se3 3.081(2) . ?
Sm1 Se8 3.166(3) 2_565 ?
Sm1 Se5 3.191(3) . ?
Sm1 Sm2 3.9980(11) . ?
Sm1 Sm3 4.0075(12) . ?
N1 C1 1.3900 . ?
N1 C5 1.3900 . ?
C1 C2 1.3900 . ?
C2 C3 1.3900 . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
Sm2 N2 2.574(8) . ?
Sm2 Se6 2.909(3) . ?
Sm2 Se6 2.909(3) 2_565 ?
Sm2 Se1 2.9416(14) . ?
Sm2 Se1 2.9416(14) 2_565 ?
Sm2 Se3 2.942(2) 2_565 ?
Sm2 Se3 2.942(2) . ?
Sm2 Se2 2.966(2) . ?
Sm2 Se7 3.022(2) 2_565 ?
Sm2 Se7 3.022(2) . ?
Sm2 Sm1 3.9980(11) 2_565 ?
N2 C10 1.386(8) 2_565 ?
N2 C10 1.386(8) . ?
N2 C6 1.386(8) 2_565 ?
N2 C6 1.386(8) . ?
C6 C10 0.21(9) 2_565 ?
C6 C7 1.396(8) . ?
C6 C9 1.418(17) 2_565 ?
C7 C9 0.29(8) 2_565 ?
C7 C8 1.389(8) . ?
C7 C10 1.417(16) 2_565 ?
C8 C7 1.389(8) 2_565 ?
C8 C9 1.390(8) 2_565 ?
C8 C9 1.390(8) . ?
C9 C7 0.29(8) 2_565 ?
C9 C10 1.396(8) . ?
C9 C6 1.418(17) 2_565 ?
C10 C6 0.21(9) 2_565 ?
C10 C7 1.417(16) 2_565 ?
Sm3 N3 2.677(11) 2_565 ?
Sm3 N3 2.677(11) . ?
Sm3 Se8 2.859(3) 2_565 ?
Sm3 Se8 2.859(3) . ?
Sm3 Se2 2.936(2) . ?
Sm3 Se1 2.9486(17) 5_666 ?
Sm3 Se1 2.9487(16) 6_656 ?
Sm3 Se6 3.026(3) 5_666 ?
Sm3 Se6 3.026(3) 6_656 ?
Sm3 Se4 3.162(3) . ?
Sm3 Se4 3.162(3) 2_565 ?
Sm3 Sm2 3.9995(13) 5_666 ?
N3 N3 1.20(3) 2_565 ?
N3 C11 1.344(15) 2_565 ?
N3 C11 1.3623 . ?
N3 C15 1.3900 . ?
C11 C11 0.04(4) 2_565 ?
C11 N3 1.344(16) 2_565 ?
C11 C12 1.371(7) 2_565 ?
C11 C12 1.3778 . ?
C12 C12 0.48(4) 2_565 ?
C12 C11 1.371(6) 2_565 ?
C12 C13 1.3900 . ?
C12 C13 1.77(4) 2_565 ?
C13 C14 1.3900 . ?
C13 C12 1.76(4) 2_565 ?
C13 C14 1.94(4) 6_757 ?
C14 C15 1.3900 . ?
C14 C14 1.71(3) 6_757 ?
C14 C13 1.94(2) 6_757 ?
Se1 Sm1 2.9474(14) 6_656 ?
Se1 Sm3 2.9485(16) 5_666 ?
Se2 Sm1 2.9139(9) 2_565 ?
Se3 C31 1.932(11) . ?
C31 C32 1.3900 . ?
C31 C36 1.3900 . ?
C32 C33 1.3900 . ?
C33 C34 1.3900 . ?
C34 C35 1.3900 . ?
C35 C36 1.3900 . ?
Se4 C41 1.908(13) . ?
Se4 Sm1 2.912(3) 2_565 ?
C41 C42 1.3900 . ?
C41 C46 1.3900 . ?
C42 C43 1.3900 . ?
C43 C44 1.3900 . ?
C44 C45 1.3900 . ?
C45 C46 1.3900 . ?
Se5 C51 1.436(14) 6_656 ?
Se5 Se5 1.546(5) 6_656 ?
Se5 C56 1.646(17) 6_656 ?
Se5 C51 1.951(12) . ?
Se5 Sm1 2.856(2) 6_656 ?
C51 C51 1.29(3) 6_656 ?
C51 C52 1.3900 . ?
C51 C56 1.3900 . ?
C51 Se5 1.436(14) 6_656 ?
C51 C52 1.651(15) 6_656 ?
C52 C52 0.79(3) 6_656 ?
C52 C53 1.3900 . ?
C52 C51 1.651(15) 6_656 ?
C52 C53 1.89(3) 6_656 ?
C53 C54 1.3900 . ?
C53 C52 1.89(2) 6_656 ?
C54 C55 1.3900 . ?
C55 C56 1.3900 . ?
C56 Se5 1.646(16) 6_656 ?
N4 C16 1.3900 . ?
N4 C20 1.3900 . ?
C16 C17 1.3900 . ?
C17 C18 1.3900 . ?
C18 C19 1.3900 . ?
C19 C20 1.3900 . ?
Se6 C61 1.376(14) 2_565 ?
Se6 Se6 1.470(5) 2_565 ?
Se6 C66 1.622(17) 2_565 ?
Se6 C61 1.945(13) . ?
Se6 Sm3 3.026(3) 5_666 ?
C61 C61 1.29(3) 2_565 ?
C61 Se6 1.376(14) 2_565 ?
C61 C62 1.3900 . ?
C61 C66 1.3900 . ?
C61 C62 1.624(15) 2_565 ?
C62 C62 0.55(3) 2_565 ?
C62 C63 1.3900 . ?
C62 C61 1.624(14) 2_565 ?
C62 C63 1.82(3) 2_565 ?
C63 C64 1.3900 . ?
C63 C62 1.82(2) 2_565 ?
C64 C65 1.3900 . ?
C65 C66 1.3900 . ?
C66 Se6 1.622(19) 2_565 ?
Se7 C71 1.910(11) . ?
C71 C72 1.3900 . ?
C71 C76 1.3900 . ?
C72 C73 1.3900 . ?
C73 C74 1.3900 . ?
C74 C75 1.3900 . ?
C75 C76 1.3900 . ?
Se8 C81 1.939(13) . ?
Se8 Sm1 3.166(3) 2_565 ?
C81 C82 1.3900 . ?
C81 C86 1.3900 . ?
C82 C83 1.3900 . ?
C83 C84 1.3900 . ?
C84 C85 1.3900 . ?
C85 C86 1.3900 . ?
N5 C21 1.3900 . ?
N5 C25 1.3900 . ?
C21 C22 1.3900 . ?
C22 C23 1.3900 . ?
C23 C24 1.3900 . ?
C24 C25 1.3900 . ?
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
Se5 Sm1 N1 C1 131.1(5) 6_656 . . . ?
Se4 Sm1 N1 C1 44.5(5) 2_565 . . . ?
Se2 Sm1 N1 C1 -36.4(5) . . . . ?
Se1 Sm1 N1 C1 -148.8(4) . . . . ?
Se7 Sm1 N1 C1 -107.4(5) . . . . ?
Se1 Sm1 N1 C1 88.6(5) 6_656 . . . ?
Se3 Sm1 N1 C1 -75.4(5) . . . . ?
Se8 Sm1 N1 C1 15.1(5) 2_565 . . . ?
Se5 Sm1 N1 C1 160.1(5) . . . . ?
Sm2 Sm1 N1 C1 -93.1(5) . . . . ?
Sm3 Sm1 N1 C1 24.1(5) . . . . ?
Se5 Sm1 N1 C5 -57.4(4) 6_656 . . . ?
Se4 Sm1 N1 C5 -144.0(5) 2_565 . . . ?
Se2 Sm1 N1 C5 135.1(4) . . . . ?
Se1 Sm1 N1 C5 22.7(5) . . . . ?
Se7 Sm1 N1 C5 64.1(4) . . . . ?
Se1 Sm1 N1 C5 -99.9(5) 6_656 . . . ?
Se3 Sm1 N1 C5 96.1(4) . . . . ?
Se8 Sm1 N1 C5 -173.4(4) 2_565 . . . ?
Se5 Sm1 N1 C5 -28.4(4) . . . . ?
Sm2 Sm1 N1 C5 78.4(5) . . . . ?
Sm3 Sm1 N1 C5 -164.4(4) . . . . ?
C5 N1 C1 C2 0.0 . . . . ?
Sm1 N1 C1 C2 171.3(5) . . . . ?
N1 C1 C2 C3 0.0 . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C4 C5 N1 0.0 . . . . ?
C1 N1 C5 C4 0.0 . . . . ?
Sm1 N1 C5 C4 -171.7(5) . . . . ?
N1 Sm1 Sm2 N2 -6.4(4) . . . . ?
Se5 Sm1 Sm2 N2 98.1(4) 6_656 . . . ?
Se4 Sm1 Sm2 N2 -113.9(4) 2_565 . . . ?
Se2 Sm1 Sm2 N2 -121.4(4) . . . . ?
Se1 Sm1 Sm2 N2 105.8(4) . . . . ?
Se7 Sm1 Sm2 N2 11.8(4) . . . . ?
Se1 Sm1 Sm2 N2 172.4(4) 6_656 . . . ?
Se3 Sm1 Sm2 N2 -30.0(4) . . . . ?
Se8 Sm1 Sm2 N2 -100.1(4) 2_565 . . . ?
Se5 Sm1 Sm2 N2 85.9(4) . . . . ?
Sm3 Sm1 Sm2 N2 -142.3(3) . . . . ?
N1 Sm1 Sm2 Se6 -88.1(2) . . . . ?
Se5 Sm1 Sm2 Se6 16.30(10) 6_656 . . . ?
Se4 Sm1 Sm2 Se6 164.33(9) 2_565 . . . ?
Se2 Sm1 Sm2 Se6 156.82(7) . . . . ?
Se1 Sm1 Sm2 Se6 24.08(6) . . . . ?
Se7 Sm1 Sm2 Se6 -69.93(8) . . . . ?
Se1 Sm1 Sm2 Se6 90.68(7) 6_656 . . . ?
Se3 Sm1 Sm2 Se6 -111.74(8) . . . . ?
Se8 Sm1 Sm2 Se6 178.12(7) 2_565 . . . ?
Se5 Sm1 Sm2 Se6 4.11(7) . . . . ?
Sm3 Sm1 Sm2 Se6 135.90(6) . . . . ?
N1 Sm1 Sm2 Se6 -108.1(2) . . . 2_565 ?
Se5 Sm1 Sm2 Se6 -3.67(11) 6_656 . . 2_565 ?
Se4 Sm1 Sm2 Se6 144.36(10) 2_565 . . 2_565 ?
Se2 Sm1 Sm2 Se6 136.85(9) . . . 2_565 ?
Se1 Sm1 Sm2 Se6 4.11(8) . . . 2_565 ?
Se7 Sm1 Sm2 Se6 -89.90(9) . . . 2_565 ?
Se1 Sm1 Sm2 Se6 70.71(8) 6_656 . . 2_565 ?
Se3 Sm1 Sm2 Se6 -131.71(9) . . . 2_565 ?
Se8 Sm1 Sm2 Se6 158.15(8) 2_565 . . 2_565 ?
Se5 Sm1 Sm2 Se6 -15.86(9) . . . 2_565 ?
Sm3 Sm1 Sm2 Se6 115.93(7) . . . 2_565 ?
N1 Sm1 Sm2 Se1 -112.2(2) . . . . ?
Se5 Sm1 Sm2 Se1 -7.78(8) 6_656 . . . ?
Se4 Sm1 Sm2 Se1 140.25(8) 2_565 . . . ?
Se2 Sm1 Sm2 Se1 132.74(6) . . . . ?
Se7 Sm1 Sm2 Se1 -94.01(7) . . . . ?
Se1 Sm1 Sm2 Se1 66.60(4) 6_656 . . . ?
Se3 Sm1 Sm2 Se1 -135.82(7) . . . . ?
Se8 Sm1 Sm2 Se1 154.04(6) 2_565 . . . ?
Se5 Sm1 Sm2 Se1 -19.97(6) . . . . ?
Sm3 Sm1 Sm2 Se1 111.82(4) . . . . ?
N1 Sm1 Sm2 Se1 -179.4(2) . . . 2_565 ?
Se5 Sm1 Sm2 Se1 -74.97(8) 6_656 . . 2_565 ?
Se4 Sm1 Sm2 Se1 73.05(9) 2_565 . . 2_565 ?
Se2 Sm1 Sm2 Se1 65.55(6) . . . 2_565 ?
Se1 Sm1 Sm2 Se1 -67.19(6) . . . 2_565 ?
Se7 Sm1 Sm2 Se1 -161.20(7) . . . 2_565 ?
Se1 Sm1 Sm2 Se1 -0.60(7) 6_656 . . 2_565 ?
Se3 Sm1 Sm2 Se1 156.99(7) . . . 2_565 ?
Se8 Sm1 Sm2 Se1 86.85(6) 2_565 . . 2_565 ?
Se5 Sm1 Sm2 Se1 -87.17(6) . . . 2_565 ?
Sm3 Sm1 Sm2 Se1 44.63(4) . . . 2_565 ?
N1 Sm1 Sm2 Se3 88.2(2) . . . 2_565 ?
Se5 Sm1 Sm2 Se3 -167.35(9) 6_656 . . 2_565 ?
Se4 Sm1 Sm2 Se3 -19.33(9) 2_565 . . 2_565 ?
Se2 Sm1 Sm2 Se3 -26.83(6) . . . 2_565 ?
Se1 Sm1 Sm2 Se3 -159.57(6) . . . 2_565 ?
Se7 Sm1 Sm2 Se3 106.42(8) . . . 2_565 ?
Se1 Sm1 Sm2 Se3 -92.98(6) 6_656 . . 2_565 ?
Se3 Sm1 Sm2 Se3 64.61(8) . . . 2_565 ?
Se8 Sm1 Sm2 Se3 -5.53(7) 2_565 . . 2_565 ?
Se5 Sm1 Sm2 Se3 -179.55(6) . . . 2_565 ?
Sm3 Sm1 Sm2 Se3 -47.75(5) . . . 2_565 ?
N1 Sm1 Sm2 Se3 23.6(2) . . . . ?
Se5 Sm1 Sm2 Se3 128.04(10) 6_656 . . . ?
Se4 Sm1 Sm2 Se3 -83.93(10) 2_565 . . . ?
Se2 Sm1 Sm2 Se3 -91.44(7) . . . . ?
Se1 Sm1 Sm2 Se3 135.82(7) . . . . ?
Se7 Sm1 Sm2 Se3 41.81(8) . . . . ?
Se1 Sm1 Sm2 Se3 -157.58(7) 6_656 . . . ?
Se8 Sm1 Sm2 Se3 -70.14(8) 2_565 . . . ?
Se5 Sm1 Sm2 Se3 115.85(7) . . . . ?
Sm3 Sm1 Sm2 Se3 -112.36(6) . . . . ?
N1 Sm1 Sm2 Se2 115.1(2) . . . . ?
Se5 Sm1 Sm2 Se2 -140.52(9) 6_656 . . . ?
Se4 Sm1 Sm2 Se2 7.50(9) 2_565 . . . ?
Se1 Sm1 Sm2 Se2 -132.74(6) . . . . ?
Se7 Sm1 Sm2 Se2 133.25(8) . . . . ?
Se1 Sm1 Sm2 Se2 -66.15(6) 6_656 . . . ?
Se3 Sm1 Sm2 Se2 91.44(7) . . . . ?
Se8 Sm1 Sm2 Se2 21.30(7) 2_565 . . . ?
Se5 Sm1 Sm2 Se2 -152.72(6) . . . . ?
Sm3 Sm1 Sm2 Se2 -20.92(5) . . . . ?
N1 Sm1 Sm2 Se7 110.8(2) . . . 2_565 ?
Se5 Sm1 Sm2 Se7 -144.77(9) 6_656 . . 2_565 ?
Se4 Sm1 Sm2 Se7 3.26(11) 2_565 . . 2_565 ?
Se2 Sm1 Sm2 Se7 -4.25(8) . . . 2_565 ?
Se1 Sm1 Sm2 Se7 -136.99(7) . . . 2_565 ?
Se7 Sm1 Sm2 Se7 129.00(12) . . . 2_565 ?
Se1 Sm1 Sm2 Se7 -70.39(8) 6_656 . . 2_565 ?
Se3 Sm1 Sm2 Se7 87.19(9) . . . 2_565 ?
Se8 Sm1 Sm2 Se7 17.05(8) 2_565 . . 2_565 ?
Se5 Sm1 Sm2 Se7 -156.97(8) . . . 2_565 ?
Sm3 Sm1 Sm2 Se7 -25.17(7) . . . 2_565 ?
N1 Sm1 Sm2 Se7 -18.2(2) . . . . ?
Se5 Sm1 Sm2 Se7 86.23(10) 6_656 . . . ?
Se4 Sm1 Sm2 Se7 -125.74(10) 2_565 . . . ?
Se2 Sm1 Sm2 Se7 -133.25(8) . . . . ?
Se1 Sm1 Sm2 Se7 94.01(7) . . . . ?
Se1 Sm1 Sm2 Se7 160.61(8) 6_656 . . . ?
Se3 Sm1 Sm2 Se7 -41.81(8) . . . . ?
Se8 Sm1 Sm2 Se7 -111.95(8) 2_565 . . . ?
Se5 Sm1 Sm2 Se7 74.04(8) . . . . ?
Sm3 Sm1 Sm2 Se7 -154.17(7) . . . . ?
N1 Sm1 Sm2 Sm1 135.8(2) . . . 2_565 ?
Se5 Sm1 Sm2 Sm1 -119.75(8) 6_656 . . 2_565 ?
Se4 Sm1 Sm2 Sm1 28.27(8) 2_565 . . 2_565 ?
Se2 Sm1 Sm2 Sm1 20.77(5) . . . 2_565 ?
Se1 Sm1 Sm2 Sm1 -111.98(4) . . . 2_565 ?
Se7 Sm1 Sm2 Sm1 154.01(6) . . . 2_565 ?
Se1 Sm1 Sm2 Sm1 -45.38(5) 6_656 . . 2_565 ?
Se3 Sm1 Sm2 Sm1 112.21(6) . . . 2_565 ?
Se8 Sm1 Sm2 Sm1 42.06(6) 2_565 . . 2_565 ?
Se5 Sm1 Sm2 Sm1 -131.95(5) . . . 2_565 ?
Sm3 Sm1 Sm2 Sm1 -0.15(3) . . . 2_565 ?
Se6 Sm2 N2 C10 -97(2) . . . 2_565 ?
Se6 Sm2 N2 C10 -67(2) 2_565 . . 2_565 ?
Se1 Sm2 N2 C10 -138(2) . . . 2_565 ?
Se1 Sm2 N2 C10 -26(2) 2_565 . . 2_565 ?
Se3 Sm2 N2 C10 56(2) 2_565 . . 2_565 ?
Se3 Sm2 N2 C10 140(2) . . . 2_565 ?
Se2 Sm2 N2 C10 98(2) . . . 2_565 ?
Se7 Sm2 N2 C10 25(2) 2_565 . . 2_565 ?
Se7 Sm2 N2 C10 171(2) . . . 2_565 ?
Sm1 Sm2 N2 C10 34(2) 2_565 . . 2_565 ?
Sm1 Sm2 N2 C10 162(2) . . . 2_565 ?
Se6 Sm2 N2 C10 67(2) . . . . ?
Se6 Sm2 N2 C10 97(2) 2_565 . . . ?
Se1 Sm2 N2 C10 26(2) . . . . ?
Se1 Sm2 N2 C10 138(2) 2_565 . . . ?
Se3 Sm2 N2 C10 -140(2) 2_565 . . . ?
Se3 Sm2 N2 C10 -56(2) . . . . ?
Se2 Sm2 N2 C10 -98(2) . . . . ?
Se7 Sm2 N2 C10 -171(2) 2_565 . . . ?
Se7 Sm2 N2 C10 -25(2) . . . . ?
Sm1 Sm2 N2 C10 -162(2) 2_565 . . . ?
Sm1 Sm2 N2 C10 -34(2) . . . . ?
Se6 Sm2 N2 C6 76(3) . . . 2_565 ?
Se6 Sm2 N2 C6 107(3) 2_565 . . 2_565 ?
Se1 Sm2 N2 C6 36(3) . . . 2_565 ?
Se1 Sm2 N2 C6 148(3) 2_565 . . 2_565 ?
Se3 Sm2 N2 C6 -130(3) 2_565 . . 2_565 ?
Se3 Sm2 N2 C6 -47(3) . . . 2_565 ?
Se2 Sm2 N2 C6 -88(3) . . . 2_565 ?
Se7 Sm2 N2 C6 -161(3) 2_565 . . 2_565 ?
Se7 Sm2 N2 C6 -15(3) . . . 2_565 ?
Sm1 Sm2 N2 C6 -152(3) 2_565 . . 2_565 ?
Sm1 Sm2 N2 C6 -24(3) . . . 2_565 ?
Se6 Sm2 N2 C6 -107(3) . . . . ?
Se6 Sm2 N2 C6 -76(3) 2_565 . . . ?
Se1 Sm2 N2 C6 -148(3) . . . . ?
Se1 Sm2 N2 C6 -36(3) 2_565 . . . ?
Se3 Sm2 N2 C6 47(3) 2_565 . . . ?
Se3 Sm2 N2 C6 130(3) . . . . ?
Se2 Sm2 N2 C6 88(3) . . . . ?
Se7 Sm2 N2 C6 15(3) 2_565 . . . ?
Se7 Sm2 N2 C6 161(3) . . . . ?
Sm1 Sm2 N2 C6 24(3) 2_565 . . . ?
Sm1 Sm2 N2 C6 152(3) . . . . ?
C10 N2 C6 C10 -92(3) . . . 2_565 ?
C6 N2 C6 C10 -102(4) 2_565 . . 2_565 ?
Sm2 N2 C6 C10 82(3) . . . 2_565 ?
C10 N2 C6 C7 89(5) 2_565 . . . ?
C10 N2 C6 C7 -3(4) . . . . ?
C6 N2 C6 C7 -13(8) 2_565 . . . ?
Sm2 N2 C6 C7 171(3) . . . . ?
C10 N2 C6 C9 76(5) 2_565 . . 2_565 ?
C10 N2 C6 C9 -16(4) . . . 2_565 ?
C6 N2 C6 C9 -26(8) 2_565 . . 2_565 ?
Sm2 N2 C6 C9 158(3) . . . 2_565 ?
C10 C6 C7 C9 1(4) 2_565 . . 2_565 ?
N2 C6 C7 C9 -85(5) . . . 2_565 ?
C10 C6 C7 C8 83(5) 2_565 . . . ?
N2 C6 C7 C8 -3(6) . . . . ?
C9 C6 C7 C8 82(4) 2_565 . . . ?
N2 C6 C7 C10 -86(5) . . . 2_565 ?
C9 C6 C7 C10 -1(4) 2_565 . . 2_565 ?
C9 C7 C8 C7 103(4) 2_565 . . 2_565 ?
C6 C7 C8 C7 18(7) . . . 2_565 ?
C10 C7 C8 C7 28(7) 2_565 . . 2_565 ?
C6 C7 C8 C9 -85(4) . . . 2_565 ?
C10 C7 C8 C9 -75(4) 2_565 . . 2_565 ?
C9 C7 C8 C9 90(3) 2_565 . . . ?
C6 C7 C8 C9 5(4) . . . . ?
C10 C7 C8 C9 14(4) 2_565 . . . ?
C7 C8 C9 C7 84(3) . . . 2_565 ?
C9 C8 C9 C7 97(4) 2_565 . . 2_565 ?
C7 C8 C9 C10 -1(4) . . . . ?
C7 C8 C9 C10 -84(4) 2_565 . . . ?
C9 C8 C9 C10 13(6) 2_565 . . . ?
C7 C8 C9 C6 9(4) . . . 2_565 ?
C7 C8 C9 C6 -75(4) 2_565 . . 2_565 ?
C9 C8 C9 C6 23(7) 2_565 . . 2_565 ?
C10 N2 C10 C6 -93(4) 2_565 . . 2_565 ?
C6 N2 C10 C6 -83(3) . . . 2_565 ?
Sm2 N2 C10 C6 103(3) . . . 2_565 ?
C10 N2 C10 C9 -3(6) 2_565 . . . ?
C6 N2 C10 C9 89(4) 2_565 . . . ?
C6 N2 C10 C9 7(3) . . . . ?
Sm2 N2 C10 C9 -167(3) . . . . ?
C10 N2 C10 C7 -17(7) 2_565 . . 2_565 ?
C6 N2 C10 C7 76(5) 2_565 . . 2_565 ?
C6 N2 C10 C7 -7(4) . . . 2_565 ?
Sm2 N2 C10 C7 179(3) . . . 2_565 ?
C7 C9 C10 C6 -1(4) 2_565 . . 2_565 ?
C8 C9 C10 C6 81(5) . . . 2_565 ?
C7 C9 C10 N2 -87(4) 2_565 . . . ?
C8 C9 C10 N2 -5(6) . . . . ?
C6 C9 C10 N2 -86(4) 2_565 . . . ?
C8 C9 C10 C7 82(4) . . . 2_565 ?
C6 C9 C10 C7 1(4) 2_565 . . 2_565 ?
Se8 Sm3 N3 N3 -131.11(11) 2_565 . . 2_565 ?
Se8 Sm3 N3 N3 -45.00(9) . . . 2_565 ?
Se2 Sm3 N3 N3 -101.8(3) . . . 2_565 ?
Se1 Sm3 N3 N3 39.2(3) 5_666 . . 2_565 ?
Se1 Sm3 N3 N3 151.8(2) 6_656 . . 2_565 ?
Se6 Sm3 N3 N3 73.22(11) 5_666 . . 2_565 ?
Se6 Sm3 N3 N3 101.26(12) 6_656 . . 2_565 ?
Se4 Sm3 N3 N3 -16.39(6) . . . 2_565 ?
Se4 Sm3 N3 N3 -162.61(7) 2_565 . . 2_565 ?
Sm2 Sm3 N3 N3 97.9(2) 5_666 . . 2_565 ?
N3 Sm3 N3 C11 50.4(13) 2_565 . . 2_565 ?
Se8 Sm3 N3 C11 -80.8(12) 2_565 . . 2_565 ?
Se8 Sm3 N3 C11 5.3(12) . . . 2_565 ?
Se2 Sm3 N3 C11 -51.4(15) . . . 2_565 ?
Se1 Sm3 N3 C11 89.6(11) 5_666 . . 2_565 ?
Se1 Sm3 N3 C11 -157.8(11) 6_656 . . 2_565 ?
Se6 Sm3 N3 C11 123.6(13) 5_666 . . 2_565 ?
Se6 Sm3 N3 C11 151.6(13) 6_656 . . 2_565 ?
Se4 Sm3 N3 C11 34.0(13) . . . 2_565 ?
Se4 Sm3 N3 C11 -112.3(12) 2_565 . . 2_565 ?
Sm2 Sm3 N3 C11 148.2(11) 5_666 . . 2_565 ?
N3 Sm3 N3 C11 48.9(9) 2_565 . . . ?
Se8 Sm3 N3 C11 -82.2(9) 2_565 . . . ?
Se8 Sm3 N3 C11 3.9(9) . . . . ?
Se2 Sm3 N3 C11 -52.9(10) . . . . ?
Se1 Sm3 N3 C11 88.1(9) 5_666 . . . ?
Se1 Sm3 N3 C11 -159.3(8) 6_656 . . . ?
Se6 Sm3 N3 C11 122.1(9) 5_666 . . . ?
Se6 Sm3 N3 C11 150.2(9) 6_656 . . . ?
Se4 Sm3 N3 C11 32.5(9) . . . . ?
Se4 Sm3 N3 C11 -113.7(9) 2_565 . . . ?
Sm2 Sm3 N3 C11 146.8(8) 5_666 . . . ?
N3 Sm3 N3 C15 -136.5(9) 2_565 . . . ?
Se8 Sm3 N3 C15 92.4(9) 2_565 . . . ?
Se8 Sm3 N3 C15 178.5(9) . . . . ?
Se2 Sm3 N3 C15 121.7(8) . . . . ?
Se1 Sm3 N3 C15 -97.3(10) 5_666 . . . ?
Se1 Sm3 N3 C15 15.3(10) 6_656 . . . ?
Se6 Sm3 N3 C15 -63.3(9) 5_666 . . . ?
Se6 Sm3 N3 C15 -35.3(8) 6_656 . . . ?
Se4 Sm3 N3 C15 -152.9(9) . . . . ?
Se4 Sm3 N3 C15 60.9(9) 2_565 . . . ?
Sm2 Sm3 N3 C15 -38.6(10) 5_666 . . . ?
N3 N3 C11 C11 -180(100) 2_565 . . 2_565 ?
C15 N3 C11 C11 -50.2(11) . . . 2_565 ?
Sm3 N3 C11 C11 124.6(13) . . . 2_565 ?
C11 N3 C11 N3 180(100) 2_565 . . 2_565 ?
C15 N3 C11 N3 129.7(7) . . . 2_565 ?
Sm3 N3 C11 N3 -55.5(8) . . . 2_565 ?
N3 N3 C11 C12 -105(2) 2_565 . . 2_565 ?
C11 N3 C11 C12 75(3) 2_565 . . 2_565 ?
C15 N3 C11 C12 25(2) . . . 2_565 ?
Sm3 N3 C11 C12 -160(2) . . . 2_565 ?
N3 N3 C11 C12 -125.6(7) 2_565 . . . ?
C11 N3 C11 C12 54.3(10) 2_565 . . . ?
C15 N3 C11 C12 4.1 . . . . ?
Sm3 N3 C11 C12 178.9(10) . . . . ?
C11 C11 C12 C12 180(100) 2_565 . . 2_565 ?
N3 C11 C12 C12 64.4(18) 2_565 . . 2_565 ?
N3 C11 C12 C12 132.5 . . . 2_565 ?
N3 C11 C12 C11 -115.4(16) 2_565 . . 2_565 ?
C12 C11 C12 C11 -180(100) 2_565 . . 2_565 ?
N3 C11 C12 C11 -47.4(6) . . . 2_565 ?
C11 C11 C12 C13 43.3(4) 2_565 . . . ?
N3 C11 C12 C13 -72.1(18) 2_565 . . . ?
C12 C11 C12 C13 -136.5 2_565 . . . ?
N3 C11 C12 C13 -4.1 . . . . ?
C11 C11 C12 C13 151.2(8) 2_565 . . 2_565 ?
N3 C11 C12 C13 36(2) 2_565 . . 2_565 ?
C12 C11 C12 C13 -28.7(7) 2_565 . . 2_565 ?
N3 C11 C12 C13 103.8(6) . . . 2_565 ?
C12 C12 C13 C14 -102.3 2_565 . . . ?
C11 C12 C13 C14 3.2(11) 2_565 . . . ?
C11 C12 C13 C14 1.9 . . . . ?
C13 C12 C13 C14 -102.4 2_565 . . . ?
C11 C12 C13 C12 105.6(11) 2_565 . . 2_565 ?
C11 C12 C13 C12 104.27(10) . . . 2_565 ?
C13 C12 C13 C12 -0.01(10) 2_565 . . 2_565 ?
C12 C12 C13 C14 -22(3) 2_565 . . 6_757 ?
C11 C12 C13 C14 83(4) 2_565 . . 6_757 ?
C11 C12 C13 C14 82(3) . . . 6_757 ?
C13 C12 C13 C14 -22(3) 2_565 . . 6_757 ?
C12 C13 C14 C15 0.0 . . . . ?
C12 C13 C14 C15 -12.5(9) 2_565 . . . ?
C14 C13 C14 C15 -148.9(11) 6_757 . . . ?
C12 C13 C14 C14 148.9(11) . . . 6_757 ?
C12 C13 C14 C14 136.4(13) 2_565 . . 6_757 ?
C12 C13 C14 C13 111.0(11) . . . 6_757 ?
C12 C13 C14 C13 98.4(14) 2_565 . . 6_757 ?
C14 C13 C14 C13 -37.9(6) 6_757 . . 6_757 ?
C13 C14 C15 N3 0.0 . . . . ?
C14 C14 C15 N3 -113.2(17) 6_757 . . . ?
C13 C14 C15 N3 -109.5(8) 6_757 . . . ?
N3 N3 C15 C14 77.6(9) 2_565 . . . ?
C11 N3 C15 C14 -3.3(12) 2_565 . . . ?
C11 N3 C15 C14 -2.0 . . . . ?
Sm3 N3 C15 C14 -176.5(10) . . . . ?
N1 Sm1 Se1 Sm2 98.9(2) . . . . ?
Se5 Sm1 Se1 Sm2 174.51(6) 6_656 . . . ?
Se4 Sm1 Se1 Sm2 -109.81(13) 2_565 . . . ?
Se2 Sm1 Se1 Sm2 -33.05(4) . . . . ?
Se7 Sm1 Se1 Sm2 55.30(5) . . . . ?
Se1 Sm1 Se1 Sm2 -117.85(3) 6_656 . . . ?
Se3 Sm1 Se1 Sm2 30.71(5) . . . . ?
Se8 Sm1 Se1 Sm2 -50.29(11) 2_565 . . . ?
Se5 Sm1 Se1 Sm2 158.69(6) . . . . ?
Sm3 Sm1 Se1 Sm2 -75.33(3) . . . . ?
N1 Sm1 Se1 Sm1 -111.9(2) . . . 6_656 ?
Se5 Sm1 Se1 Sm1 -36.21(6) 6_656 . . 6_656 ?
Se4 Sm1 Se1 Sm1 39.47(14) 2_565 . . 6_656 ?
Se2 Sm1 Se1 Sm1 116.23(5) . . . 6_656 ?
Se7 Sm1 Se1 Sm1 -155.42(6) . . . 6_656 ?
Se1 Sm1 Se1 Sm1 31.43(5) 6_656 . . 6_656 ?
Se3 Sm1 Se1 Sm1 179.99(5) . . . 6_656 ?
Se8 Sm1 Se1 Sm1 98.98(10) 2_565 . . 6_656 ?
Se5 Sm1 Se1 Sm1 -52.03(5) . . . 6_656 ?
Sm2 Sm1 Se1 Sm1 149.28(5) . . . 6_656 ?
Sm3 Sm1 Se1 Sm1 73.95(4) . . . 6_656 ?
N1 Sm1 Se1 Sm3 173.2(2) . . . 5_666 ?
Se5 Sm1 Se1 Sm3 -111.15(10) 6_656 . . 5_666 ?
Se4 Sm1 Se1 Sm3 -35.46(18) 2_565 . . 5_666 ?
Se2 Sm1 Se1 Sm3 41.29(10) . . . 5_666 ?
Se7 Sm1 Se1 Sm3 129.64(11) . . . 5_666 ?
Se1 Sm1 Se1 Sm3 -43.50(10) 6_656 . . 5_666 ?
Se3 Sm1 Se1 Sm3 105.06(10) . . . 5_666 ?
Se8 Sm1 Se1 Sm3 24.05(16) 2_565 . . 5_666 ?
Se5 Sm1 Se1 Sm3 -126.96(10) . . . 5_666 ?
Sm2 Sm1 Se1 Sm3 74.34(9) . . . 5_666 ?
Sm3 Sm1 Se1 Sm3 -0.99(10) . . . 5_666 ?
N2 Sm2 Se1 Sm1 -112.5(3) . . . . ?
Se6 Sm2 Se1 Sm1 -155.03(7) . . . . ?
Se6 Sm2 Se1 Sm1 -177.00(6) 2_565 . . . ?
Se1 Sm2 Se1 Sm1 116.85(4) 2_565 . . . ?
Se3 Sm2 Se1 Sm1 39.52(11) 2_565 . . . ?
Se3 Sm2 Se1 Sm1 -32.25(5) . . . . ?
Se2 Sm2 Se1 Sm1 32.47(3) . . . . ?
Se7 Sm2 Se1 Sm1 100.79(11) 2_565 . . . ?
Se7 Sm2 Se1 Sm1 -53.88(6) . . . . ?
Sm1 Sm2 Se1 Sm1 74.18(4) 2_565 . . . ?
N2 Sm2 Se1 Sm1 172.2(3) . . . 6_656 ?
Se6 Sm2 Se1 Sm1 129.70(13) . . . 6_656 ?
Se6 Sm2 Se1 Sm1 107.74(12) 2_565 . . 6_656 ?
Se1 Sm2 Se1 Sm1 41.58(13) 2_565 . . 6_656 ?
Se3 Sm2 Se1 Sm1 -35.74(17) 2_565 . . 6_656 ?
Se3 Sm2 Se1 Sm1 -107.51(12) . . . 6_656 ?
Se2 Sm2 Se1 Sm1 -42.80(11) . . . 6_656 ?
Se7 Sm2 Se1 Sm1 25.52(18) 2_565 . . 6_656 ?
Se7 Sm2 Se1 Sm1 -129.14(12) . . . 6_656 ?
Sm1 Sm2 Se1 Sm1 -1.08(12) 2_565 . . 6_656 ?
Sm1 Sm2 Se1 Sm1 -75.26(10) . . . 6_656 ?
N2 Sm2 Se1 Sm3 97.9(3) . . . 5_666 ?
Se6 Sm2 Se1 Sm3 55.41(6) . . . 5_666 ?
Se6 Sm2 Se1 Sm3 33.44(5) 2_565 . . 5_666 ?
Se1 Sm2 Se1 Sm3 -32.71(5) 2_565 . . 5_666 ?
Se3 Sm2 Se1 Sm3 -110.04(10) 2_565 . . 5_666 ?
Se3 Sm2 Se1 Sm3 178.19(5) . . . 5_666 ?
Se2 Sm2 Se1 Sm3 -117.09(4) . . . 5_666 ?
Se7 Sm2 Se1 Sm3 -48.77(12) 2_565 . . 5_666 ?
Se7 Sm2 Se1 Sm3 156.56(6) . . . 5_666 ?
Sm1 Sm2 Se1 Sm3 -75.38(4) 2_565 . . 5_666 ?
Sm1 Sm2 Se1 Sm3 -149.56(5) . . . 5_666 ?
N1 Sm1 Se2 Sm1 -171.4(2) . . . 2_565 ?
Se5 Sm1 Se2 Sm1 35.3(2) 6_656 . . 2_565 ?
Se4 Sm1 Se2 Sm1 111.37(14) 2_565 . . 2_565 ?
Se1 Sm1 Se2 Sm1 -41.11(14) . . . 2_565 ?
Se7 Sm1 Se2 Sm1 -107.15(14) . . . 2_565 ?
Se1 Sm1 Se2 Sm1 44.27(14) 6_656 . . 2_565 ?
Se3 Sm1 Se2 Sm1 -128.54(15) . . . 2_565 ?
Se8 Sm1 Se2 Sm1 128.65(15) 2_565 . . 2_565 ?
Se5 Sm1 Se2 Sm1 -21.9(2) . . . 2_565 ?
Sm2 Sm1 Se2 Sm1 -73.86(13) . . . 2_565 ?
Sm3 Sm1 Se2 Sm1 76.91(13) . . . 2_565 ?
N1 Sm1 Se2 Sm3 111.7(2) . . . . ?
Se5 Sm1 Se2 Sm3 -41.60(15) 6_656 . . . ?
Se4 Sm1 Se2 Sm3 34.46(6) 2_565 . . . ?
Se1 Sm1 Se2 Sm3 -118.02(5) . . . . ?
Se7 Sm1 Se2 Sm3 175.94(6) . . . . ?
Se1 Sm1 Se2 Sm3 -32.65(4) 6_656 . . . ?
Se3 Sm1 Se2 Sm3 154.54(7) . . . . ?
Se8 Sm1 Se2 Sm3 51.74(6) 2_565 . . . ?
Se5 Sm1 Se2 Sm3 -98.84(11) . . . . ?
Sm2 Sm1 Se2 Sm3 -150.77(6) . . . . ?
N1 Sm1 Se2 Sm2 -97.5(2) . . . . ?
Se5 Sm1 Se2 Sm2 109.17(14) 6_656 . . . ?
Se4 Sm1 Se2 Sm2 -174.77(6) 2_565 . . . ?
Se1 Sm1 Se2 Sm2 32.75(4) . . . . ?
Se7 Sm1 Se2 Sm2 -33.29(5) . . . . ?
Se1 Sm1 Se2 Sm2 118.13(5) 6_656 . . . ?
Se3 Sm1 Se2 Sm2 -54.68(6) . . . . ?
Se8 Sm1 Se2 Sm2 -157.49(7) 2_565 . . . ?
Se5 Sm1 Se2 Sm2 51.94(11) . . . . ?
Sm3 Sm1 Se2 Sm2 150.77(6) . . . . ?
N3 Sm3 Se2 Sm1 87.4(5) 2_565 . . 2_565 ?
N3 Sm3 Se2 Sm1 122.2(5) . . . 2_565 ?
Se8 Sm3 Se2 Sm1 151.98(7) 2_565 . . 2_565 ?
Se8 Sm3 Se2 Sm1 57.65(6) . . . 2_565 ?
Se1 Sm3 Se2 Sm1 -32.66(4) 5_666 . . 2_565 ?
Se1 Sm3 Se2 Sm1 -117.72(5) 6_656 . . 2_565 ?
Se6 Sm3 Se2 Sm1 -48.70(10) 5_666 . . 2_565 ?
Se6 Sm3 Se2 Sm1 -101.68(9) 6_656 . . 2_565 ?
Se4 Sm3 Se2 Sm1 31.64(6) . . . 2_565 ?
Se4 Sm3 Se2 Sm1 177.98(6) 2_565 . . 2_565 ?
Sm2 Sm3 Se2 Sm1 -75.19(4) 5_666 . . 2_565 ?
N3 Sm3 Se2 Sm1 -122.2(5) 2_565 . . . ?
N3 Sm3 Se2 Sm1 -87.4(5) . . . . ?
Se8 Sm3 Se2 Sm1 -57.64(6) 2_565 . . . ?
Se8 Sm3 Se2 Sm1 -151.97(7) . . . . ?
Se1 Sm3 Se2 Sm1 117.72(5) 5_666 . . . ?
Se1 Sm3 Se2 Sm1 32.66(4) 6_656 . . . ?
Se6 Sm3 Se2 Sm1 101.68(9) 5_666 . . . ?
Se6 Sm3 Se2 Sm1 48.70(10) 6_656 . . . ?
Se4 Sm3 Se2 Sm1 -177.98(6) . . . . ?
Se4 Sm3 Se2 Sm1 -31.64(6) 2_565 . . . ?
Sm2 Sm3 Se2 Sm1 75.19(4) 5_666 . . . ?
N3 Sm3 Se2 Sm2 162.6(5) 2_565 . . . ?
N3 Sm3 Se2 Sm2 -162.6(5) . . . . ?
Se8 Sm3 Se2 Sm2 -132.83(6) 2_565 . . . ?
Se8 Sm3 Se2 Sm2 132.84(6) . . . . ?
Se1 Sm3 Se2 Sm2 42.53(3) 5_666 . . . ?
Se1 Sm3 Se2 Sm2 -42.53(3) 6_656 . . . ?
Se6 Sm3 Se2 Sm2 26.49(9) 5_666 . . . ?
Se6 Sm3 Se2 Sm2 -26.49(9) 6_656 . . . ?
Se4 Sm3 Se2 Sm2 106.83(5) . . . . ?
Se4 Sm3 Se2 Sm2 -106.83(5) 2_565 . . . ?
Sm2 Sm3 Se2 Sm2 -0.001(1) 5_666 . . . ?
N2 Sm2 Se2 Sm1 -104.60(3) . . . 2_565 ?
Se6 Sm2 Se2 Sm1 104.71(10) . . . 2_565 ?
Se6 Sm2 Se2 Sm1 46.09(12) 2_565 . . 2_565 ?
Se1 Sm2 Se2 Sm1 118.07(5) . . . 2_565 ?
Se1 Sm2 Se2 Sm1 32.73(4) 2_565 . . 2_565 ?
Se3 Sm2 Se2 Sm1 -57.83(5) 2_565 . . 2_565 ?
Se3 Sm2 Se2 Sm1 -151.37(6) . . . 2_565 ?
Se7 Sm2 Se2 Sm1 -32.44(5) 2_565 . . 2_565 ?
Se7 Sm2 Se2 Sm1 -176.76(6) . . . 2_565 ?
Sm1 Sm2 Se2 Sm1 150.80(7) . . . 2_565 ?
N2 Sm2 Se2 Sm1 104.60(3) . . . . ?
Se6 Sm2 Se2 Sm1 -46.09(12) . . . . ?
Se6 Sm2 Se2 Sm1 -104.71(10) 2_565 . . . ?
Se1 Sm2 Se2 Sm1 -32.73(4) . . . . ?
Se1 Sm2 Se2 Sm1 -118.07(5) 2_565 . . . ?
Se3 Sm2 Se2 Sm1 151.37(6) 2_565 . . . ?
Se3 Sm2 Se2 Sm1 57.83(5) . . . . ?
Se7 Sm2 Se2 Sm1 176.76(6) 2_565 . . . ?
Se7 Sm2 Se2 Sm1 32.44(5) . . . . ?
Sm1 Sm2 Se2 Sm1 -150.80(7) 2_565 . . . ?
N2 Sm2 Se2 Sm3 180.0 . . . . ?
Se6 Sm2 Se2 Sm3 29.31(11) . . . . ?
Se6 Sm2 Se2 Sm3 -29.30(11) 2_565 . . . ?
Se1 Sm2 Se2 Sm3 42.67(3) . . . . ?
Se1 Sm2 Se2 Sm3 -42.67(3) 2_565 . . . ?
Se3 Sm2 Se2 Sm3 -133.23(5) 2_565 . . . ?
Se3 Sm2 Se2 Sm3 133.23(5) . . . . ?
Se7 Sm2 Se2 Sm3 -107.84(5) 2_565 . . . ?
Se7 Sm2 Se2 Sm3 107.84(5) . . . . ?
Sm1 Sm2 Se2 Sm3 -75.40(3) 2_565 . . . ?
Sm1 Sm2 Se2 Sm3 75.40(3) . . . . ?
N2 Sm2 Se3 C31 54.7(6) . . . . ?
Se6 Sm2 Se3 C31 -10.4(6) . . . . ?
Se6 Sm2 Se3 C31 9.0(6) 2_565 . . . ?
Se1 Sm2 Se3 C31 -71.4(6) . . . . ?
Se1 Sm2 Se3 C31 -147.9(6) 2_565 . . . ?
Se3 Sm2 Se3 C31 138.8(6) 2_565 . . . ?
Se2 Sm2 Se3 C31 -155.7(6) . . . . ?
Se7 Sm2 Se3 C31 133.3(6) 2_565 . . . ?
Se7 Sm2 Se3 C31 -31.3(6) . . . . ?
Sm1 Sm2 Se3 C31 -176.9(6) 2_565 . . . ?
Sm1 Sm2 Se3 C31 -102.1(6) . . . . ?
N2 Sm2 Se3 Sm1 156.8(2) . . . . ?
Se6 Sm2 Se3 Sm1 91.69(7) . . . . ?
Se6 Sm2 Se3 Sm1 111.11(11) 2_565 . . . ?
Se1 Sm2 Se3 Sm1 30.70(5) . . . . ?
Se1 Sm2 Se3 Sm1 -45.75(12) 2_565 . . . ?
Se3 Sm2 Se3 Sm1 -119.02(4) 2_565 . . . ?
Se2 Sm2 Se3 Sm1 -53.52(4) . . . . ?
Se7 Sm2 Se3 Sm1 -124.56(6) 2_565 . . . ?
Se7 Sm2 Se3 Sm1 70.88(11) . . . . ?
Sm1 Sm2 Se3 Sm1 -74.80(5) 2_565 . . . ?
N1 Sm1 Se3 C31 -44.5(6) . . . . ?
Se5 Sm1 Se3 C31 2.6(5) 6_656 . . . ?
Se4 Sm1 Se3 C31 -116.3(5) 2_565 . . . ?
Se2 Sm1 Se3 C31 169.9(5) . . . . ?
Se1 Sm1 Se3 C31 83.3(5) . . . . ?
Se7 Sm1 Se3 C31 35.3(5) . . . . ?
Se1 Sm1 Se3 C31 156.6(5) 6_656 . . . ?
Se8 Sm1 Se3 C31 -128.9(5) 2_565 . . . ?
Se5 Sm1 Se3 C31 28.1(5) . . . . ?
Sm2 Sm1 Se3 C31 114.2(5) . . . . ?
Sm3 Sm1 Se3 C31 -171.0(5) . . . . ?
N1 Sm1 Se3 Sm2 -158.6(2) . . . . ?
Se5 Sm1 Se3 Sm2 -111.52(11) 6_656 . . . ?
Se4 Sm1 Se3 Sm2 129.56(7) 2_565 . . . ?
Se2 Sm1 Se3 Sm2 55.71(5) . . . . ?
Se1 Sm1 Se3 Sm2 -30.86(5) . . . . ?
Se7 Sm1 Se3 Sm2 -78.85(11) . . . . ?
Se1 Sm1 Se3 Sm2 42.43(12) 6_656 . . . ?
Se8 Sm1 Se3 Sm2 116.95(6) 2_565 . . . ?
Se5 Sm1 Se3 Sm2 -86.09(7) . . . . ?
Sm3 Sm1 Se3 Sm2 74.86(5) . . . . ?
Sm2 Se3 C31 C32 -146.6(8) . . . . ?
Sm1 Se3 C31 C32 124.5(8) . . . . ?
Sm2 Se3 C31 C36 34.0(12) . . . . ?
Sm1 Se3 C31 C36 -54.8(11) . . . . ?
C36 C31 C32 C33 0.0 . . . . ?
Se3 C31 C32 C33 -179.4(13) . . . . ?
C31 C32 C33 C34 0.0 . . . . ?
C32 C33 C34 C35 0.0 . . . . ?
C33 C34 C35 C36 0.0 . . . . ?
C34 C35 C36 C31 0.0 . . . . ?
C32 C31 C36 C35 0.0 . . . . ?
Se3 C31 C36 C35 179.3(13) . . . . ?
N3 Sm3 Se4 C41 -57.7(7) 2_565 . . . ?
N3 Sm3 Se4 C41 -50.2(7) . . . . ?
Se8 Sm3 Se4 C41 19.7(6) 2_565 . . . ?
Se8 Sm3 Se4 C41 25.9(6) . . . . ?
Se2 Sm3 Se4 C41 81.3(6) . . . . ?
Se1 Sm3 Se4 C41 167.9(6) 5_666 . . . ?
Se1 Sm3 Se4 C41 149.4(6) 6_656 . . . ?
Se6 Sm3 Se4 C41 -131.1(6) 5_666 . . . ?
Se6 Sm3 Se4 C41 -125.3(6) 6_656 . . . ?
Se4 Sm3 Se4 C41 12.3(6) 2_565 . . . ?
Sm2 Sm3 Se4 C41 -174.9(6) 5_666 . . . ?
N3 Sm3 Se4 Sm1 -170.9(3) 2_565 . . 2_565 ?
N3 Sm3 Se4 Sm1 -163.4(3) . . . 2_565 ?
Se8 Sm3 Se4 Sm1 -93.57(8) 2_565 . . 2_565 ?
Se8 Sm3 Se4 Sm1 -87.30(14) . . . 2_565 ?
Se2 Sm3 Se4 Sm1 -31.90(5) . . . 2_565 ?
Se1 Sm3 Se4 Sm1 54.63(5) 5_666 . . 2_565 ?
Se1 Sm3 Se4 Sm1 36.22(13) 6_656 . . 2_565 ?
Se6 Sm3 Se4 Sm1 115.64(7) 5_666 . . 2_565 ?
Se6 Sm3 Se4 Sm1 121.47(7) 6_656 . . 2_565 ?
Se4 Sm3 Se4 Sm1 -100.92(15) 2_565 . . 2_565 ?
Sm2 Sm3 Se4 Sm1 71.91(6) 5_666 . . 2_565 ?
Sm1 Se4 C41 C42 -150.1(9) 2_565 . . . ?
Sm3 Se4 C41 C42 123.7(10) . . . . ?
Sm1 Se4 C41 C46 32.8(13) 2_565 . . . ?
Sm3 Se4 C41 C46 -53.4(12) . . . . ?
C46 C41 C42 C43 0.0 . . . . ?
Se4 C41 C42 C43 -177.2(15) . . . . ?
C41 C42 C43 C44 0.0 . . . . ?
C42 C43 C44 C45 0.0 . . . . ?
C43 C44 C45 C46 0.0 . . . . ?
C44 C45 C46 C41 0.0 . . . . ?
C42 C41 C46 C45 0.0 . . . . ?
Se4 C41 C46 C45 177.0(15) . . . . ?
N1 Sm1 Se5 C51 -15.8(7) . . . 6_656 ?
Se5 Sm1 Se5 C51 64.2(7) 6_656 . . 6_656 ?
Se4 Sm1 Se5 C51 61.2(7) 2_565 . . 6_656 ?
Se2 Sm1 Se5 C51 -171.5(7) . . . 6_656 ?
Se1 Sm1 Se5 C51 -150.0(7) . . . 6_656 ?
Se7 Sm1 Se5 C51 -87.5(7) . . . 6_656 ?
Se1 Sm1 Se5 C51 121.6(7) 6_656 . . 6_656 ?
Se3 Sm1 Se5 C51 -83.8(7) . . . 6_656 ?
Se8 Sm1 Se5 C51 55.7(7) 2_565 . . 6_656 ?
Sm2 Sm1 Se5 C51 -133.8(7) . . . 6_656 ?
Sm3 Sm1 Se5 C51 120.0(7) . . . 6_656 ?
N1 Sm1 Se5 Se5 -79.9(2) . . . 6_656 ?
Se4 Sm1 Se5 Se5 -2.98(16) 2_565 . . 6_656 ?
Se2 Sm1 Se5 Se5 124.31(13) . . . 6_656 ?
Se1 Sm1 Se5 Se5 145.77(15) . . . 6_656 ?
Se7 Sm1 Se5 Se5 -151.65(14) . . . 6_656 ?
Se1 Sm1 Se5 Se5 57.43(14) 6_656 . . 6_656 ?
Se3 Sm1 Se5 Se5 -147.96(14) . . . 6_656 ?
Se8 Sm1 Se5 Se5 -8.5(2) 2_565 . . 6_656 ?
Sm2 Sm1 Se5 Se5 162.05(12) . . . 6_656 ?
Sm3 Sm1 Se5 Se5 55.79(14) . . . 6_656 ?
N1 Sm1 Se5 C56 45.6(14) . . . 6_656 ?
Se5 Sm1 Se5 C56 125.5(14) 6_656 . . 6_656 ?
Se4 Sm1 Se5 C56 122.6(14) 2_565 . . 6_656 ?
Se2 Sm1 Se5 C56 -110.2(14) . . . 6_656 ?
Se1 Sm1 Se5 C56 -88.7(14) . . . 6_656 ?
Se7 Sm1 Se5 C56 -26.1(14) . . . 6_656 ?
Se1 Sm1 Se5 C56 -177.0(14) 6_656 . . 6_656 ?
Se3 Sm1 Se5 C56 -22.4(14) . . . 6_656 ?
Se8 Sm1 Se5 C56 117.0(14) 2_565 . . 6_656 ?
Sm2 Sm1 Se5 C56 -72.4(14) . . . 6_656 ?
Sm3 Sm1 Se5 C56 -178.7(14) . . . 6_656 ?
N1 Sm1 Se5 C51 -58.5(5) . . . . ?
Se5 Sm1 Se5 C51 21.4(5) 6_656 . . . ?
Se4 Sm1 Se5 C51 18.4(5) 2_565 . . . ?
Se2 Sm1 Se5 C51 145.7(5) . . . . ?
Se1 Sm1 Se5 C51 167.2(5) . . . . ?
Se7 Sm1 Se5 C51 -130.2(5) . . . . ?
Se1 Sm1 Se5 C51 78.9(5) 6_656 . . . ?
Se3 Sm1 Se5 C51 -126.5(5) . . . . ?
Se8 Sm1 Se5 C51 12.9(5) 2_565 . . . ?
Sm2 Sm1 Se5 C51 -176.5(5) . . . . ?
Sm3 Sm1 Se5 C51 77.2(5) . . . . ?
N1 Sm1 Se5 Sm1 -170.83(18) . . . 6_656 ?
Se5 Sm1 Se5 Sm1 -90.90(15) 6_656 . . 6_656 ?
Se4 Sm1 Se5 Sm1 -93.88(8) 2_565 . . 6_656 ?
Se2 Sm1 Se5 Sm1 33.41(13) . . . 6_656 ?
Se1 Sm1 Se5 Sm1 54.88(5) . . . 6_656 ?
Se7 Sm1 Se5 Sm1 117.45(7) . . . 6_656 ?
Se1 Sm1 Se5 Sm1 -33.47(5) 6_656 . . 6_656 ?
Se3 Sm1 Se5 Sm1 121.14(7) . . . 6_656 ?
Se8 Sm1 Se5 Sm1 -99.40(11) 2_565 . . 6_656 ?
Sm2 Sm1 Se5 Sm1 71.15(6) . . . 6_656 ?
Sm3 Sm1 Se5 Sm1 -35.11(9) . . . 6_656 ?
Se5 Se5 C51 C51 140(2) 6_656 . . 6_656 ?
C56 Se5 C51 C51 -10.5(10) 6_656 . . 6_656 ?
Sm1 Se5 C51 C51 -157.8(15) 6_656 . . 6_656 ?
Sm1 Se5 C51 C51 113.5(16) . . . 6_656 ?
C51 Se5 C51 C52 28.6(13) 6_656 . . . ?
Se5 Se5 C51 C52 168.7(14) 6_656 . . . ?
C56 Se5 C51 C52 18.0(14) 6_656 . . . ?
Sm1 Se5 C51 C52 -129.2(9) 6_656 . . . ?
Sm1 Se5 C51 C52 142.1(9) . . . . ?
C51 Se5 C51 C56 -157(2) 6_656 . . . ?
Se5 Se5 C51 C56 -16.6(8) 6_656 . . . ?
C56 Se5 C51 C56 -167(2) 6_656 . . . ?
Sm1 Se5 C51 C56 45.5(10) 6_656 . . . ?
Sm1 Se5 C51 C56 -43.2(9) . . . . ?
C51 Se5 C51 Se5 -140(2) 6_656 . . 6_656 ?
C56 Se5 C51 Se5 -150.7(18) 6_656 . . 6_656 ?
Sm1 Se5 C51 Se5 62.1(6) 6_656 . . 6_656 ?
Sm1 Se5 C51 Se5 -26.7(6) . . . 6_656 ?
C51 Se5 C51 C52 3.8(8) 6_656 . . 6_656 ?
Se5 Se5 C51 C52 143.9(18) 6_656 . . 6_656 ?
C56 Se5 C51 C52 -6.8(6) 6_656 . . 6_656 ?
Sm1 Se5 C51 C52 -154.0(12) 6_656 . . 6_656 ?
Sm1 Se5 C51 C52 117.3(13) . . . 6_656 ?
C51 C51 C52 C52 -38(2) 6_656 . . 6_656 ?
C56 C51 C52 C52 126(3) . . . 6_656 ?
Se5 C51 C52 C52 -18(5) 6_656 . . 6_656 ?
Se5 C51 C52 C52 -59(3) . . . 6_656 ?
C51 C51 C52 C53 -164(2) 6_656 . . . ?
C56 C51 C52 C53 0.0 . . . . ?
Se5 C51 C52 C53 -144(5) 6_656 . . . ?
C52 C51 C52 C53 -126(3) 6_656 . . . ?
Se5 C51 C52 C53 174.8(13) . . . . ?
C56 C51 C52 C51 164(2) . . . 6_656 ?
Se5 C51 C52 C51 20(4) 6_656 . . 6_656 ?
C52 C51 C52 C51 38(2) 6_656 . . 6_656 ?
Se5 C51 C52 C51 -21.3(10) . . . 6_656 ?
C51 C51 C52 C53 -22(2) 6_656 . . 6_656 ?
C56 C51 C52 C53 142(3) . . . 6_656 ?
Se5 C51 C52 C53 -2(6) 6_656 . . 6_656 ?
C52 C51 C52 C53 16.4(11) 6_656 . . 6_656 ?
Se5 C51 C52 C53 -43(3) . . . 6_656 ?
C52 C52 C53 C54 -114(3) 6_656 . . . ?
C51 C52 C53 C54 0.0 . . . . ?
C51 C52 C53 C54 -46(4) 6_656 . . . ?
C53 C52 C53 C54 -153(2) 6_656 . . . ?
C51 C52 C53 C52 114(3) . . . 6_656 ?
C51 C52 C53 C52 68(6) 6_656 . . 6_656 ?
C53 C52 C53 C52 -38.7(14) 6_656 . . 6_656 ?
C52 C53 C54 C55 0.0 . . . . ?
C52 C53 C54 C55 -24.8(15) 6_656 . . . ?
C53 C54 C55 C56 0.0 . . . . ?
C54 C55 C56 C51 0.0 . . . . ?
C54 C55 C56 Se5 56(6) . . . 6_656 ?
C51 C51 C56 C55 134(4) 6_656 . . . ?
C52 C51 C56 C55 0.0 . . . . ?
Se5 C51 C56 C55 171.7(14) 6_656 . . . ?
C52 C51 C56 C55 31.8(18) 6_656 . . . ?
Se5 C51 C56 C55 -174.7(13) . . . . ?
C51 C51 C56 Se5 -38(3) 6_656 . . 6_656 ?
C52 C51 C56 Se5 -171.7(14) . . . 6_656 ?
C52 C51 C56 Se5 -140(2) 6_656 . . 6_656 ?
Se5 C51 C56 Se5 13.6(6) . . . 6_656 ?
C20 N4 C16 C17 0.0 . . . . ?
N4 C16 C17 C18 0.0 . . . . ?
C16 C17 C18 C19 0.0 . . . . ?
C17 C18 C19 C20 0.0 . . . . ?
C18 C19 C20 N4 0.0 . . . . ?
C16 N4 C20 C19 0.0 . . . . ?
N2 Sm2 Se6 C61 12.0(9) . . . 2_565 ?
Se6 Sm2 Se6 C61 -73.1(9) 2_565 . . 2_565 ?
Se1 Sm2 Se6 C61 156.6(9) . . . 2_565 ?
Se1 Sm2 Se6 C61 -117.4(9) 2_565 . . 2_565 ?
Se3 Sm2 Se6 C61 -36.5(9) 2_565 . . 2_565 ?
Se3 Sm2 Se6 C61 83.5(9) . . . 2_565 ?
Se2 Sm2 Se6 C61 171.2(9) . . . 2_565 ?
Se7 Sm2 Se6 C61 -58.6(9) 2_565 . . 2_565 ?
Se7 Sm2 Se6 C61 94.0(9) . . . 2_565 ?
Sm1 Sm2 Se6 C61 -114.4(9) 2_565 . . 2_565 ?
Sm1 Sm2 Se6 C61 137.5(9) . . . 2_565 ?
N2 Sm2 Se6 Se6 85.11(9) . . . 2_565 ?
Se1 Sm2 Se6 Se6 -130.25(4) . . . 2_565 ?
Se1 Sm2 Se6 Se6 -44.30(3) 2_565 . . 2_565 ?
Se3 Sm2 Se6 Se6 36.67(10) 2_565 . . 2_565 ?
Se3 Sm2 Se6 Se6 156.60(7) . . . 2_565 ?
Se2 Sm2 Se6 Se6 -115.68(10) . . . 2_565 ?
Se7 Sm2 Se6 Se6 14.52(5) 2_565 . . 2_565 ?
Se7 Sm2 Se6 Se6 167.18(5) . . . 2_565 ?
Sm1 Sm2 Se6 Se6 -41.29(4) 2_565 . . 2_565 ?
Sm1 Sm2 Se6 Se6 -149.34(4) . . . 2_565 ?
N2 Sm2 Se6 C66 -59.3(17) . . . 2_565 ?
Se6 Sm2 Se6 C66 -144.4(17) 2_565 . . 2_565 ?
Se1 Sm2 Se6 C66 85.3(17) . . . 2_565 ?
Se1 Sm2 Se6 C66 171.3(17) 2_565 . . 2_565 ?
Se3 Sm2 Se6 C66 -107.8(17) 2_565 . . 2_565 ?
Se3 Sm2 Se6 C66 12.2(17) . . . 2_565 ?
Se2 Sm2 Se6 C66 99.9(17) . . . 2_565 ?
Se7 Sm2 Se6 C66 -129.9(17) 2_565 . . 2_565 ?
Se7 Sm2 Se6 C66 22.8(17) . . . 2_565 ?
Sm1 Sm2 Se6 C66 174.3(17) 2_565 . . 2_565 ?
Sm1 Sm2 Se6 C66 66.2(17) . . . 2_565 ?
N2 Sm2 Se6 C61 51.4(5) . . . . ?
Se6 Sm2 Se6 C61 -33.7(5) 2_565 . . . ?
Se1 Sm2 Se6 C61 -163.9(5) . . . . ?
Se1 Sm2 Se6 C61 -78.0(5) 2_565 . . . ?
Se3 Sm2 Se6 C61 3.0(6) 2_565 . . . ?
Se3 Sm2 Se6 C61 122.9(5) . . . . ?
Se2 Sm2 Se6 C61 -149.4(5) . . . . ?
Se7 Sm2 Se6 C61 -19.2(5) 2_565 . . . ?
Se7 Sm2 Se6 C61 133.5(5) . . . . ?
Sm1 Sm2 Se6 C61 -75.0(5) 2_565 . . . ?
Sm1 Sm2 Se6 C61 177.0(5) . . . . ?
N2 Sm2 Se6 Sm3 161.93(11) . . . 5_666 ?
Se6 Sm2 Se6 Sm3 76.82(5) 2_565 . . 5_666 ?
Se1 Sm2 Se6 Sm3 -53.42(5) . . . 5_666 ?
Se1 Sm2 Se6 Sm3 32.52(5) 2_565 . . 5_666 ?
Se3 Sm2 Se6 Sm3 113.49(10) 2_565 . . 5_666 ?
Se3 Sm2 Se6 Sm3 -126.58(7) . . . 5_666 ?
Se2 Sm2 Se6 Sm3 -38.85(13) . . . 5_666 ?
Se7 Sm2 Se6 Sm3 91.34(7) 2_565 . . 5_666 ?
Se7 Sm2 Se6 Sm3 -116.00(6) . . . 5_666 ?
Sm1 Sm2 Se6 Sm3 35.54(9) 2_565 . . 5_666 ?
Sm1 Sm2 Se6 Sm3 -72.52(6) . . . 5_666 ?
Se6 Se6 C61 C61 179.985(7) 2_565 . . 2_565 ?
C66 Se6 C61 C61 2.1(13) 2_565 . . 2_565 ?
Sm2 Se6 C61 C61 -130.5(7) . . . 2_565 ?
Sm3 Se6 C61 C61 139.2(8) 5_666 . . 2_565 ?
C61 Se6 C61 Se6 -179.985(2) 2_565 . . 2_565 ?
C66 Se6 C61 Se6 -177.8(13) 2_565 . . 2_565 ?
Sm2 Se6 C61 Se6 49.5(7) . . . 2_565 ?
Sm3 Se6 C61 Se6 -40.8(7) 5_666 . . 2_565 ?
C61 Se6 C61 C62 9.5(14) 2_565 . . . ?
Se6 Se6 C61 C62 -170.5(14) 2_565 . . . ?
C66 Se6 C61 C62 12(2) 2_565 . . . ?
Sm2 Se6 C61 C62 -121.0(9) . . . . ?
Sm3 Se6 C61 C62 148.7(8) 5_666 . . . ?
C61 Se6 C61 C66 -177.1(8) 2_565 . . . ?
Se6 Se6 C61 C66 2.9(8) 2_565 . . . ?
C66 Se6 C61 C66 -175.0(8) 2_565 . . . ?
Sm2 Se6 C61 C66 52.4(11) . . . . ?
Sm3 Se6 C61 C66 -37.9(11) 5_666 . . . ?
C61 Se6 C61 C62 7.2(10) 2_565 . . 2_565 ?
Se6 Se6 C61 C62 -172.8(10) 2_565 . . 2_565 ?
C66 Se6 C61 C62 9.3(17) 2_565 . . 2_565 ?
Sm2 Se6 C61 C62 -123.3(7) . . . 2_565 ?
Sm3 Se6 C61 C62 146.4(7) 5_666 . . 2_565 ?
C61 C61 C62 C62 0.0(7) 2_565 . . 2_565 ?
Se6 C61 C62 C62 -37(5) 2_565 . . 2_565 ?
C66 C61 C62 C62 179.6 . . . 2_565 ?
Se6 C61 C62 C62 -6.9(14) . . . 2_565 ?
C61 C61 C62 C63 -179.6(7) 2_565 . . . ?
Se6 C61 C62 C63 143(5) 2_565 . . . ?
C66 C61 C62 C63 0.0 . . . . ?
C62 C61 C62 C63 -179.6 2_565 . . . ?
Se6 C61 C62 C63 173.4(14) . . . . ?
Se6 C61 C62 C61 -37(5) 2_565 . . 2_565 ?
C66 C61 C62 C61 179.6(7) . . . 2_565 ?
C62 C61 C62 C61 0.0(7) 2_565 . . 2_565 ?
Se6 C61 C62 C61 -6.9(10) . . . 2_565 ?
C61 C61 C62 C63 -0.4(7) 2_565 . . 2_565 ?
Se6 C61 C62 C63 -37(5) 2_565 . . 2_565 ?
C66 C61 C62 C63 179.2 . . . 2_565 ?
C62 C61 C62 C63 -0.4 2_565 . . 2_565 ?
Se6 C61 C62 C63 -7.3(14) . . . 2_565 ?
C62 C62 C63 C64 -179.5 2_565 . . . ?
C61 C62 C63 C64 0.0 . . . . ?
C61 C62 C63 C64 -2(3) 2_565 . . . ?
C63 C62 C63 C64 -179.5 2_565 . . . ?
C61 C62 C63 C62 179.5 . . . 2_565 ?
C61 C62 C63 C62 178(3) 2_565 . . 2_565 ?
C63 C62 C63 C62 0.0 2_565 . . 2_565 ?
C62 C63 C64 C65 0.0 . . . . ?
C62 C63 C64 C65 -0.2 2_565 . . . ?
C63 C64 C65 C66 0.0 . . . . ?
C64 C65 C66 C61 0.0 . . . . ?
C64 C65 C66 Se6 -48(6) . . . 2_565 ?
C61 C61 C66 C65 179(3) 2_565 . . . ?
Se6 C61 C66 C65 -171.0(14) 2_565 . . . ?
C62 C61 C66 C65 0.0 . . . . ?
C62 C61 C66 C65 0.2 2_565 . . . ?
Se6 C61 C66 C65 -173.3(14) . . . . ?
C61 C61 C66 Se6 -10(3) 2_565 . . 2_565 ?
C62 C61 C66 Se6 171.0(14) . . . 2_565 ?
C62 C61 C66 Se6 171.2(14) 2_565 . . 2_565 ?
Se6 C61 C66 Se6 -2.3(6) . . . 2_565 ?
N1 Sm1 Se7 C71 52.2(5) . . . . ?
Se5 Sm1 Se7 C71 120.3(5) 6_656 . . . ?
Se4 Sm1 Se7 C71 4.4(5) 2_565 . . . ?
Se2 Sm1 Se7 C71 -78.4(5) . . . . ?
Se1 Sm1 Se7 C71 -164.4(5) . . . . ?
Se1 Sm1 Se7 C71 -150.7(5) 6_656 . . . ?
Se3 Sm1 Se7 C71 -38.7(5) . . . . ?
Se8 Sm1 Se7 C71 -20.7(5) 2_565 . . . ?
Se5 Sm1 Se7 C71 135.1(5) . . . . ?
Sm2 Sm1 Se7 C71 -111.1(5) . . . . ?
Sm3 Sm1 Se7 C71 -74.4(5) . . . . ?
N1 Sm1 Se7 Sm2 163.3(2) . . . . ?
Se5 Sm1 Se7 Sm2 -128.58(7) 6_656 . . . ?
Se4 Sm1 Se7 Sm2 115.45(11) 2_565 . . . ?
Se2 Sm1 Se7 Sm2 32.67(5) . . . . ?
Se1 Sm1 Se7 Sm2 -53.34(4) . . . . ?
Se1 Sm1 Se7 Sm2 -39.59(14) 6_656 . . . ?
Se3 Sm1 Se7 Sm2 72.39(11) . . . . ?
Se8 Sm1 Se7 Sm2 90.44(7) 2_565 . . . ?
Se5 Sm1 Se7 Sm2 -113.82(6) . . . . ?
Sm3 Sm1 Se7 Sm2 36.75(9) . . . . ?
N2 Sm2 Se7 C71 -67.7(7) . . . . ?
Se6 Sm2 Se7 C71 -139.6(6) . . . . ?
Se6 Sm2 Se7 C71 -132.5(6) 2_565 . . . ?
Se1 Sm2 Se7 C71 156.8(6) . . . . ?
Se1 Sm2 Se7 C71 139.1(6) 2_565 . . . ?
Se3 Sm2 Se7 C71 11.6(6) 2_565 . . . ?
Se3 Sm2 Se7 C71 22.3(6) . . . . ?
Se2 Sm2 Se7 C71 70.8(6) . . . . ?
Se7 Sm2 Se7 C71 -1.5(6) 2_565 . . . ?
Sm1 Sm2 Se7 C71 67.7(6) 2_565 . . . ?
Sm1 Sm2 Se7 C71 103.0(6) . . . . ?
N2 Sm2 Se7 Sm1 -170.7(3) . . . . ?
Se6 Sm2 Se7 Sm1 117.46(7) . . . . ?
Se6 Sm2 Se7 Sm1 124.50(7) 2_565 . . . ?
Se1 Sm2 Se7 Sm1 53.83(5) . . . . ?
Se1 Sm2 Se7 Sm1 36.10(13) 2_565 . . . ?
Se3 Sm2 Se7 Sm1 -91.38(7) 2_565 . . . ?
Se3 Sm2 Se7 Sm1 -80.72(11) . . . . ?
Se2 Sm2 Se7 Sm1 -32.16(5) . . . . ?
Se7 Sm2 Se7 Sm1 -104.44(13) 2_565 . . . ?
Sm1 Sm2 Se7 Sm1 -35.26(8) 2_565 . . . ?
Sm1 Se7 C71 C72 -122.0(8) . . . . ?
Sm2 Se7 C71 C72 148.7(8) . . . . ?
Sm1 Se7 C71 C76 54.7(12) . . . . ?
Sm2 Se7 C71 C76 -34.6(12) . . . . ?
C76 C71 C72 C73 0.0 . . . . ?
Se7 C71 C72 C73 176.8(13) . . . . ?
C71 C72 C73 C74 0.0 . . . . ?
C72 C73 C74 C75 0.0 . . . . ?
C73 C74 C75 C76 0.0 . . . . ?
C74 C75 C76 C71 0.0 . . . . ?
C72 C71 C76 C75 0.0 . . . . ?
Se7 C71 C76 C75 -176.6(14) . . . . ?
N3 Sm3 Se8 C81 43.1(7) 2_565 . . . ?
N3 Sm3 Se8 C81 62.3(7) . . . . ?
Se8 Sm3 Se8 C81 132.1(6) 2_565 . . . ?
Se2 Sm3 Se8 C81 -160.2(6) . . . . ?
Se1 Sm3 Se8 C81 -75.9(6) 5_666 . . . ?
Se1 Sm3 Se8 C81 -150.5(6) 6_656 . . . ?
Se6 Sm3 Se8 C81 -16.2(6) 5_666 . . . ?
Se6 Sm3 Se8 C81 1.6(6) 6_656 . . . ?
Se4 Sm3 Se8 C81 -42.2(6) . . . . ?
Se4 Sm3 Se8 C81 129.0(6) 2_565 . . . ?
Sm2 Sm3 Se8 C81 -70.7(6) 5_666 . . . ?
N3 Sm3 Se8 Sm1 151.9(3) 2_565 . . 2_565 ?
N3 Sm3 Se8 Sm1 171.0(3) . . . 2_565 ?
Se8 Sm3 Se8 Sm1 -119.17(5) 2_565 . . 2_565 ?
Se2 Sm3 Se8 Sm1 -51.40(4) . . . 2_565 ?
Se1 Sm3 Se8 Sm1 32.91(5) 5_666 . . 2_565 ?
Se1 Sm3 Se8 Sm1 -41.76(14) 6_656 . . 2_565 ?
Se6 Sm3 Se8 Sm1 92.57(8) 5_666 . . 2_565 ?
Se6 Sm3 Se8 Sm1 110.36(11) 6_656 . . 2_565 ?
Se4 Sm3 Se8 Sm1 66.54(12) . . . 2_565 ?
Se4 Sm3 Se8 Sm1 -122.26(7) 2_565 . . 2_565 ?
Sm2 Sm3 Se8 Sm1 38.05(9) 5_666 . . 2_565 ?
Sm3 Se8 C81 C82 -124.0(10) . . . . ?
Sm1 Se8 C81 C82 148.0(9) 2_565 . . . ?
Sm3 Se8 C81 C86 56.4(13) . . . . ?
Sm1 Se8 C81 C86 -31.6(14) 2_565 . . . ?
C86 C81 C82 C83 0.0 . . . . ?
Se8 C81 C82 C83 -179.6(15) . . . . ?
C81 C82 C83 C84 0.0 . . . . ?
C82 C83 C84 C85 0.0 . . . . ?
C83 C84 C85 C86 0.0 . . . . ?
C84 C85 C86 C81 0.0 . . . . ?
C82 C81 C86 C85 0.0 . . . . ?
Se8 C81 C86 C85 179.5(16) . . . . ?
C25 N5 C21 C22 0.0 . . . . ?
N5 C21 C22 C23 0.0 . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C23 C24 C25 N5 0.0 . . . . ?
C21 N5 C25 C24 0.0 . . . . ?
