#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:49:25 +0100 (vie 25 de mar de 2016) $
#$Revision: 179865 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/61/7016187.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_7016187
loop_
_publ_author_name
'Pan, Cheng-Ling'
'Chen, Wan'
'Su, Shengqun'
'Pan, Yu-Song'
'Wang, Jing'
_publ_section_title
;
 Cubic and doubly-fused cubic samarium clusters from Sm(ii)-mediated
 reduction of organic azides and azobenzenes.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7941
_journal_page_last               7945
_journal_paper_doi               10.1039/c1dt10395d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C132 H166 I2 N14 O4 Si2 Sm6'
_chemical_formula_sum            'C66 H83 I N7 O2 Si Sm3'
_chemical_formula_weight         1612.43
_chemical_melting_point          ?
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.655(2)
_cell_angle_beta                 94.921(2)
_cell_angle_gamma                108.0890(10)
_cell_formula_units_Z            2
_cell_length_a                   12.7941(10)
_cell_length_b                   15.0550(12)
_cell_length_c                   20.126(2)
_cell_measurement_temperature    173(2)
_cell_volume                     3391.0(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT software (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'ω scan'
_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  0.0361
_diffrn_reflns_av_sigmaI/netI    0.0934
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18536
_diffrn_reflns_theta_full        26.09
_diffrn_reflns_theta_max         26.09
_diffrn_reflns_theta_min         1.10
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    3.082
_exptl_absorpt_correction_T_max  0.4583
_exptl_absorpt_correction_T_min  0.3079
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1594
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         3.209
_refine_diff_density_min         -1.943
_refine_diff_density_rms         0.308
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     721
_refine_ls_number_reflns         13244
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0991
_refine_ls_R_factor_gt           0.0508
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0886P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1341
_refine_ls_wR_factor_ref         0.1654
_reflns_number_gt                8402
_reflns_number_total             13244
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10395d.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_symmetry_cell_setting' value
'Triclinic' changed to 'triclinic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_refine_ls_hydrogen_treatment' value 'Constr' changed
to 'constr' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'None' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7016187
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sm1 Sm 0.41570(4) 0.92085(4) 0.11879(3) 0.02147(13) Uani 1 1 d . . .
Sm2 Sm 0.65127(4) 1.14160(4) 0.15705(3) 0.02236(14) Uani 1 1 d . . .
Sm3 Sm 0.39332(4) 1.06526(4) 0.01495(3) 0.02129(13) Uani 1 1 d . . .
I1 I 0.17615(5) 0.94685(6) 0.06774(4) 0.03570(19) Uani 1 1 d . . .
Si1 Si 0.5773(2) 1.0707(2) 0.31864(14) 0.0258(6) Uani 1 1 d . . .
N1 N 0.3795(7) 0.8049(6) 0.1822(4) 0.0280(19) Uani 1 1 d . . .
N2 N 0.4714(6) 0.9727(6) 0.2473(4) 0.0263(19) Uani 1 1 d . . .
N3 N 0.6635(7) 1.1393(6) 0.2771(4) 0.0272(19) Uani 1 1 d . . .
N4 N 0.7803(7) 1.2785(6) 0.2657(4) 0.0255(18) Uani 1 1 d . . .
N5 N 0.6006(6) 1.1004(6) 0.0171(4) 0.0237(18) Uani 1 1 d . . .
N6 N 0.4627(6) 1.0896(6) 0.1362(4) 0.0251(18) Uani 1 1 d . . .
N7 N 0.3973(6) 1.0365(6) -0.1083(4) 0.0227(18) Uani 1 1 d . . .
O1 O 0.3053(6) 1.1916(6) 0.0184(4) 0.041(2) Uani 1 1 d . . .
O2 O 1.1633(9) 1.1635(9) 0.5380(6) 0.081(3) Uani 1 1 d . . .
C1 C 0.3106(9) 0.7040(7) 0.1720(5) 0.032(2) Uani 1 1 d . . .
C2 C 0.3657(10) 0.6333(8) 0.1604(6) 0.039(3) Uani 1 1 d . . .
C3 C 0.3025(13) 0.5352(9) 0.1498(7) 0.061(4) Uani 1 1 d . . .
H3A H 0.3373 0.4863 0.1418 0.073 Uiso 1 1 calc R . .
C4 C 0.1878(12) 0.5065(9) 0.1506(7) 0.057(4) Uani 1 1 d . . .
H4A H 0.1469 0.4403 0.1477 0.068 Uiso 1 1 calc R . .
C5 C 0.1357(11) 0.5719(9) 0.1553(7) 0.054(4) Uani 1 1 d . . .
H5A H 0.0567 0.5496 0.1521 0.065 Uiso 1 1 calc R . .
C6 C 0.1936(9) 0.6722(9) 0.1647(6) 0.039(3) Uani 1 1 d . . .
C7 C 0.4913(9) 0.6640(9) 0.1592(7) 0.048(3) Uani 1 1 d . . .
H7C H 0.5109 0.7209 0.1419 0.058 Uiso 1 1 calc R . .
C8 C 0.5282(12) 0.5850(9) 0.1123(7) 0.050(3) Uani 1 1 d . . .
H8A H 0.4853 0.5585 0.0627 0.074 Uiso 1 1 calc R . .
H8B H 0.5151 0.5300 0.1299 0.074 Uiso 1 1 calc R . .
H8C H 0.6086 0.6145 0.1135 0.074 Uiso 1 1 calc R . .
C9 C 0.5607(12) 0.7050(10) 0.2363(7) 0.063(4) Uani 1 1 d . . .
H9A H 0.6410 0.7255 0.2355 0.094 Uiso 1 1 calc R . .
H9B H 0.5405 0.6522 0.2561 0.094 Uiso 1 1 calc R . .
H9C H 0.5450 0.7636 0.2667 0.094 Uiso 1 1 calc R . .
C10 C 0.1274(9) 0.7408(9) 0.1651(6) 0.042(3) Uani 1 1 d . . .
H10A H 0.1823 0.8101 0.1753 0.050 Uiso 1 1 calc R . .
C11 C 0.0560(11) 0.7487(11) 0.2235(8) 0.062(4) Uani 1 1 d . . .
H11A H 0.1052 0.7750 0.2711 0.093 Uiso 1 1 calc R . .
H11B H 0.0010 0.6815 0.2141 0.093 Uiso 1 1 calc R . .
H11C H 0.0165 0.7946 0.2221 0.093 Uiso 1 1 calc R . .
C12 C 0.0549(11) 0.7024(12) 0.0912(8) 0.076(5) Uani 1 1 d . . .
H12A H 0.1022 0.6989 0.0553 0.113 Uiso 1 1 calc R . .
H12B H 0.0156 0.7484 0.0898 0.113 Uiso 1 1 calc R . .
H12C H -0.0003 0.6348 0.0803 0.113 Uiso 1 1 calc R . .
C13 C 0.8782(9) 1.3705(7) 0.2850(5) 0.031(2) Uani 1 1 d . . .
C14 C 0.9858(9) 1.3696(9) 0.2843(6) 0.039(3) Uani 1 1 d . . .
C15 C 1.0705(10) 1.4622(10) 0.2987(7) 0.054(4) Uani 1 1 d . . .
H15A H 1.1456 1.4647 0.2991 0.065 Uiso 1 1 calc R . .
C16 C 1.0498(13) 1.5494(9) 0.3122(7) 0.059(4) Uani 1 1 d . . .
H16A H 1.1106 1.6114 0.3237 0.071 Uiso 1 1 calc R . .
C17 C 0.9448(12) 1.5485(9) 0.3096(6) 0.047(3) Uani 1 1 d . . .
H17A H 0.9312 1.6093 0.3166 0.056 Uiso 1 1 calc R . .
C18 C 0.8558(10) 1.4605(8) 0.2969(5) 0.037(3) Uani 1 1 d . . .
C19 C 1.0146(9) 1.2742(9) 0.2655(6) 0.040(3) Uani 1 1 d . . .
H19A H 0.9445 1.2148 0.2561 0.048 Uiso 1 1 calc R . .
C20 C 1.0639(10) 1.2575(10) 0.1984(7) 0.053(3) Uani 1 1 d . . .
H20A H 1.0090 1.2498 0.1578 0.080 Uiso 1 1 calc R . .
H20B H 1.0822 1.1961 0.1867 0.080 Uiso 1 1 calc R . .
H20C H 1.1325 1.3157 0.2071 0.080 Uiso 1 1 calc R . .
C21 C 1.0985(10) 1.2845(12) 0.3281(8) 0.063(4) Uani 1 1 d . . .
H21A H 1.0661 1.2950 0.3713 0.095 Uiso 1 1 calc R . .
H21B H 1.1676 1.3424 0.3375 0.095 Uiso 1 1 calc R . .
H21C H 1.1159 1.2227 0.3162 0.095 Uiso 1 1 calc R . .
C22 C 0.7382(11) 1.4607(10) 0.2922(8) 0.054(3) Uani 1 1 d . . .
H22A H 0.6897 1.3977 0.2505 0.065 Uiso 1 1 calc R . .
C23 C 0.6939(14) 1.4531(14) 0.3600(9) 0.087(5) Uani 1 1 d . . .
H23A H 0.7025 1.3948 0.3679 0.131 Uiso 1 1 calc R . .
H23B H 0.6141 1.4449 0.3530 0.131 Uiso 1 1 calc R . .
H23C H 0.7368 1.5150 0.4022 0.131 Uiso 1 1 calc R . .
C24 C 0.7237(14) 1.5484(12) 0.2763(12) 0.106(7) Uani 1 1 d . . .
H24A H 0.7522 1.5507 0.2330 0.159 Uiso 1 1 calc R . .
H24B H 0.7658 1.6119 0.3174 0.159 Uiso 1 1 calc R . .
H24C H 0.6437 1.5391 0.2682 0.159 Uiso 1 1 calc R . .
C25 C 0.4050(8) 0.8831(8) 0.2463(5) 0.031(2) Uani 1 1 d . . .
C26 C 0.3590(10) 0.8724(9) 0.3091(6) 0.051(4) Uani 1 1 d . . .
C27 C 0.3575(11) 0.7996(10) 0.3354(7) 0.064(4) Uani 1 1 d . . .
H27A H 0.3894 0.7504 0.3143 0.076 Uiso 1 1 calc R . .
C28 C 0.3071(17) 0.7999(18) 0.3948(10) 0.122(10) Uani 1 1 d . . .
H28A H 0.3077 0.7502 0.4138 0.146 Uiso 1 1 calc R . .
C29 C 0.2607(19) 0.862(2) 0.4250(9) 0.133(13) Uani 1 1 d . . .
H29A H 0.2273 0.8564 0.4645 0.160 Uiso 1 1 calc R . .
C30 C 0.2582(14) 0.9375(14) 0.4012(8) 0.102(8) Uani 1 1 d . . .
H30A H 0.2232 0.9839 0.4232 0.123 Uiso 1 1 calc R . .
C31 C 0.3100(11) 0.9426(11) 0.3429(7) 0.067(5) Uani 1 1 d . . .
H31A H 0.3119 0.9947 0.3260 0.081 Uiso 1 1 calc R . .
C32 C 0.5337(10) 1.1635(9) 0.3878(6) 0.046(3) Uani 1 1 d . . .
H32A H 0.4996 1.1985 0.3645 0.068 Uiso 1 1 calc R . .
H32B H 0.5998 1.2130 0.4252 0.068 Uiso 1 1 calc R . .
H32C H 0.4788 1.1275 0.4098 0.068 Uiso 1 1 calc R . .
C33 C 0.6396(9) 1.0074(9) 0.3684(6) 0.039(3) Uani 1 1 d . . .
H33A H 0.6646 0.9581 0.3347 0.059 Uiso 1 1 calc R . .
H33B H 0.5828 0.9728 0.3900 0.059 Uiso 1 1 calc R . .
H33C H 0.7041 1.0585 0.4066 0.059 Uiso 1 1 calc R . .
C34 C 0.7558(8) 1.2226(7) 0.3053(6) 0.029(2) Uani 1 1 d . . .
C35 C 0.8337(8) 1.2454(8) 0.3740(6) 0.032(2) Uani 1 1 d . . .
C36 C 0.8686(9) 1.3400(8) 0.4321(6) 0.037(3) Uani 1 1 d . . .
H36A H 0.8431 1.3915 0.4286 0.044 Uiso 1 1 calc R . .
C37 C 0.9394(10) 1.3570(9) 0.4937(6) 0.049(3) Uani 1 1 d . . .
H37A H 0.9614 1.4203 0.5330 0.059 Uiso 1 1 calc R . .
C38 C 0.9805(10) 1.2834(9) 0.5001(6) 0.043(3) Uani 1 1 d . . .
H38A H 1.0301 1.2965 0.5431 0.052 Uiso 1 1 calc R . .
C39 C 0.9474(9) 1.1919(9) 0.4429(6) 0.044(3) Uani 1 1 d . . .
H39A H 0.9748 1.1414 0.4462 0.053 Uiso 1 1 calc R . .
C40 C 0.8749(9) 1.1727(8) 0.3808(6) 0.035(3) Uani 1 1 d . . .
H40A H 0.8526 1.1089 0.3420 0.042 Uiso 1 1 calc R . .
C41 C 0.6631(8) 1.2029(7) 0.0343(5) 0.025(2) Uani 1 1 d . . .
C42 C 0.6211(9) 1.2645(8) 0.0106(6) 0.032(2) Uani 1 1 d . . .
H42A H 0.5491 1.2358 -0.0207 0.039 Uiso 1 1 calc R . .
C43 C 0.6828(11) 1.3675(8) 0.0318(6) 0.046(3) Uani 1 1 d . . .
H43A H 0.6520 1.4058 0.0126 0.056 Uiso 1 1 calc R . .
C44 C 0.7845(11) 1.4158(10) 0.0786(7) 0.063(4) Uani 1 1 d . . .
H44A H 0.8222 1.4870 0.0951 0.075 Uiso 1 1 calc R . .
C45 C 0.8314(10) 1.3539(10) 0.1012(7) 0.051(3) Uani 1 1 d . . .
H45A H 0.9044 1.3838 0.1314 0.061 Uiso 1 1 calc R . .
C46 C 0.7732(8) 1.2509(8) 0.0804(5) 0.030(2) Uani 1 1 d . . .
H46A H 0.8220 1.2146 0.0570 0.036 Uiso 1 1 calc R . .
C47 C 0.4396(8) 1.1752(7) 0.1760(5) 0.026(2) Uani 1 1 d . . .
C48 C 0.3765(9) 1.1748(9) 0.2299(6) 0.041(3) Uani 1 1 d . . .
H48A H 0.3478 1.1153 0.2396 0.050 Uiso 1 1 calc R . .
C49 C 0.3557(12) 1.2611(11) 0.2691(7) 0.065(4) Uani 1 1 d . . .
H49A H 0.3167 1.2623 0.3073 0.079 Uiso 1 1 calc R . .
C50 C 0.3938(13) 1.3470(11) 0.2509(8) 0.067(4) Uani 1 1 d . . .
H50A H 0.3768 1.4050 0.2756 0.080 Uiso 1 1 calc R . .
C51 C 0.4536(12) 1.3480(10) 0.1993(8) 0.059(4) Uani 1 1 d . . .
H51A H 0.4786 1.4065 0.1880 0.071 Uiso 1 1 calc R . .
C52 C 0.4790(9) 1.2640(8) 0.1627(6) 0.040(3) Uani 1 1 d . . .
H52A H 0.5240 1.2667 0.1278 0.048 Uiso 1 1 calc R . .
C53 C 0.7052(8) 0.9647(7) 0.1387(5) 0.024(2) Uani 1 1 d . . .
C54 C 0.8063(8) 1.0126(8) 0.1237(6) 0.031(2) Uani 1 1 d . . .
H54A H 0.8063 1.0508 0.0945 0.037 Uiso 1 1 calc R . .
C55 C 0.9071(9) 1.0072(9) 0.1492(7) 0.045(3) Uani 1 1 d . . .
H55A H 0.9739 1.0375 0.1352 0.055 Uiso 1 1 calc R . .
C56 C 0.9096(10) 0.9565(9) 0.1962(7) 0.050(3) Uani 1 1 d . . .
H56A H 0.9785 0.9537 0.2152 0.060 Uiso 1 1 calc R . .
C57 C 0.8139(11) 0.9122(9) 0.2138(6) 0.049(3) Uani 1 1 d . . .
H57A H 0.8157 0.8779 0.2456 0.058 Uiso 1 1 calc R . .
C58 C 0.7125(9) 0.9153(8) 0.1867(6) 0.032(2) Uani 1 1 d . . .
H58A H 0.6463 0.8836 0.2006 0.038 Uiso 1 1 calc R . .
C59 C 0.2091(16) 1.1976(17) 0.0512(10) 0.106(8) Uani 1 1 d . . .
H59A H 0.1546 1.1288 0.0404 0.127 Uiso 1 1 calc R . .
H59B H 0.2341 1.2332 0.1042 0.127 Uiso 1 1 calc R . .
C60 C 0.1589(11) 1.2505(11) 0.0225(10) 0.077(5) Uani 1 1 d . . .
H60A H 0.1500 1.3062 0.0623 0.093 Uiso 1 1 calc R . .
H60B H 0.0833 1.2046 -0.0072 0.093 Uiso 1 1 calc R . .
C61 C 0.2304(10) 1.2934(10) -0.0234(7) 0.050(3) Uani 1 1 d . . .
H61A H 0.2476 1.3671 -0.0080 0.060 Uiso 1 1 calc R . .
H61B H 0.1928 1.2593 -0.0751 0.060 Uiso 1 1 calc R . .
C62 C 0.3378(9) 1.2707(9) -0.0091(6) 0.040(3) Uani 1 1 d . . .
H62A H 0.3648 1.2479 -0.0542 0.048 Uiso 1 1 calc R . .
H62B H 0.3983 1.3316 0.0268 0.048 Uiso 1 1 calc R . .
C63 C 1.2726(15) 1.1991(16) 0.5303(11) 0.095(6) Uani 1 1 d . . .
H63A H 1.3079 1.1484 0.5275 0.114 Uiso 1 1 calc R . .
H63B H 1.3170 1.2622 0.5722 0.114 Uiso 1 1 calc R . .
C64 C 1.2699(19) 1.2198(19) 0.4596(14) 0.142(9) Uani 1 1 d . . .
H64A H 1.3470 1.2473 0.4536 0.213 Uiso 1 1 calc R . .
H64B H 1.2330 1.2686 0.4624 0.213 Uiso 1 1 calc R . .
H64C H 1.2281 1.1564 0.4183 0.213 Uiso 1 1 calc R . .
C65 C 1.1561(15) 1.1321(13) 0.5971(9) 0.082(5) Uani 1 1 d . . .
H65A H 1.2027 1.1890 0.6422 0.099 Uiso 1 1 calc R . .
H65B H 1.1845 1.0760 0.5892 0.099 Uiso 1 1 calc R . .
C66 C 1.0366(16) 1.0981(15) 0.6033(9) 0.097(6) Uani 1 1 d . . .
H66A H 1.0304 1.0756 0.6437 0.145 Uiso 1 1 calc R . .
H66B H 0.9911 1.0418 0.5585 0.145 Uiso 1 1 calc R . .
H66C H 1.0095 1.1542 0.6119 0.145 Uiso 1 1 calc R . .
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'
Si Si 0.0817 0.0704 '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'
I I -0.4742 1.8119 '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
N6 Sm1 N7 78.9(3) . 2_675 ?
N6 Sm1 N2 88.4(3) . . ?
N7 Sm1 N2 90.9(3) 2_675 . ?
N6 Sm1 N1 142.8(3) . . ?
N7 Sm1 N1 108.2(3) 2_675 . ?
N2 Sm1 N1 55.7(3) . . ?
N6 Sm1 N5 82.0(3) . 2_675 ?
N7 Sm1 N5 77.9(2) 2_675 2_675 ?
N2 Sm1 N5 166.4(2) . 2_675 ?
N1 Sm1 N5 135.1(3) . 2_675 ?
N6 Sm1 C25 114.2(3) . . ?
N7 Sm1 C25 107.0(3) 2_675 . ?
N2 Sm1 C25 28.5(3) . . ?
N1 Sm1 C25 28.7(3) . . ?
N5 Sm1 C25 163.6(3) 2_675 . ?
N6 Sm1 C41 109.5(3) . 2_675 ?
N7 Sm1 C41 91.9(3) 2_675 2_675 ?
N2 Sm1 C41 162.1(3) . 2_675 ?
N1 Sm1 C41 106.8(3) . 2_675 ?
N5 Sm1 C41 28.9(2) 2_675 2_675 ?
C25 Sm1 C41 134.9(3) . 2_675 ?
N6 Sm1 C42 132.9(3) . 2_675 ?
N7 Sm1 C42 84.3(3) 2_675 2_675 ?
N2 Sm1 C42 135.9(3) . 2_675 ?
N1 Sm1 C42 84.3(3) . 2_675 ?
N5 Sm1 C42 51.4(3) 2_675 2_675 ?
C25 Sm1 C42 112.8(3) . 2_675 ?
C41 Sm1 C42 27.3(3) 2_675 2_675 ?
N6 Sm1 I1 74.07(19) . . ?
N7 Sm1 I1 142.48(18) 2_675 . ?
N2 Sm1 I1 113.6(2) . . ?
N1 Sm1 I1 109.05(19) . . ?
N5 Sm1 I1 72.99(16) 2_675 . ?
C25 Sm1 I1 107.6(2) . . ?
C41 Sm1 I1 73.5(2) 2_675 . ?
C42 Sm1 I1 95.3(2) 2_675 . ?
N6 Sm1 Sm2 38.79(19) . . ?
N7 Sm1 Sm2 41.99(19) 2_675 . ?
N2 Sm1 Sm2 80.08(18) . . ?
N1 Sm1 Sm2 128.62(18) . . ?
N5 Sm1 Sm2 86.41(17) 2_675 . ?
C25 Sm1 Sm2 107.8(2) . . ?
C41 Sm1 Sm2 113.25(18) 2_675 . ?
C42 Sm1 Sm2 120.1(2) 2_675 . ?
I1 Sm1 Sm2 112.15(2) . . ?
N6 Sm1 Sm3 42.00(19) . . ?
N7 Sm1 Sm3 85.63(18) 2_675 . ?
N2 Sm1 Sm3 130.0(2) . . ?
N1 Sm1 Sm3 165.58(19) . . ?
N5 Sm1 Sm3 42.38(17) 2_675 . ?
C25 Sm1 Sm3 151.6(2) . . ?
C41 Sm1 Sm3 67.82(18) 2_675 . ?
C42 Sm1 Sm3 93.40(19) 2_675 . ?
I1 Sm1 Sm3 56.894(16) . . ?
Sm2 Sm1 Sm3 64.566(15) . . ?
N6 Sm1 Sm3 80.65(19) . 2_675 ?
N7 Sm1 Sm3 36.54(19) 2_675 2_675 ?
N2 Sm1 Sm3 127.35(19) . 2_675 ?
N1 Sm1 Sm3 127.2(2) . 2_675 ?
N5 Sm1 Sm3 41.57(16) 2_675 2_675 ?
C25 Sm1 Sm3 139.9(2) . 2_675 ?
C41 Sm1 Sm3 57.89(18) 2_675 2_675 ?
C42 Sm1 Sm3 60.85(19) 2_675 2_675 ?
I1 Sm1 Sm3 112.32(2) . 2_675 ?
Sm2 Sm1 Sm3 59.647(14) . 2_675 ?
Sm3 Sm1 Sm3 62.369(15) . 2_675 ?
N6 Sm2 N7 79.3(3) . 2_675 ?
N6 Sm2 N3 92.3(3) . . ?
N7 Sm2 N3 89.4(3) 2_675 . ?
N6 Sm2 N4 125.5(3) . . ?
N7 Sm2 N4 133.8(3) 2_675 . ?
N3 Sm2 N4 55.4(3) . . ?
N6 Sm2 N5 78.6(3) . . ?
N7 Sm2 N5 78.8(2) 2_675 . ?
N3 Sm2 N5 166.2(3) . . ?
N4 Sm2 N5 138.4(2) . . ?
N6 Sm2 C34 113.8(3) . . ?
N7 Sm2 C34 110.1(3) 2_675 . ?
N3 Sm2 C34 28.0(3) . . ?
N4 Sm2 C34 28.0(3) . . ?
N5 Sm2 C34 165.4(3) . . ?
N6 Sm2 C46 120.5(3) . . ?
N7 Sm2 C46 116.9(3) 2_675 . ?
N3 Sm2 C46 140.0(3) . . ?
N4 Sm2 C46 85.6(3) . . ?
N5 Sm2 C46 53.4(3) . . ?
C34 Sm2 C46 112.1(3) . . ?
N6 Sm2 C53 106.0(3) . . ?
N7 Sm2 C53 28.9(3) 2_675 . ?
N3 Sm2 C53 77.8(3) . . ?
N4 Sm2 C53 107.4(3) . . ?
N5 Sm2 C53 94.6(2) . . ?
C34 Sm2 C53 89.2(3) . . ?
C46 Sm2 C53 110.4(3) . . ?
N6 Sm2 C41 93.1(3) . . ?
N7 Sm2 C41 105.8(3) 2_675 . ?
N3 Sm2 C41 164.5(3) . . ?
N4 Sm2 C41 110.2(3) . . ?
N5 Sm2 C41 28.7(2) . . ?
C34 Sm2 C41 138.2(3) . . ?
C46 Sm2 C41 28.9(3) . . ?
C53 Sm2 C41 114.5(3) . . ?
N6 Sm2 C47 27.5(3) . . ?
N7 Sm2 C47 105.8(3) 2_675 . ?
N3 Sm2 C47 85.4(3) . . ?
N4 Sm2 C47 100.4(3) . . ?
N5 Sm2 C47 90.9(2) . . ?
C34 Sm2 C47 97.4(3) . . ?
C46 Sm2 C47 112.6(3) . . ?
C53 Sm2 C47 129.9(3) . . ?
C41 Sm2 C47 92.7(3) . . ?
N6 Sm2 Sm1 40.2(2) . . ?
N7 Sm2 Sm1 40.99(18) 2_675 . ?
N3 Sm2 Sm1 81.64(18) . . ?
N4 Sm2 Sm1 136.28(18) . . ?
N5 Sm2 Sm1 84.72(16) . . ?
C34 Sm2 Sm1 109.6(2) . . ?
C46 Sm2 Sm1 138.1(2) . . ?
C53 Sm2 Sm1 65.89(19) . . ?
C41 Sm2 Sm1 111.47(19) . . ?
C47 Sm2 Sm1 65.15(19) . . ?
N6 Sm2 Sm3 85.1(2) . 2_675 ?
N7 Sm2 Sm3 39.86(18) 2_675 2_675 ?
N3 Sm2 Sm3 128.9(2) . 2_675 ?
N4 Sm2 Sm3 149.33(19) . 2_675 ?
N5 Sm2 Sm3 40.75(17) . 2_675 ?
C34 Sm2 Sm3 143.3(2) . 2_675 ?
C46 Sm2 Sm3 79.9(2) . 2_675 ?
C53 Sm2 Sm3 54.55(18) . 2_675 ?
C41 Sm2 Sm3 66.08(19) . 2_675 ?
C47 Sm2 Sm3 110.05(19) . 2_675 ?
Sm1 Sm2 Sm3 64.026(14) . 2_675 ?
N7 Sm3 N5 84.1(3) . 2_675 ?
N7 Sm3 N6 156.7(3) . . ?
N5 Sm3 N6 85.8(3) 2_675 . ?
N7 Sm3 O1 88.8(2) . . ?
N5 Sm3 O1 155.6(3) 2_675 . ?
N6 Sm3 O1 108.4(3) . . ?
N7 Sm3 N5 78.9(2) . . ?
N5 Sm3 N5 78.5(3) 2_675 . ?
N6 Sm3 N5 78.5(3) . . ?
O1 Sm3 N5 122.9(3) . . ?
N7 Sm3 C47 159.7(3) . . ?
N5 Sm3 C47 111.8(3) 2_675 . ?
N6 Sm3 C47 27.2(3) . . ?
O1 Sm3 C47 81.3(3) . . ?
N5 Sm3 C47 91.6(3) . . ?
N7 Sm3 C53 25.9(2) . 2_675 ?
N5 Sm3 C53 95.4(3) 2_675 2_675 ?
N6 Sm3 C53 177.5(3) . 2_675 ?
O1 Sm3 C53 69.7(2) . 2_675 ?
N5 Sm3 C53 104.0(2) . 2_675 ?
C47 Sm3 C53 151.0(3) . 2_675 ?
N7 Sm3 I1 123.30(18) . . ?
N5 Sm3 I1 76.85(18) 2_675 . ?
N6 Sm3 I1 74.31(18) . . ?
O1 Sm3 I1 87.81(18) . . ?
N5 Sm3 I1 144.30(17) . . ?
C47 Sm3 I1 74.25(19) . . ?
C53 Sm3 I1 103.72(18) 2_675 . ?
N7 Sm3 Sm1 131.83(18) . . ?
N5 Sm3 Sm1 47.95(18) 2_675 . ?
N6 Sm3 Sm1 40.41(19) . . ?
O1 Sm3 Sm1 136.19(17) . . ?
N5 Sm3 Sm1 85.97(17) . . ?
C47 Sm3 Sm1 64.27(19) . . ?
C53 Sm3 Sm1 139.92(18) 2_675 . ?
I1 Sm3 Sm1 58.330(17) . . ?
N7 Sm3 Sm2 39.75(18) . 2_675 ?
N5 Sm3 Sm2 46.38(18) 2_675 2_675 ?
N6 Sm3 Sm2 131.79(19) . 2_675 ?
O1 Sm3 Sm2 118.50(17) . 2_675 ?
N5 Sm3 Sm2 85.05(18) . 2_675 ?
C47 Sm3 Sm2 158.17(19) . 2_675 ?
C53 Sm3 Sm2 49.66(17) 2_675 2_675 ?
I1 Sm3 Sm2 96.14(2) . 2_675 ?
Sm1 Sm3 Sm2 93.955(18) . 2_675 ?
N7 Sm3 Sm2 123.40(18) . . ?
N5 Sm3 Sm2 84.36(18) 2_675 . ?
N6 Sm3 Sm2 34.34(18) . . ?
O1 Sm3 Sm2 118.65(19) . . ?
N5 Sm3 Sm2 44.47(17) . . ?
C47 Sm3 Sm2 49.84(18) . . ?
C53 Sm3 Sm2 147.99(18) 2_675 . ?
I1 Sm3 Sm2 107.33(2) . . ?
Sm1 Sm3 Sm2 57.473(13) . . ?
Sm2 Sm3 Sm2 118.270(15) 2_675 . ?
N7 Sm3 Sm1 35.62(18) . 2_675 ?
N5 Sm3 Sm1 82.17(18) 2_675 2_675 ?
N6 Sm3 Sm1 121.97(18) . 2_675 ?
O1 Sm3 Sm1 105.18(17) . 2_675 ?
N5 Sm3 Sm1 43.52(17) . 2_675 ?
C47 Sm3 Sm1 130.97(19) . 2_675 ?
C53 Sm3 Sm1 60.49(18) 2_675 2_675 ?
I1 Sm3 Sm1 152.46(2) . 2_675 ?
Sm1 Sm3 Sm1 117.631(15) . 2_675 ?
Sm2 Sm3 Sm1 56.327(13) 2_675 2_675 ?
Sm2 Sm3 Sm1 87.910(16) . 2_675 ?
Sm3 I1 Sm1 64.776(17) . . ?
N3 Si1 N2 104.4(4) . . ?
N3 Si1 C32 106.0(5) . . ?
N2 Si1 C32 117.4(5) . . ?
N3 Si1 C33 117.9(5) . . ?
N2 Si1 C33 105.8(5) . . ?
C32 Si1 C33 105.9(5) . . ?
C25 N1 C1 121.9(8) . . ?
C25 N1 Sm1 90.9(6) . . ?
C1 N1 Sm1 140.8(6) . . ?
C25 N2 Si1 127.9(7) . . ?
C25 N2 Sm1 92.8(6) . . ?
Si1 N2 Sm1 137.9(4) . . ?
C34 N3 Si1 130.4(7) . . ?
C34 N3 Sm2 93.6(6) . . ?
Si1 N3 Sm2 135.3(4) . . ?
C34 N4 C13 125.4(8) . . ?
C34 N4 Sm2 92.4(6) . . ?
C13 N4 Sm2 138.9(6) . . ?
C41 N5 Sm3 145.6(6) . 2_675 ?
C41 N5 Sm3 112.9(6) . . ?
Sm3 N5 Sm3 101.5(3) 2_675 . ?
C41 N5 Sm1 86.4(5) . 2_675 ?
Sm3 N5 Sm1 89.7(3) 2_675 2_675 ?
Sm3 N5 Sm1 94.9(2) . 2_675 ?
C41 N5 Sm2 86.4(5) . . ?
Sm3 N5 Sm2 92.9(2) 2_675 . ?
Sm3 N5 Sm2 93.4(2) . . ?
Sm1 N5 Sm2 170.6(3) 2_675 . ?
C47 N6 Sm2 104.9(6) . . ?
C47 N6 Sm1 140.3(6) . . ?
Sm2 N6 Sm1 101.0(3) . . ?
C47 N6 Sm3 101.8(6) . . ?
Sm2 N6 Sm3 108.8(3) . . ?
Sm1 N6 Sm3 97.6(3) . . ?
C53 N7 Sm1 140.9(6) 2_675 2_675 ?
C53 N7 Sm2 95.8(6) 2_675 2_675 ?
Sm1 N7 Sm2 97.0(3) 2_675 2_675 ?
C53 N7 Sm3 105.9(6) 2_675 . ?
Sm1 N7 Sm3 107.8(3) 2_675 . ?
Sm2 N7 Sm3 100.4(3) 2_675 . ?
C62 O1 C59 108.2(9) . . ?
C62 O1 Sm3 128.1(6) . . ?
C59 O1 Sm3 123.8(8) . . ?
C63 O2 C65 111.9(13) . . ?
C6 C1 C2 120.7(10) . . ?
C6 C1 N1 123.0(10) . . ?
C2 C1 N1 115.9(9) . . ?
C3 C2 C1 117.8(11) . . ?
C3 C2 C7 120.6(11) . . ?
C1 C2 C7 121.6(10) . . ?
C2 C3 C4 121.0(13) . . ?
C2 C3 H3A 119.5 . . ?
C4 C3 H3A 119.5 . . ?
C5 C4 C3 120.1(12) . . ?
C5 C4 H4A 120.0 . . ?
C3 C4 H4A 120.0 . . ?
C4 C5 C6 122.2(12) . . ?
C4 C5 H5A 118.9 . . ?
C6 C5 H5A 118.9 . . ?
C5 C6 C1 117.6(12) . . ?
C5 C6 C10 119.1(11) . . ?
C1 C6 C10 123.2(9) . . ?
C8 C7 C2 116.9(10) . . ?
C8 C7 C9 108.3(10) . . ?
C2 C7 C9 109.6(11) . . ?
C8 C7 H7C 107.2 . . ?
C2 C7 H7C 107.2 . . ?
C9 C7 H7C 107.2 . . ?
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 . . ?
C12 C10 C6 108.7(11) . . ?
C12 C10 C11 111.0(10) . . ?
C6 C10 C11 112.6(9) . . ?
C12 C10 H10A 108.1 . . ?
C6 C10 H10A 108.1 . . ?
C11 C10 H10A 108.1 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C18 121.3(10) . . ?
C14 C13 N4 122.4(10) . . ?
C18 C13 N4 116.0(9) . . ?
C13 C14 C15 116.3(12) . . ?
C13 C14 C19 124.2(10) . . ?
C15 C14 C19 119.5(11) . . ?
C16 C15 C14 122.6(13) . . ?
C16 C15 H15A 118.7 . . ?
C14 C15 H15A 118.7 . . ?
C17 C16 C15 120.6(12) . . ?
C17 C16 H16A 119.7 . . ?
C15 C16 H16A 119.7 . . ?
C16 C17 C18 120.8(12) . . ?
C16 C17 H17A 119.6 . . ?
C18 C17 H17A 119.6 . . ?
C17 C18 C13 118.4(11) . . ?
C17 C18 C22 119.8(11) . . ?
C13 C18 C22 121.7(10) . . ?
C21 C19 C20 109.8(10) . . ?
C21 C19 C14 109.7(11) . . ?
C20 C19 C14 110.1(10) . . ?
C21 C19 H19A 109.1 . . ?
C20 C19 H19A 109.1 . . ?
C14 C19 H19A 109.1 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C22 C24 114.1(12) . . ?
C18 C22 C23 111.1(11) . . ?
C24 C22 C23 111.7(14) . . ?
C18 C22 H22A 106.5 . . ?
C24 C22 H22A 106.5 . . ?
C23 C22 H22A 106.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N2 C25 N1 114.7(8) . . ?
N2 C25 C26 122.5(10) . . ?
N1 C25 C26 122.8(9) . . ?
N2 C25 Sm1 58.7(5) . . ?
N1 C25 Sm1 60.4(5) . . ?
C26 C25 Sm1 157.3(9) . . ?
C27 C26 C31 118.0(12) . . ?
C27 C26 C25 125.9(13) . . ?
C31 C26 C25 116.0(12) . . ?
C26 C27 C28 117.8(18) . . ?
C26 C27 H27A 121.1 . . ?
C28 C27 H27A 121.1 . . ?
C29 C28 C27 125(2) . . ?
C29 C28 H28A 117.7 . . ?
C27 C28 H28A 117.7 . . ?
C28 C29 C30 121.0(17) . . ?
C28 C29 H29A 119.5 . . ?
C30 C29 H29A 119.5 . . ?
C29 C30 C31 116.8(19) . . ?
C29 C30 H30A 121.6 . . ?
C31 C30 H30A 121.6 . . ?
C26 C31 C30 121.6(17) . . ?
C26 C31 H31A 119.2 . . ?
C30 C31 H31A 119.2 . . ?
Si1 C32 H32A 109.5 . . ?
Si1 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si1 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si1 C33 H33A 109.5 . . ?
Si1 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si1 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N4 C34 N3 116.1(9) . . ?
N4 C34 C35 122.2(9) . . ?
N3 C34 C35 121.4(9) . . ?
N4 C34 Sm2 59.6(5) . . ?
N3 C34 Sm2 58.4(5) . . ?
C35 C34 Sm2 161.3(7) . . ?
C40 C35 C36 118.5(10) . . ?
C40 C35 C34 119.9(9) . . ?
C36 C35 C34 121.6(10) . . ?
C37 C36 C35 119.4(11) . . ?
C37 C36 H36A 120.3 . . ?
C35 C36 H36A 120.3 . . ?
C36 C37 C38 121.7(11) . . ?
C36 C37 H37A 119.1 . . ?
C38 C37 H37A 119.1 . . ?
C39 C38 C37 118.5(11) . . ?
C39 C38 H38A 120.8 . . ?
C37 C38 H38A 120.8 . . ?
C38 C39 C40 120.7(12) . . ?
C38 C39 H39A 119.6 . . ?
C40 C39 H39A 119.6 . . ?
C39 C40 C35 121.1(11) . . ?
C39 C40 H40A 119.4 . . ?
C35 C40 H40A 119.4 . . ?
C42 C41 N5 122.7(9) . . ?
C42 C41 C46 116.4(9) . . ?
N5 C41 C46 120.9(9) . . ?
C42 C41 Sm1 79.4(6) . 2_675 ?
N5 C41 Sm1 64.7(5) . 2_675 ?
C46 C41 Sm1 132.3(7) . 2_675 ?
C42 C41 Sm2 135.1(7) . . ?
N5 C41 Sm2 64.9(5) . . ?
C46 C41 Sm2 72.6(5) . . ?
Sm1 C41 Sm2 129.2(3) 2_675 . ?
C41 C42 C43 121.3(10) . . ?
C41 C42 Sm1 73.2(6) . 2_675 ?
C43 C42 Sm1 135.2(8) . 2_675 ?
C41 C42 H42A 119.3 . . ?
C43 C42 H42A 119.3 . . ?
Sm1 C42 H42A 64.6 2_675 . ?
C44 C43 C42 123.5(11) . . ?
C44 C43 H43A 118.3 . . ?
C42 C43 H43A 118.3 . . ?
C43 C44 C45 116.2(11) . . ?
C43 C44 H44A 121.9 . . ?
C45 C44 H44A 121.9 . . ?
C46 C45 C44 121.7(11) . . ?
C46 C45 H45A 119.1 . . ?
C44 C45 H45A 119.1 . . ?
C45 C46 C41 120.7(10) . . ?
C45 C46 Sm2 130.3(8) . . ?
C41 C46 Sm2 78.6(5) . . ?
C45 C46 H46A 107.8 . . ?
C41 C46 H46A 107.8 . . ?
Sm2 C46 H46A 107.8 . . ?
C52 C47 N6 120.5(9) . . ?
C52 C47 C48 117.9(10) . . ?
N6 C47 C48 121.7(9) . . ?
C52 C47 Sm2 90.7(6) . . ?
N6 C47 Sm2 47.6(4) . . ?
C48 C47 Sm2 132.9(7) . . ?
C52 C47 Sm3 86.0(6) . . ?
N6 C47 Sm3 51.0(4) . . ?
C48 C47 Sm3 135.4(7) . . ?
Sm2 C47 Sm3 78.7(2) . . ?
C49 C48 C47 120.5(12) . . ?
C49 C48 H48A 119.7 . . ?
C47 C48 H48A 119.7 . . ?
C48 C49 C50 118.7(13) . . ?
C48 C49 H49A 120.6 . . ?
C50 C49 H49A 120.6 . . ?
C51 C50 C49 121.2(13) . . ?
C51 C50 H50A 119.4 . . ?
C49 C50 H50A 119.4 . . ?
C50 C51 C52 120.1(13) . . ?
C50 C51 H51A 120.0 . . ?
C52 C51 H51A 120.0 . . ?
C51 C52 C47 121.5(12) . . ?
C51 C52 H52A 119.3 . . ?
C47 C52 H52A 119.3 . . ?
C54 C53 N7 122.6(9) . 2_675 ?
C54 C53 C58 115.6(9) . . ?
N7 C53 C58 121.8(9) 2_675 . ?
C54 C53 Sm2 88.2(6) . . ?
N7 C53 Sm2 55.3(5) 2_675 . ?
C58 C53 Sm2 130.6(7) . . ?
C54 C53 Sm3 83.8(6) . 2_675 ?
N7 C53 Sm3 48.2(4) 2_675 2_675 ?
C58 C53 Sm3 144.7(7) . 2_675 ?
Sm2 C53 Sm3 75.8(2) . 2_675 ?
C55 C54 C53 122.9(10) . . ?
C55 C54 H54A 118.6 . . ?
C53 C54 H54A 118.6 . . ?
C54 C55 C56 119.2(11) . . ?
C54 C55 H55A 120.4 . . ?
C56 C55 H55A 120.4 . . ?
C57 C56 C55 119.4(11) . . ?
C57 C56 H56A 120.3 . . ?
C55 C56 H56A 120.3 . . ?
C56 C57 C58 121.4(12) . . ?
C56 C57 H57A 119.3 . . ?
C58 C57 H57A 119.3 . . ?
C57 C58 C53 121.4(10) . . ?
C57 C58 H58A 119.3 . . ?
C53 C58 H58A 119.3 . . ?
C60 C59 O1 107.8(12) . . ?
C60 C59 H59A 110.2 . . ?
O1 C59 H59A 110.2 . . ?
C60 C59 H59B 110.2 . . ?
O1 C59 H59B 110.2 . . ?
H59A C59 H59B 108.5 . . ?
C59 C60 C61 110.3(11) . . ?
C59 C60 H60A 109.6 . . ?
C61 C60 H60A 109.6 . . ?
C59 C60 H60B 109.6 . . ?
C61 C60 H60B 109.6 . . ?
H60A C60 H60B 108.1 . . ?
C60 C61 C62 102.6(10) . . ?
C60 C61 H61A 111.3 . . ?
C62 C61 H61A 111.3 . . ?
C60 C61 H61B 111.3 . . ?
C62 C61 H61B 111.3 . . ?
H61A C61 H61B 109.2 . . ?
O1 C62 C61 105.3(9) . . ?
O1 C62 H62A 110.7 . . ?
C61 C62 H62A 110.7 . . ?
O1 C62 H62B 110.7 . . ?
C61 C62 H62B 110.7 . . ?
H62A C62 H62B 108.8 . . ?
O2 C63 C64 107.7(15) . . ?
O2 C63 H63A 110.2 . . ?
C64 C63 H63A 110.2 . . ?
O2 C63 H63B 110.2 . . ?
C64 C63 H63B 110.2 . . ?
H63A C63 H63B 108.5 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
O2 C65 C66 108.7(13) . . ?
O2 C65 H65A 110.0 . . ?
C66 C65 H65A 110.0 . . ?
O2 C65 H65B 110.0 . . ?
C66 C65 H65B 110.0 . . ?
H65A C65 H65B 108.3 . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
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 N6 2.314(8) . ?
Sm1 N7 2.326(7) 2_675 ?
Sm1 N2 2.406(8) . ?
Sm1 N1 2.448(8) . ?
Sm1 N5 2.627(8) 2_675 ?
Sm1 C25 2.814(10) . ?
Sm1 C41 2.901(9) 2_675 ?
Sm1 C42 2.979(11) 2_675 ?
Sm1 I1 3.3283(9) . ?
Sm1 Sm2 3.5188(7) . ?
Sm1 Sm3 3.5378(7) . ?
Sm1 Sm3 3.8012(7) 2_675 ?
Sm2 N6 2.246(8) . ?
Sm2 N7 2.372(8) 2_675 ?
Sm2 N3 2.419(8) . ?
Sm2 N4 2.447(8) . ?
Sm2 N5 2.645(8) . ?
Sm2 C34 2.835(10) . ?
Sm2 C46 2.838(9) . ?
Sm2 C53 2.869(9) . ?
Sm2 C41 2.915(9) . ?
Sm2 C47 2.938(10) . ?
Sm2 Sm3 3.6487(8) 2_675 ?
Sm3 N7 2.378(8) . ?
Sm3 N5 2.385(8) 2_675 ?
Sm3 N6 2.388(8) . ?
Sm3 O1 2.479(7) . ?
Sm3 N5 2.531(7) . ?
Sm3 C47 3.008(10) . ?
Sm3 C53 3.066(9) 2_675 ?
Sm3 I1 3.2759(8) . ?
Sm3 Sm2 3.6487(8) 2_675 ?
Sm3 Sm1 3.8012(7) 2_675 ?
Si1 N3 1.737(8) . ?
Si1 N2 1.753(8) . ?
Si1 C32 1.874(11) . ?
Si1 C33 1.876(11) . ?
N1 C25 1.349(13) . ?
N1 C1 1.434(12) . ?
N2 C25 1.345(12) . ?
N3 C34 1.332(12) . ?
N4 C34 1.332(12) . ?
N4 C13 1.454(12) . ?
N5 C41 1.404(11) . ?
N5 Sm3 2.385(8) 2_675 ?
N5 Sm1 2.627(8) 2_675 ?
N6 C47 1.404(12) . ?
N7 C53 1.392(12) 2_675 ?
N7 Sm1 2.326(7) 2_675 ?
N7 Sm2 2.372(8) 2_675 ?
O1 C62 1.439(13) . ?
O1 C59 1.458(14) . ?
O2 C63 1.377(19) . ?
O2 C65 1.420(18) . ?
C1 C6 1.401(15) . ?
C1 C2 1.418(15) . ?
C2 C3 1.378(16) . ?
C2 C7 1.532(16) . ?
C3 C4 1.398(18) . ?
C3 H3A 0.9500 . ?
C4 C5 1.334(18) . ?
C4 H4A 0.9500 . ?
C5 C6 1.397(15) . ?
C5 H5A 0.9500 . ?
C6 C10 1.524(16) . ?
C7 C8 1.482(16) . ?
C7 C9 1.536(17) . ?
C7 H7C 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C12 1.502(16) . ?
C10 C11 1.545(17) . ?
C10 H10A 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.383(15) . ?
C13 C18 1.417(15) . ?
C14 C15 1.392(16) . ?
C14 C19 1.526(16) . ?
C15 C16 1.362(19) . ?
C15 H15A 0.9500 . ?
C16 C17 1.336(18) . ?
C16 H16A 0.9500 . ?
C17 C18 1.380(15) . ?
C17 H17A 0.9500 . ?
C18 C22 1.501(17) . ?
C19 C21 1.516(16) . ?
C19 C20 1.517(16) . ?
C19 H19A 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C24 1.517(18) . ?
C22 C23 1.55(2) . ?
C22 H22A 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.475(14) . ?
C26 C27 1.363(18) . ?
C26 C31 1.404(19) . ?
C27 C28 1.41(2) . ?
C27 H27A 0.9500 . ?
C28 C29 1.27(3) . ?
C28 H28A 0.9500 . ?
C29 C30 1.38(3) . ?
C29 H29A 0.9500 . ?
C30 C31 1.410(18) . ?
C30 H30A 0.9500 . ?
C31 H31A 0.9500 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.501(14) . ?
C35 C40 1.392(15) . ?
C35 C36 1.412(15) . ?
C36 C37 1.368(15) . ?
C36 H36A 0.9500 . ?
C37 C38 1.403(17) . ?
C37 H37A 0.9500 . ?
C38 C39 1.375(17) . ?
C38 H38A 0.9500 . ?
C39 C40 1.377(14) . ?
C39 H39A 0.9500 . ?
C40 H40A 0.9500 . ?
C41 C42 1.391(13) . ?
C41 C46 1.435(13) . ?
C41 Sm1 2.901(9) 2_675 ?
C42 C43 1.395(14) . ?
C42 Sm1 2.979(11) 2_675 ?
C42 H42A 0.9500 . ?
C43 C44 1.360(16) . ?
C43 H43A 0.9500 . ?
C44 C45 1.423(17) . ?
C44 H44A 0.9500 . ?
C45 C46 1.387(16) . ?
C45 H45A 0.9500 . ?
C46 H46A 1.0000 . ?
C47 C52 1.400(14) . ?
C47 C48 1.407(14) . ?
C48 C49 1.394(16) . ?
C48 H48A 0.9500 . ?
C49 C50 1.41(2) . ?
C49 H49A 0.9500 . ?
C50 C51 1.343(19) . ?
C50 H50A 0.9500 . ?
C51 C52 1.384(17) . ?
C51 H51A 0.9500 . ?
C52 H52A 0.9500 . ?
C53 C54 1.385(13) . ?
C53 N7 1.392(12) 2_675 ?
C53 C58 1.416(13) . ?
C53 Sm3 3.066(9) 2_675 ?
C54 C55 1.384(14) . ?
C54 H54A 0.9500 . ?
C55 C56 1.403(17) . ?
C55 H55A 0.9500 . ?
C56 C57 1.341(17) . ?
C56 H56A 0.9500 . ?
C57 C58 1.384(15) . ?
C57 H57A 0.9500 . ?
C58 H58A 0.9500 . ?
C59 C60 1.393(18) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 C61 1.513(18) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C61 C62 1.542(15) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.55(3) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 C66 1.49(2) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
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
N7 Sm1 Sm2 N6 157.5(4) 2_675 . . . ?
N2 Sm1 Sm2 N6 -100.0(4) . . . . ?
N1 Sm1 Sm2 N6 -129.3(4) . . . . ?
N5 Sm1 Sm2 N6 81.6(3) 2_675 . . . ?
C25 Sm1 Sm2 N6 -106.7(4) . . . . ?
C41 Sm1 Sm2 N6 92.5(4) 2_675 . . . ?
C42 Sm1 Sm2 N6 122.2(4) 2_675 . . . ?
I1 Sm1 Sm2 N6 11.6(3) . . . . ?
Sm3 Sm1 Sm2 N6 43.8(3) . . . . ?
Sm3 Sm1 Sm2 N6 115.3(3) 2_675 . . . ?
N6 Sm1 Sm2 N7 -157.5(4) . . . 2_675 ?
N2 Sm1 Sm2 N7 102.5(3) . . . 2_675 ?
N1 Sm1 Sm2 N7 73.2(4) . . . 2_675 ?
N5 Sm1 Sm2 N7 -75.9(3) 2_675 . . 2_675 ?
C25 Sm1 Sm2 N7 95.8(4) . . . 2_675 ?
C41 Sm1 Sm2 N7 -65.0(3) 2_675 . . 2_675 ?
C42 Sm1 Sm2 N7 -35.3(4) 2_675 . . 2_675 ?
I1 Sm1 Sm2 N7 -145.9(3) . . . 2_675 ?
Sm3 Sm1 Sm2 N7 -113.7(3) . . . 2_675 ?
Sm3 Sm1 Sm2 N7 -42.2(3) 2_675 . . 2_675 ?
N6 Sm1 Sm2 N3 103.6(4) . . . . ?
N7 Sm1 Sm2 N3 -98.9(3) 2_675 . . . ?
N2 Sm1 Sm2 N3 3.7(3) . . . . ?
N1 Sm1 Sm2 N3 -25.7(3) . . . . ?
N5 Sm1 Sm2 N3 -174.7(3) 2_675 . . . ?
C25 Sm1 Sm2 N3 -3.0(3) . . . . ?
C41 Sm1 Sm2 N3 -163.8(3) 2_675 . . . ?
C42 Sm1 Sm2 N3 -134.1(3) 2_675 . . . ?
I1 Sm1 Sm2 N3 115.3(2) . . . . ?
Sm3 Sm1 Sm2 N3 147.4(2) . . . . ?
Sm3 Sm1 Sm2 N3 -141.0(2) 2_675 . . . ?
N6 Sm1 Sm2 N4 93.6(4) . . . . ?
N7 Sm1 Sm2 N4 -108.9(4) 2_675 . . . ?
N2 Sm1 Sm2 N4 -6.3(3) . . . . ?
N1 Sm1 Sm2 N4 -35.7(4) . . . . ?
N5 Sm1 Sm2 N4 175.3(3) 2_675 . . . ?
C25 Sm1 Sm2 N4 -13.0(4) . . . . ?
C41 Sm1 Sm2 N4 -173.8(3) 2_675 . . . ?
C42 Sm1 Sm2 N4 -144.1(4) 2_675 . . . ?
I1 Sm1 Sm2 N4 105.3(3) . . . . ?
Sm3 Sm1 Sm2 N4 137.4(3) . . . . ?
Sm3 Sm1 Sm2 N4 -151.0(3) 2_675 . . . ?
N6 Sm1 Sm2 N5 -78.6(3) . . . . ?
N7 Sm1 Sm2 N5 78.9(3) 2_675 . . . ?
N2 Sm1 Sm2 N5 -178.5(3) . . . . ?
N1 Sm1 Sm2 N5 152.1(3) . . . . ?
N5 Sm1 Sm2 N5 3.0(3) 2_675 . . . ?
C25 Sm1 Sm2 N5 174.8(3) . . . . ?
C41 Sm1 Sm2 N5 14.0(3) 2_675 . . . ?
C42 Sm1 Sm2 N5 43.7(3) 2_675 . . . ?
I1 Sm1 Sm2 N5 -66.95(16) . . . . ?
Sm3 Sm1 Sm2 N5 -34.80(16) . . . . ?
Sm3 Sm1 Sm2 N5 36.74(16) 2_675 . . . ?
N6 Sm1 Sm2 C34 104.0(4) . . . . ?
N7 Sm1 Sm2 C34 -98.5(4) 2_675 . . . ?
N2 Sm1 Sm2 C34 4.1(3) . . . . ?
N1 Sm1 Sm2 C34 -25.3(3) . . . . ?
N5 Sm1 Sm2 C34 -174.3(3) 2_675 . . . ?
C25 Sm1 Sm2 C34 -2.6(3) . . . . ?
C41 Sm1 Sm2 C34 -163.4(3) 2_675 . . . ?
C42 Sm1 Sm2 C34 -133.7(3) 2_675 . . . ?
I1 Sm1 Sm2 C34 115.7(2) . . . . ?
Sm3 Sm1 Sm2 C34 147.8(2) . . . . ?
Sm3 Sm1 Sm2 C34 -140.6(2) 2_675 . . . ?
N6 Sm1 Sm2 C46 -81.8(5) . . . . ?
N7 Sm1 Sm2 C46 75.7(4) 2_675 . . . ?
N2 Sm1 Sm2 C46 178.2(4) . . . . ?
N1 Sm1 Sm2 C46 148.9(4) . . . . ?
N5 Sm1 Sm2 C46 -0.2(4) 2_675 . . . ?
C25 Sm1 Sm2 C46 171.5(4) . . . . ?
C41 Sm1 Sm2 C46 10.7(4) 2_675 . . . ?
C42 Sm1 Sm2 C46 40.4(4) 2_675 . . . ?
I1 Sm1 Sm2 C46 -70.2(3) . . . . ?
Sm3 Sm1 Sm2 C46 -38.0(3) . . . . ?
Sm3 Sm1 Sm2 C46 33.5(3) 2_675 . . . ?
N6 Sm1 Sm2 C53 -176.1(4) . . . . ?
N7 Sm1 Sm2 C53 -18.6(3) 2_675 . . . ?
N2 Sm1 Sm2 C53 84.0(3) . . . . ?
N1 Sm1 Sm2 C53 54.6(3) . . . . ?
N5 Sm1 Sm2 C53 -94.4(3) 2_675 . . . ?
C25 Sm1 Sm2 C53 77.3(3) . . . . ?
C41 Sm1 Sm2 C53 -83.5(3) 2_675 . . . ?
C42 Sm1 Sm2 C53 -53.8(3) 2_675 . . . ?
I1 Sm1 Sm2 C53 -164.4(2) . . . . ?
Sm3 Sm1 Sm2 C53 -132.3(2) . . . . ?
Sm3 Sm1 Sm2 C53 -60.7(2) 2_675 . . . ?
N6 Sm1 Sm2 C41 -67.9(4) . . . . ?
N7 Sm1 Sm2 C41 89.6(3) 2_675 . . . ?
N2 Sm1 Sm2 C41 -167.8(3) . . . . ?
N1 Sm1 Sm2 C41 162.8(3) . . . . ?
N5 Sm1 Sm2 C41 13.7(3) 2_675 . . . ?
C25 Sm1 Sm2 C41 -174.5(3) . . . . ?
C41 Sm1 Sm2 C41 24.7(4) 2_675 . . . ?
C42 Sm1 Sm2 C41 54.4(3) 2_675 . . . ?
I1 Sm1 Sm2 C41 -56.2(2) . . . . ?
Sm3 Sm1 Sm2 C41 -24.1(2) . . . . ?
Sm3 Sm1 Sm2 C41 47.4(2) 2_675 . . . ?
N6 Sm1 Sm2 C47 14.9(4) . . . . ?
N7 Sm1 Sm2 C47 172.4(3) 2_675 . . . ?
N2 Sm1 Sm2 C47 -85.1(3) . . . . ?
N1 Sm1 Sm2 C47 -114.4(3) . . . . ?
N5 Sm1 Sm2 C47 96.5(3) 2_675 . . . ?
C25 Sm1 Sm2 C47 -91.8(3) . . . . ?
C41 Sm1 Sm2 C47 107.4(3) 2_675 . . . ?
C42 Sm1 Sm2 C47 137.1(3) 2_675 . . . ?
I1 Sm1 Sm2 C47 26.5(2) . . . . ?
Sm3 Sm1 Sm2 C47 58.7(2) . . . . ?
Sm3 Sm1 Sm2 C47 130.2(2) 2_675 . . . ?
N6 Sm1 Sm2 Sm3 -115.3(3) . . . 2_675 ?
N7 Sm1 Sm2 Sm3 42.2(3) 2_675 . . 2_675 ?
N2 Sm1 Sm2 Sm3 144.7(2) . . . 2_675 ?
N1 Sm1 Sm2 Sm3 115.4(3) . . . 2_675 ?
N5 Sm1 Sm2 Sm3 -33.70(16) 2_675 . . 2_675 ?
C25 Sm1 Sm2 Sm3 138.0(2) . . . 2_675 ?
C41 Sm1 Sm2 Sm3 -22.8(2) 2_675 . . 2_675 ?
C42 Sm1 Sm2 Sm3 6.9(2) 2_675 . . 2_675 ?
I1 Sm1 Sm2 Sm3 -103.70(2) . . . 2_675 ?
Sm3 Sm1 Sm2 Sm3 -71.541(17) . . . 2_675 ?
N6 Sm1 Sm3 N7 148.2(4) . . . . ?
N7 Sm1 Sm3 N7 69.9(4) 2_675 . . . ?
N2 Sm1 Sm3 N7 157.3(3) . . . . ?
N1 Sm1 Sm3 N7 -94.4(8) . . . . ?
N5 Sm1 Sm3 N7 -6.9(3) 2_675 . . . ?
C25 Sm1 Sm3 N7 -171.8(5) . . . . ?
C41 Sm1 Sm3 N7 -24.0(3) 2_675 . . . ?
C42 Sm1 Sm3 N7 -14.1(3) 2_675 . . . ?
I1 Sm1 Sm3 N7 -108.3(2) . . . . ?
Sm2 Sm1 Sm3 N7 107.8(2) . . . . ?
Sm3 Sm1 Sm3 N7 40.3(2) 2_675 . . . ?
N6 Sm1 Sm3 N5 155.1(4) . . . 2_675 ?
N7 Sm1 Sm3 N5 76.8(3) 2_675 . . 2_675 ?
N2 Sm1 Sm3 N5 164.3(3) . . . 2_675 ?
N1 Sm1 Sm3 N5 -87.5(8) . . . 2_675 ?
C25 Sm1 Sm3 N5 -164.9(5) . . . 2_675 ?
C41 Sm1 Sm3 N5 -17.0(3) 2_675 . . 2_675 ?
C42 Sm1 Sm3 N5 -7.2(3) 2_675 . . 2_675 ?
I1 Sm1 Sm3 N5 -101.3(2) . . . 2_675 ?
Sm2 Sm1 Sm3 N5 114.7(2) . . . 2_675 ?
Sm3 Sm1 Sm3 N5 47.2(2) 2_675 . . 2_675 ?
N7 Sm1 Sm3 N6 -78.3(3) 2_675 . . . ?
N2 Sm1 Sm3 N6 9.2(4) . . . . ?
N1 Sm1 Sm3 N6 117.4(8) . . . . ?
N5 Sm1 Sm3 N6 -155.1(4) 2_675 . . . ?
C25 Sm1 Sm3 N6 40.0(5) . . . . ?
C41 Sm1 Sm3 N6 -172.1(3) 2_675 . . . ?
C42 Sm1 Sm3 N6 -162.3(3) 2_675 . . . ?
I1 Sm1 Sm3 N6 103.6(3) . . . . ?
Sm2 Sm1 Sm3 N6 -40.4(3) . . . . ?
Sm3 Sm1 Sm3 N6 -107.9(3) 2_675 . . . ?
N6 Sm1 Sm3 O1 -58.6(4) . . . . ?
N7 Sm1 Sm3 O1 -136.9(3) 2_675 . . . ?
N2 Sm1 Sm3 O1 -49.5(4) . . . . ?
N1 Sm1 Sm3 O1 58.8(8) . . . . ?
N5 Sm1 Sm3 O1 146.3(4) 2_675 . . . ?
C25 Sm1 Sm3 O1 -18.6(5) . . . . ?
C41 Sm1 Sm3 O1 129.2(3) 2_675 . . . ?
C42 Sm1 Sm3 O1 139.1(3) 2_675 . . . ?
I1 Sm1 Sm3 O1 44.9(3) . . . . ?
Sm2 Sm1 Sm3 O1 -99.0(3) . . . . ?
Sm3 Sm1 Sm3 O1 -166.5(3) 2_675 . . . ?
N6 Sm1 Sm3 N5 76.9(3) . . . . ?
N7 Sm1 Sm3 N5 -1.4(3) 2_675 . . . ?
N2 Sm1 Sm3 N5 86.1(3) . . . . ?
N1 Sm1 Sm3 N5 -165.7(8) . . . . ?
N5 Sm1 Sm3 N5 -78.2(3) 2_675 . . . ?
C25 Sm1 Sm3 N5 116.9(4) . . . . ?
C41 Sm1 Sm3 N5 -95.2(3) 2_675 . . . ?
C42 Sm1 Sm3 N5 -85.4(3) 2_675 . . . ?
I1 Sm1 Sm3 N5 -179.53(18) . . . . ?
Sm2 Sm1 Sm3 N5 36.52(18) . . . . ?
Sm3 Sm1 Sm3 N5 -30.98(18) 2_675 . . . ?
N6 Sm1 Sm3 C47 -16.8(3) . . . . ?
N7 Sm1 Sm3 C47 -95.1(3) 2_675 . . . ?
N2 Sm1 Sm3 C47 -7.7(3) . . . . ?
N1 Sm1 Sm3 C47 100.6(8) . . . . ?
N5 Sm1 Sm3 C47 -171.9(3) 2_675 . . . ?
C25 Sm1 Sm3 C47 23.2(5) . . . . ?
C41 Sm1 Sm3 C47 171.0(3) 2_675 . . . ?
C42 Sm1 Sm3 C47 -179.1(3) 2_675 . . . ?
I1 Sm1 Sm3 C47 86.8(2) . . . . ?
Sm2 Sm1 Sm3 C47 -57.2(2) . . . . ?
Sm3 Sm1 Sm3 C47 -124.7(2) 2_675 . . . ?
N6 Sm1 Sm3 C53 -176.1(4) . . . 2_675 ?
N7 Sm1 Sm3 C53 105.6(3) 2_675 . . 2_675 ?
N2 Sm1 Sm3 C53 -166.9(4) . . . 2_675 ?
N1 Sm1 Sm3 C53 -58.7(8) . . . 2_675 ?
N5 Sm1 Sm3 C53 28.8(4) 2_675 . . 2_675 ?
C25 Sm1 Sm3 C53 -136.1(5) . . . 2_675 ?
C41 Sm1 Sm3 C53 11.8(3) 2_675 . . 2_675 ?
C42 Sm1 Sm3 C53 21.6(3) 2_675 . . 2_675 ?
I1 Sm1 Sm3 C53 -72.5(3) . . . 2_675 ?
Sm2 Sm1 Sm3 C53 143.5(3) . . . 2_675 ?
Sm3 Sm1 Sm3 C53 76.0(3) 2_675 . . 2_675 ?
N6 Sm1 Sm3 I1 -103.6(3) . . . . ?
N7 Sm1 Sm3 I1 178.1(2) 2_675 . . . ?
N2 Sm1 Sm3 I1 -94.4(2) . . . . ?
N1 Sm1 Sm3 I1 13.8(8) . . . . ?
N5 Sm1 Sm3 I1 101.3(2) 2_675 . . . ?
C25 Sm1 Sm3 I1 -63.6(4) . . . . ?
C41 Sm1 Sm3 I1 84.3(2) 2_675 . . . ?
C42 Sm1 Sm3 I1 94.1(2) 2_675 . . . ?
Sm2 Sm1 Sm3 I1 -143.95(2) . . . . ?
Sm3 Sm1 Sm3 I1 148.55(3) 2_675 . . . ?
N6 Sm1 Sm3 Sm2 161.6(3) . . . 2_675 ?
N7 Sm1 Sm3 Sm2 83.36(19) 2_675 . . 2_675 ?
N2 Sm1 Sm3 Sm2 170.8(2) . . . 2_675 ?
N1 Sm1 Sm3 Sm2 -81.0(8) . . . 2_675 ?
N5 Sm1 Sm3 Sm2 6.5(2) 2_675 . . 2_675 ?
C25 Sm1 Sm3 Sm2 -158.3(4) . . . 2_675 ?
C41 Sm1 Sm3 Sm2 -10.5(2) 2_675 . . 2_675 ?
C42 Sm1 Sm3 Sm2 -0.7(2) 2_675 . . 2_675 ?
I1 Sm1 Sm3 Sm2 -94.78(2) . . . 2_675 ?
Sm2 Sm1 Sm3 Sm2 121.265(14) . . . 2_675 ?
Sm3 Sm1 Sm3 Sm2 53.763(14) 2_675 . . 2_675 ?
N6 Sm1 Sm3 Sm2 40.4(3) . . . . ?
N7 Sm1 Sm3 Sm2 -37.90(19) 2_675 . . . ?
N2 Sm1 Sm3 Sm2 49.5(2) . . . . ?
N1 Sm1 Sm3 Sm2 157.8(8) . . . . ?
N5 Sm1 Sm3 Sm2 -114.7(2) 2_675 . . . ?
C25 Sm1 Sm3 Sm2 80.4(4) . . . . ?
C41 Sm1 Sm3 Sm2 -131.8(2) 2_675 . . . ?
C42 Sm1 Sm3 Sm2 -121.9(2) 2_675 . . . ?
I1 Sm1 Sm3 Sm2 143.95(2) . . . . ?
Sm3 Sm1 Sm3 Sm2 -67.502(16) 2_675 . . . ?
N6 Sm1 Sm3 Sm1 107.9(3) . . . 2_675 ?
N7 Sm1 Sm3 Sm1 29.60(19) 2_675 . . 2_675 ?
N2 Sm1 Sm3 Sm1 117.0(2) . . . 2_675 ?
N1 Sm1 Sm3 Sm1 -134.7(8) . . . 2_675 ?
N5 Sm1 Sm3 Sm1 -47.2(2) 2_675 . . 2_675 ?
C25 Sm1 Sm3 Sm1 147.9(4) . . . 2_675 ?
C41 Sm1 Sm3 Sm1 -64.3(2) 2_675 . . 2_675 ?
C42 Sm1 Sm3 Sm1 -54.4(2) 2_675 . . 2_675 ?
I1 Sm1 Sm3 Sm1 -148.55(3) . . . 2_675 ?
Sm2 Sm1 Sm3 Sm1 67.502(17) . . . 2_675 ?
Sm3 Sm1 Sm3 Sm1 0.0 2_675 . . 2_675 ?
N6 Sm2 Sm3 N7 -169.9(4) . . . . ?
N7 Sm2 Sm3 N7 -84.2(3) 2_675 . . . ?
N3 Sm2 Sm3 N7 -165.1(3) . . . . ?
N4 Sm2 Sm3 N7 112.0(4) . . . . ?
N5 Sm2 Sm3 N7 0.2(3) . . . . ?
C34 Sm2 Sm3 N7 163.6(4) . . . . ?
C46 Sm2 Sm3 N7 33.8(3) . . . . ?
C53 Sm2 Sm3 N7 -76.7(3) . . . . ?
C41 Sm2 Sm3 N7 31.7(3) . . . . ?
C47 Sm2 Sm3 N7 156.0(3) . . . . ?
Sm1 Sm2 Sm3 N7 -121.8(2) . . . . ?
Sm3 Sm2 Sm3 N7 -46.3(2) 2_675 . . . ?
N6 Sm2 Sm3 N5 -90.8(4) . . . 2_675 ?
N7 Sm2 Sm3 N5 -5.1(3) 2_675 . . 2_675 ?
N3 Sm2 Sm3 N5 -86.0(3) . . . 2_675 ?
N4 Sm2 Sm3 N5 -168.9(4) . . . 2_675 ?
N5 Sm2 Sm3 N5 79.4(3) . . . 2_675 ?
C34 Sm2 Sm3 N5 -117.3(4) . . . 2_675 ?
C46 Sm2 Sm3 N5 113.0(3) . . . 2_675 ?
C53 Sm2 Sm3 N5 2.5(3) . . . 2_675 ?
C41 Sm2 Sm3 N5 110.8(3) . . . 2_675 ?
C47 Sm2 Sm3 N5 -124.9(3) . . . 2_675 ?
Sm1 Sm2 Sm3 N5 -42.67(18) . . . 2_675 ?
Sm3 Sm2 Sm3 N5 32.84(18) 2_675 . . 2_675 ?
N7 Sm2 Sm3 N6 85.7(4) 2_675 . . . ?
N3 Sm2 Sm3 N6 4.8(4) . . . . ?
N4 Sm2 Sm3 N6 -78.1(5) . . . . ?
N5 Sm2 Sm3 N6 170.2(4) . . . . ?
C34 Sm2 Sm3 N6 -26.5(5) . . . . ?
C46 Sm2 Sm3 N6 -156.2(4) . . . . ?
C53 Sm2 Sm3 N6 93.3(4) . . . . ?
C41 Sm2 Sm3 N6 -158.4(4) . . . . ?
C47 Sm2 Sm3 N6 -34.1(4) . . . . ?
Sm1 Sm2 Sm3 N6 48.1(3) . . . . ?
Sm3 Sm2 Sm3 N6 123.6(3) 2_675 . . . ?
N6 Sm2 Sm3 O1 80.7(4) . . . . ?
N7 Sm2 Sm3 O1 166.4(3) 2_675 . . . ?
N3 Sm2 Sm3 O1 85.5(3) . . . . ?
N4 Sm2 Sm3 O1 2.6(4) . . . . ?
N5 Sm2 Sm3 O1 -109.1(3) . . . . ?
C34 Sm2 Sm3 O1 54.2(4) . . . . ?
C46 Sm2 Sm3 O1 -75.5(3) . . . . ?
C53 Sm2 Sm3 O1 174.0(3) . . . . ?
C41 Sm2 Sm3 O1 -77.7(3) . . . . ?
C47 Sm2 Sm3 O1 46.6(3) . . . . ?
Sm1 Sm2 Sm3 O1 128.8(2) . . . . ?
Sm3 Sm2 Sm3 O1 -155.7(2) 2_675 . . . ?
N6 Sm2 Sm3 N5 -170.2(4) . . . . ?
N7 Sm2 Sm3 N5 -84.5(3) 2_675 . . . ?
N3 Sm2 Sm3 N5 -165.3(4) . . . . ?
N4 Sm2 Sm3 N5 111.7(4) . . . . ?
C34 Sm2 Sm3 N5 163.4(4) . . . . ?
C46 Sm2 Sm3 N5 33.6(3) . . . . ?
C53 Sm2 Sm3 N5 -76.9(3) . . . . ?
C41 Sm2 Sm3 N5 31.4(3) . . . . ?
C47 Sm2 Sm3 N5 155.7(3) . . . . ?
Sm1 Sm2 Sm3 N5 -122.1(2) . . . . ?
Sm3 Sm2 Sm3 N5 -46.5(2) 2_675 . . . ?
N6 Sm2 Sm3 C47 34.1(4) . . . . ?
N7 Sm2 Sm3 C47 119.8(3) 2_675 . . . ?
N3 Sm2 Sm3 C47 38.9(4) . . . . ?
N4 Sm2 Sm3 C47 -44.0(4) . . . . ?
N5 Sm2 Sm3 C47 -155.7(3) . . . . ?
C34 Sm2 Sm3 C47 7.6(5) . . . . ?
C46 Sm2 Sm3 C47 -122.1(3) . . . . ?
C53 Sm2 Sm3 C47 127.3(3) . . . . ?
C41 Sm2 Sm3 C47 -124.3(3) . . . . ?
Sm1 Sm2 Sm3 C47 82.2(2) . . . . ?
Sm3 Sm2 Sm3 C47 157.7(2) 2_675 . . . ?
N6 Sm2 Sm3 C53 178.1(5) . . . 2_675 ?
N7 Sm2 Sm3 C53 -96.2(4) 2_675 . . 2_675 ?
N3 Sm2 Sm3 C53 -177.1(4) . . . 2_675 ?
N4 Sm2 Sm3 C53 100.0(5) . . . 2_675 ?
N5 Sm2 Sm3 C53 -11.7(4) . . . 2_675 ?
C34 Sm2 Sm3 C53 151.7(5) . . . 2_675 ?
C46 Sm2 Sm3 C53 21.9(4) . . . 2_675 ?
C53 Sm2 Sm3 C53 -88.6(4) . . . 2_675 ?
C41 Sm2 Sm3 C53 19.7(4) . . . 2_675 ?
C47 Sm2 Sm3 C53 144.0(4) . . . 2_675 ?
Sm1 Sm2 Sm3 C53 -133.8(3) . . . 2_675 ?
Sm3 Sm2 Sm3 C53 -58.2(3) 2_675 . . 2_675 ?
N6 Sm2 Sm3 I1 -16.5(3) . . . . ?
N7 Sm2 Sm3 I1 69.25(18) 2_675 . . . ?
N3 Sm2 Sm3 I1 -11.6(3) . . . . ?
N4 Sm2 Sm3 I1 -94.6(3) . . . . ?
N5 Sm2 Sm3 I1 153.7(2) . . . . ?
C34 Sm2 Sm3 I1 -42.9(4) . . . . ?
C46 Sm2 Sm3 I1 -172.7(2) . . . . ?
C53 Sm2 Sm3 I1 76.8(2) . . . . ?
C41 Sm2 Sm3 I1 -174.9(2) . . . . ?
C47 Sm2 Sm3 I1 -50.6(2) . . . . ?
Sm1 Sm2 Sm3 I1 31.65(2) . . . . ?
Sm3 Sm2 Sm3 I1 107.16(3) 2_675 . . . ?
N6 Sm2 Sm3 Sm1 -48.1(3) . . . . ?
N7 Sm2 Sm3 Sm1 37.60(18) 2_675 . . . ?
N3 Sm2 Sm3 Sm1 -43.3(3) . . . . ?
N4 Sm2 Sm3 Sm1 -126.2(3) . . . . ?
N5 Sm2 Sm3 Sm1 122.1(2) . . . . ?
C34 Sm2 Sm3 Sm1 -74.6(4) . . . . ?
C46 Sm2 Sm3 Sm1 155.6(2) . . . . ?
C53 Sm2 Sm3 Sm1 45.1(2) . . . . ?
C41 Sm2 Sm3 Sm1 153.5(2) . . . . ?
C47 Sm2 Sm3 Sm1 -82.2(2) . . . . ?
Sm3 Sm2 Sm3 Sm1 75.518(18) 2_675 . . . ?
N6 Sm2 Sm3 Sm2 -123.6(3) . . . 2_675 ?
N7 Sm2 Sm3 Sm2 -37.92(18) 2_675 . . 2_675 ?
N3 Sm2 Sm3 Sm2 -118.8(3) . . . 2_675 ?
N4 Sm2 Sm3 Sm2 158.2(3) . . . 2_675 ?
N5 Sm2 Sm3 Sm2 46.5(2) . . . 2_675 ?
C34 Sm2 Sm3 Sm2 -150.1(4) . . . 2_675 ?
C46 Sm2 Sm3 Sm2 80.1(2) . . . 2_675 ?
C53 Sm2 Sm3 Sm2 -30.4(2) . . . 2_675 ?
C41 Sm2 Sm3 Sm2 77.9(2) . . . 2_675 ?
C47 Sm2 Sm3 Sm2 -157.7(2) . . . 2_675 ?
Sm1 Sm2 Sm3 Sm2 -75.518(18) . . . 2_675 ?
Sm3 Sm2 Sm3 Sm2 0.0 2_675 . . 2_675 ?
N6 Sm2 Sm3 Sm1 -173.1(3) . . . 2_675 ?
N7 Sm2 Sm3 Sm1 -87.41(18) 2_675 . . 2_675 ?
N3 Sm2 Sm3 Sm1 -168.3(3) . . . 2_675 ?
N4 Sm2 Sm3 Sm1 108.8(3) . . . 2_675 ?
N5 Sm2 Sm3 Sm1 -3.0(2) . . . 2_675 ?
C34 Sm2 Sm3 Sm1 160.4(4) . . . 2_675 ?
C46 Sm2 Sm3 Sm1 30.6(2) . . . 2_675 ?
C53 Sm2 Sm3 Sm1 -79.9(2) . . . 2_675 ?
C41 Sm2 Sm3 Sm1 28.5(2) . . . 2_675 ?
C47 Sm2 Sm3 Sm1 152.8(2) . . . 2_675 ?
Sm1 Sm2 Sm3 Sm1 -125.008(14) . . . 2_675 ?
Sm3 Sm2 Sm3 Sm1 -49.490(13) 2_675 . . 2_675 ?
N7 Sm3 I1 Sm1 122.2(2) . . . . ?
N5 Sm3 I1 Sm1 48.40(19) 2_675 . . . ?
N6 Sm3 I1 Sm1 -40.9(2) . . . . ?
O1 Sm3 I1 Sm1 -150.71(18) . . . . ?
N5 Sm3 I1 Sm1 0.8(3) . . . . ?
C47 Sm3 I1 Sm1 -69.14(19) . . . . ?
C53 Sm3 I1 Sm1 140.79(18) 2_675 . . . ?
Sm2 Sm3 I1 Sm1 90.865(19) 2_675 . . . ?
Sm2 Sm3 I1 Sm1 -31.316(19) . . . . ?
Sm1 Sm3 I1 Sm1 89.74(4) 2_675 . . . ?
N6 Sm1 I1 Sm3 42.6(2) . . . . ?
N7 Sm1 I1 Sm3 -3.0(3) 2_675 . . . ?
N2 Sm1 I1 Sm3 123.6(2) . . . . ?
N1 Sm1 I1 Sm3 -176.4(2) . . . . ?
N5 Sm1 I1 Sm3 -43.72(18) 2_675 . . . ?
C25 Sm1 I1 Sm3 153.4(2) . . . . ?
C41 Sm1 I1 Sm3 -73.90(18) 2_675 . . . ?
C42 Sm1 I1 Sm3 -90.60(19) 2_675 . . . ?
Sm2 Sm1 I1 Sm3 35.02(2) . . . . ?
Sm3 Sm1 I1 Sm3 -29.98(2) 2_675 . . . ?
N6 Sm1 N1 C25 -3.5(8) . . . . ?
N7 Sm1 N1 C25 92.2(6) 2_675 . . . ?
N2 Sm1 N1 C25 14.1(5) . . . . ?
N5 Sm1 N1 C25 -176.8(5) 2_675 . . . ?
C41 Sm1 N1 C25 -170.0(6) 2_675 . . . ?
C42 Sm1 N1 C25 174.3(6) 2_675 . . . ?
I1 Sm1 N1 C25 -92.1(6) . . . . ?
Sm2 Sm1 N1 C25 49.8(7) . . . . ?
Sm3 Sm1 N1 C25 -104.3(8) . . . . ?
Sm3 Sm1 N1 C25 127.9(5) 2_675 . . . ?
N6 Sm1 N1 C1 145.4(10) . . . . ?
N7 Sm1 N1 C1 -118.9(11) 2_675 . . . ?
N2 Sm1 N1 C1 163.0(12) . . . . ?
N5 Sm1 N1 C1 -27.9(12) 2_675 . . . ?
C25 Sm1 N1 C1 148.9(14) . . . . ?
C41 Sm1 N1 C1 -21.1(11) 2_675 . . . ?
C42 Sm1 N1 C1 -36.8(11) 2_675 . . . ?
I1 Sm1 N1 C1 56.9(11) . . . . ?
Sm2 Sm1 N1 C1 -161.3(10) . . . . ?
Sm3 Sm1 N1 C1 44.6(16) . . . . ?
Sm3 Sm1 N1 C1 -83.2(11) 2_675 . . . ?
N3 Si1 N2 C25 157.9(9) . . . . ?
C32 Si1 N2 C25 -85.2(10) . . . . ?
C33 Si1 N2 C25 32.7(10) . . . . ?
N3 Si1 N2 Sm1 -4.2(8) . . . . ?
C32 Si1 N2 Sm1 112.7(7) . . . . ?
C33 Si1 N2 Sm1 -129.4(7) . . . . ?
N6 Sm1 N2 C25 155.3(6) . . . . ?
N7 Sm1 N2 C25 -125.8(6) 2_675 . . . ?
N1 Sm1 N2 C25 -14.1(6) . . . . ?
N5 Sm1 N2 C25 -159.8(10) 2_675 . . . ?
C41 Sm1 N2 C25 -26.9(12) 2_675 . . . ?
C42 Sm1 N2 C25 -43.1(7) 2_675 . . . ?
I1 Sm1 N2 C25 83.5(6) . . . . ?
Sm2 Sm1 N2 C25 -166.5(6) . . . . ?
Sm3 Sm1 N2 C25 149.2(5) . . . . ?
Sm3 Sm1 N2 C25 -127.7(5) 2_675 . . . ?
N6 Sm1 N2 Si1 -38.7(7) . . . . ?
N7 Sm1 N2 Si1 40.2(7) 2_675 . . . ?
N1 Sm1 N2 Si1 151.8(8) . . . . ?
N5 Sm1 N2 Si1 6.1(16) 2_675 . . . ?
C25 Sm1 N2 Si1 165.9(11) . . . . ?
C41 Sm1 N2 Si1 139.0(8) 2_675 . . . ?
C42 Sm1 N2 Si1 122.9(6) 2_675 . . . ?
I1 Sm1 N2 Si1 -110.6(6) . . . . ?
Sm2 Sm1 N2 Si1 -0.6(6) . . . . ?
Sm3 Sm1 N2 Si1 -44.8(8) . . . . ?
Sm3 Sm1 N2 Si1 38.2(8) 2_675 . . . ?
N2 Si1 N3 C34 178.9(9) . . . . ?
C32 Si1 N3 C34 54.3(10) . . . . ?
C33 Si1 N3 C34 -64.1(11) . . . . ?
N2 Si1 N3 Sm2 10.7(7) . . . . ?
C32 Si1 N3 Sm2 -113.9(7) . . . . ?
C33 Si1 N3 Sm2 127.7(6) . . . . ?
N6 Sm2 N3 C34 -141.9(6) . . . . ?
N7 Sm2 N3 C34 138.8(6) 2_675 . . . ?
N4 Sm2 N3 C34 -9.2(6) . . . . ?
N5 Sm2 N3 C34 169.9(9) . . . . ?
C46 Sm2 N3 C34 4.9(8) . . . . ?
C53 Sm2 N3 C34 112.2(6) . . . . ?
C41 Sm2 N3 C34 -31.8(13) . . . . ?
C47 Sm2 N3 C34 -115.3(6) . . . . ?
Sm1 Sm2 N3 C34 179.2(6) . . . . ?
Sm3 Sm2 N3 C34 132.6(5) 2_675 . . . ?
N6 Sm2 N3 Si1 29.1(7) . . . . ?
N7 Sm2 N3 Si1 -50.2(6) 2_675 . . . ?
N4 Sm2 N3 Si1 161.8(8) . . . . ?
N5 Sm2 N3 Si1 -19.1(16) . . . . ?
C34 Sm2 N3 Si1 171.0(11) . . . . ?
C46 Sm2 N3 Si1 175.9(5) . . . . ?
C53 Sm2 N3 Si1 -76.8(6) . . . . ?
C41 Sm2 N3 Si1 139.2(9) . . . . ?
C47 Sm2 N3 Si1 55.7(6) . . . . ?
Sm1 Sm2 N3 Si1 -9.8(6) . . . . ?
Sm3 Sm2 N3 Si1 -56.4(7) 2_675 . . . ?
N6 Sm2 N4 C34 73.5(7) . . . . ?
N7 Sm2 N4 C34 -38.1(7) 2_675 . . . ?
N3 Sm2 N4 C34 9.2(6) . . . . ?
N5 Sm2 N4 C34 -170.5(5) . . . . ?
C46 Sm2 N4 C34 -161.8(6) . . . . ?
C53 Sm2 N4 C34 -51.8(6) . . . . ?
C41 Sm2 N4 C34 -177.1(6) . . . . ?
C47 Sm2 N4 C34 86.0(6) . . . . ?
Sm1 Sm2 N4 C34 21.2(7) . . . . ?
Sm3 Sm2 N4 C34 -100.2(6) 2_675 . . . ?
N6 Sm2 N4 C13 -128.0(9) . . . . ?
N7 Sm2 N4 C13 120.4(9) 2_675 . . . ?
N3 Sm2 N4 C13 167.7(11) . . . . ?
N5 Sm2 N4 C13 -12.0(12) . . . . ?
C34 Sm2 N4 C13 158.5(13) . . . . ?
C46 Sm2 N4 C13 -3.3(10) . . . . ?
C53 Sm2 N4 C13 106.7(10) . . . . ?
C41 Sm2 N4 C13 -18.6(10) . . . . ?
C47 Sm2 N4 C13 -115.5(10) . . . . ?
Sm1 Sm2 N4 C13 179.7(8) . . . . ?
Sm3 Sm2 N4 C13 58.3(11) 2_675 . . . ?
N7 Sm3 N5 C41 92.7(6) . . . . ?
N5 Sm3 N5 C41 178.9(8) 2_675 . . . ?
N6 Sm3 N5 C41 -93.1(6) . . . . ?
O1 Sm3 N5 C41 11.5(7) . . . . ?
C47 Sm3 N5 C41 -69.2(6) . . . . ?
C53 Sm3 N5 C41 86.1(6) 2_675 . . . ?
I1 Sm3 N5 C41 -134.0(5) . . . . ?
Sm1 Sm3 N5 C41 -133.3(6) . . . . ?
Sm2 Sm3 N5 C41 132.4(6) 2_675 . . . ?
Sm2 Sm3 N5 C41 -87.5(6) . . . . ?
Sm1 Sm3 N5 C41 88.2(6) 2_675 . . . ?
N7 Sm3 N5 Sm3 -86.2(3) . . . 2_675 ?
N5 Sm3 N5 Sm3 0.0 2_675 . . 2_675 ?
N6 Sm3 N5 Sm3 88.0(3) . . . 2_675 ?
O1 Sm3 N5 Sm3 -167.4(2) . . . 2_675 ?
C47 Sm3 N5 Sm3 111.9(3) . . . 2_675 ?
C53 Sm3 N5 Sm3 -92.7(3) 2_675 . . 2_675 ?
I1 Sm3 N5 Sm3 47.2(4) . . . 2_675 ?
Sm1 Sm3 N5 Sm3 47.9(2) . . . 2_675 ?
Sm2 Sm3 N5 Sm3 -46.5(2) 2_675 . . 2_675 ?
Sm2 Sm3 N5 Sm3 93.6(3) . . . 2_675 ?
Sm1 Sm3 N5 Sm3 -90.7(3) 2_675 . . 2_675 ?
N7 Sm3 N5 Sm1 4.5(2) . . . 2_675 ?
N5 Sm3 N5 Sm1 90.7(3) 2_675 . . 2_675 ?
N6 Sm3 N5 Sm1 178.7(3) . . . 2_675 ?
O1 Sm3 N5 Sm1 -76.8(3) . . . 2_675 ?
C47 Sm3 N5 Sm1 -157.4(3) . . . 2_675 ?
C53 Sm3 N5 Sm1 -2.1(3) 2_675 . . 2_675 ?
I1 Sm3 N5 Sm1 137.84(16) . . . 2_675 ?
Sm1 Sm3 N5 Sm1 138.53(19) . . . 2_675 ?
Sm2 Sm3 N5 Sm1 44.20(17) 2_675 . . 2_675 ?
Sm2 Sm3 N5 Sm1 -175.7(4) . . . 2_675 ?
N7 Sm3 N5 Sm2 -179.8(3) . . . . ?
N5 Sm3 N5 Sm2 -93.6(3) 2_675 . . . ?
N6 Sm3 N5 Sm2 -5.6(2) . . . . ?
O1 Sm3 N5 Sm2 99.0(3) . . . . ?
C47 Sm3 N5 Sm2 18.3(3) . . . . ?
C53 Sm3 N5 Sm2 173.6(2) 2_675 . . . ?
I1 Sm3 N5 Sm2 -46.4(4) . . . . ?
Sm1 Sm3 N5 Sm2 -45.76(17) . . . . ?
Sm2 Sm3 N5 Sm2 -140.09(19) 2_675 . . . ?
Sm1 Sm3 N5 Sm2 175.7(4) 2_675 . . . ?
N6 Sm2 N5 C41 118.7(6) . . . . ?
N7 Sm2 N5 C41 -160.1(5) 2_675 . . . ?
N3 Sm2 N5 C41 168.1(10) . . . . ?
N4 Sm2 N5 C41 -13.0(7) . . . . ?
C34 Sm2 N5 C41 -30.9(13) . . . . ?
C46 Sm2 N5 C41 -23.8(5) . . . . ?
C53 Sm2 N5 C41 -135.8(5) . . . . ?
C47 Sm2 N5 C41 94.0(5) . . . . ?
Sm1 Sm2 N5 C41 158.9(5) . . . . ?
Sm3 Sm2 N5 C41 -145.6(6) 2_675 . . . ?
N6 Sm2 N5 Sm3 -95.7(3) . . . 2_675 ?
N7 Sm2 N5 Sm3 -14.5(2) 2_675 . . 2_675 ?
N3 Sm2 N5 Sm3 -46.3(11) . . . 2_675 ?
N4 Sm2 N5 Sm3 132.6(3) . . . 2_675 ?
C34 Sm2 N5 Sm3 114.7(10) . . . 2_675 ?
C46 Sm2 N5 Sm3 121.8(4) . . . 2_675 ?
C53 Sm2 N5 Sm3 9.7(3) . . . 2_675 ?
C41 Sm2 N5 Sm3 145.6(6) . . . 2_675 ?
C47 Sm2 N5 Sm3 -120.4(3) . . . 2_675 ?
Sm1 Sm2 N5 Sm3 -55.49(18) . . . 2_675 ?
N6 Sm2 N5 Sm3 6.0(3) . . . . ?
N7 Sm2 N5 Sm3 87.2(3) 2_675 . . . ?
N3 Sm2 N5 Sm3 55.4(11) . . . . ?
N4 Sm2 N5 Sm3 -125.7(3) . . . . ?
C34 Sm2 N5 Sm3 -143.7(9) . . . . ?
C46 Sm2 N5 Sm3 -136.5(4) . . . . ?
C53 Sm2 N5 Sm3 111.4(3) . . . . ?
C41 Sm2 N5 Sm3 -112.7(6) . . . . ?
C47 Sm2 N5 Sm3 -18.8(3) . . . . ?
Sm1 Sm2 N5 Sm3 46.18(17) . . . . ?
Sm3 Sm2 N5 Sm3 101.7(3) 2_675 . . . ?
N6 Sm2 N5 Sm1 159(2) . . . 2_675 ?
N7 Sm2 N5 Sm1 -120(2) 2_675 . . 2_675 ?
N3 Sm2 N5 Sm1 -151.8(17) . . . 2_675 ?
N4 Sm2 N5 Sm1 27(2) . . . 2_675 ?
C34 Sm2 N5 Sm1 9(3) . . . 2_675 ?
C46 Sm2 N5 Sm1 16.3(19) . . . 2_675 ?
C53 Sm2 N5 Sm1 -96(2) . . . 2_675 ?
C41 Sm2 N5 Sm1 40.0(18) . . . 2_675 ?
C47 Sm2 N5 Sm1 134(2) . . . 2_675 ?
Sm1 Sm2 N5 Sm1 -161(2) . . . 2_675 ?
Sm3 Sm2 N5 Sm1 -106(2) 2_675 . . 2_675 ?
N7 Sm2 N6 C47 164.4(6) 2_675 . . . ?
N3 Sm2 N6 C47 75.4(6) . . . . ?
N4 Sm2 N6 C47 27.5(7) . . . . ?
N5 Sm2 N6 C47 -115.0(6) . . . . ?
C34 Sm2 N6 C47 57.0(6) . . . . ?
C46 Sm2 N6 C47 -80.5(6) . . . . ?
C53 Sm2 N6 C47 153.4(6) . . . . ?
C41 Sm2 N6 C47 -90.0(6) . . . . ?
Sm1 Sm2 N6 C47 149.7(7) . . . . ?
Sm3 Sm2 N6 C47 -155.7(6) 2_675 . . . ?
N7 Sm2 N6 Sm1 14.8(3) 2_675 . . . ?
N3 Sm2 N6 Sm1 -74.2(3) . . . . ?
N4 Sm2 N6 Sm1 -122.1(3) . . . . ?
N5 Sm2 N6 Sm1 95.3(3) . . . . ?
C34 Sm2 N6 Sm1 -92.7(3) . . . . ?
C46 Sm2 N6 Sm1 129.9(3) . . . . ?
C53 Sm2 N6 Sm1 3.7(3) . . . . ?
C41 Sm2 N6 Sm1 120.3(3) . . . . ?
C47 Sm2 N6 Sm1 -149.7(7) . . . . ?
Sm3 Sm2 N6 Sm1 54.6(2) 2_675 . . . ?
N7 Sm2 N6 Sm3 -87.2(3) 2_675 . . . ?
N3 Sm2 N6 Sm3 -176.2(3) . . . . ?
N4 Sm2 N6 Sm3 135.8(3) . . . . ?
N5 Sm2 N6 Sm3 -6.7(3) . . . . ?
C34 Sm2 N6 Sm3 165.3(3) . . . . ?
C46 Sm2 N6 Sm3 27.8(5) . . . . ?
C53 Sm2 N6 Sm3 -98.3(3) . . . . ?
C41 Sm2 N6 Sm3 18.3(3) . . . . ?
C47 Sm2 N6 Sm3 108.3(7) . . . . ?
Sm1 Sm2 N6 Sm3 -102.0(4) . . . . ?
Sm3 Sm2 N6 Sm3 -47.4(3) 2_675 . . . ?
N7 Sm1 N6 C47 -145.2(10) 2_675 . . . ?
N2 Sm1 N6 C47 -54.0(10) . . . . ?
N1 Sm1 N6 C47 -39.6(12) . . . . ?
N5 Sm1 N6 C47 135.6(10) 2_675 . . . ?
C25 Sm1 N6 C47 -41.4(10) . . . . ?
C41 Sm1 N6 C47 126.7(10) 2_675 . . . ?
C42 Sm1 N6 C47 143.4(9) 2_675 . . . ?
I1 Sm1 N6 C47 61.1(9) . . . . ?
Sm2 Sm1 N6 C47 -130.1(11) . . . . ?
Sm3 Sm1 N6 C47 119.0(11) . . . . ?
Sm3 Sm1 N6 C47 177.7(10) 2_675 . . . ?
N7 Sm1 N6 Sm2 -15.1(3) 2_675 . . . ?
N2 Sm1 N6 Sm2 76.1(3) . . . . ?
N1 Sm1 N6 Sm2 90.5(5) . . . . ?
N5 Sm1 N6 Sm2 -94.3(3) 2_675 . . . ?
C25 Sm1 N6 Sm2 88.7(3) . . . . ?
C41 Sm1 N6 Sm2 -103.2(3) 2_675 . . . ?
C42 Sm1 N6 Sm2 -86.5(4) 2_675 . . . ?
I1 Sm1 N6 Sm2 -168.8(3) . . . . ?
Sm3 Sm1 N6 Sm2 -110.9(4) . . . . ?
Sm3 Sm1 N6 Sm2 -52.2(2) 2_675 . . . ?
N7 Sm1 N6 Sm3 95.8(3) 2_675 . . . ?
N2 Sm1 N6 Sm3 -173.0(3) . . . . ?
N1 Sm1 N6 Sm3 -158.6(3) . . . . ?
N5 Sm1 N6 Sm3 16.6(2) 2_675 . . . ?
C25 Sm1 N6 Sm3 -160.4(3) . . . . ?
C41 Sm1 N6 Sm3 7.7(3) 2_675 . . . ?
C42 Sm1 N6 Sm3 24.5(5) 2_675 . . . ?
I1 Sm1 N6 Sm3 -57.87(19) . . . . ?
Sm2 Sm1 N6 Sm3 110.9(4) . . . . ?
Sm3 Sm1 N6 Sm3 58.7(2) 2_675 . . . ?
N7 Sm3 N6 C47 132.0(7) . . . . ?
N5 Sm3 N6 C47 -163.5(6) 2_675 . . . ?
O1 Sm3 N6 C47 -3.8(6) . . . . ?
N5 Sm3 N6 C47 117.4(6) . . . . ?
C53 Sm3 N6 C47 -46(6) 2_675 . . . ?
I1 Sm3 N6 C47 -86.0(5) . . . . ?
Sm1 Sm3 N6 C47 -145.2(7) . . . . ?
Sm2 Sm3 N6 C47 -170.1(5) 2_675 . . . ?
Sm2 Sm3 N6 C47 110.4(7) . . . . ?
Sm1 Sm3 N6 C47 118.5(5) 2_675 . . . ?
N7 Sm3 N6 Sm2 21.6(8) . . . . ?
N5 Sm3 N6 Sm2 86.2(3) 2_675 . . . ?
O1 Sm3 N6 Sm2 -114.1(3) . . . . ?
N5 Sm3 N6 Sm2 7.0(3) . . . . ?
C47 Sm3 N6 Sm2 -110.4(7) . . . . ?
C53 Sm3 N6 Sm2 -157(6) 2_675 . . . ?
I1 Sm3 N6 Sm2 163.7(3) . . . . ?
Sm1 Sm3 N6 Sm2 104.4(4) . . . . ?
Sm2 Sm3 N6 Sm2 79.5(4) 2_675 . . . ?
Sm1 Sm3 N6 Sm2 8.1(4) 2_675 . . . ?
N7 Sm3 N6 Sm1 -82.8(7) . . . . ?
N5 Sm3 N6 Sm1 -18.3(3) 2_675 . . . ?
O1 Sm3 N6 Sm1 141.5(3) . . . . ?
N5 Sm3 N6 Sm1 -97.4(3) . . . . ?
C47 Sm3 N6 Sm1 145.2(7) . . . . ?
C53 Sm3 N6 Sm1 99(6) 2_675 . . . ?
I1 Sm3 N6 Sm1 59.24(19) . . . . ?
Sm2 Sm3 N6 Sm1 -24.9(4) 2_675 . . . ?
Sm2 Sm3 N6 Sm1 -104.4(4) . . . . ?
Sm1 Sm3 N6 Sm1 -96.3(2) 2_675 . . . ?
N5 Sm3 N7 C53 115.3(6) 2_675 . . 2_675 ?
N6 Sm3 N7 C53 -179.8(6) . . . 2_675 ?
O1 Sm3 N7 C53 -41.3(6) . . . 2_675 ?
N5 Sm3 N7 C53 -165.2(6) . . . 2_675 ?
C47 Sm3 N7 C53 -101.8(9) . . . 2_675 ?
I1 Sm3 N7 C53 45.3(6) . . . 2_675 ?
Sm1 Sm3 N7 C53 120.5(5) . . . 2_675 ?
Sm2 Sm3 N7 C53 99.2(6) 2_675 . . 2_675 ?
Sm2 Sm3 N7 C53 -165.4(5) . . . 2_675 ?
Sm1 Sm3 N7 C53 -159.9(8) 2_675 . . 2_675 ?
N5 Sm3 N7 Sm1 -84.8(3) 2_675 . . 2_675 ?
N6 Sm3 N7 Sm1 -19.9(8) . . . 2_675 ?
O1 Sm3 N7 Sm1 118.6(3) . . . 2_675 ?
N5 Sm3 N7 Sm1 -5.3(3) . . . 2_675 ?
C47 Sm3 N7 Sm1 58.1(8) . . . 2_675 ?
C53 Sm3 N7 Sm1 159.9(8) 2_675 . . 2_675 ?
I1 Sm3 N7 Sm1 -154.81(16) . . . 2_675 ?
Sm1 Sm3 N7 Sm1 -79.6(3) . . . 2_675 ?
Sm2 Sm3 N7 Sm1 -100.9(4) 2_675 . . 2_675 ?
Sm2 Sm3 N7 Sm1 -5.5(4) . . . 2_675 ?
N5 Sm3 N7 Sm2 16.2(3) 2_675 . . 2_675 ?
N6 Sm3 N7 Sm2 81.0(7) . . . 2_675 ?
O1 Sm3 N7 Sm2 -140.5(3) . . . 2_675 ?
N5 Sm3 N7 Sm2 95.6(3) . . . 2_675 ?
C47 Sm3 N7 Sm2 159.1(6) . . . 2_675 ?
C53 Sm3 N7 Sm2 -99.2(6) 2_675 . . 2_675 ?
I1 Sm3 N7 Sm2 -53.9(3) . . . 2_675 ?
Sm1 Sm3 N7 Sm2 21.3(4) . . . 2_675 ?
Sm2 Sm3 N7 Sm2 95.4(2) . . . 2_675 ?
Sm1 Sm3 N7 Sm2 100.9(4) 2_675 . . 2_675 ?
N7 Sm3 O1 C62 -46.0(8) . . . . ?
N5 Sm3 O1 C62 -118.8(9) 2_675 . . . ?
N6 Sm3 O1 C62 118.0(8) . . . . ?
N5 Sm3 O1 C62 30.0(9) . . . . ?
C47 Sm3 O1 C62 116.2(8) . . . . ?
C53 Sm3 O1 C62 -63.9(8) 2_675 . . . ?
I1 Sm3 O1 C62 -169.4(8) . . . . ?
Sm1 Sm3 O1 C62 153.7(7) . . . . ?
Sm2 Sm3 O1 C62 -73.6(8) 2_675 . . . ?
Sm2 Sm3 O1 C62 82.1(8) . . . . ?
Sm1 Sm3 O1 C62 -14.0(8) 2_675 . . . ?
N7 Sm3 O1 C59 135.0(12) . . . . ?
N5 Sm3 O1 C59 62.1(14) 2_675 . . . ?
N6 Sm3 O1 C59 -61.0(12) . . . . ?
N5 Sm3 O1 C59 -149.0(12) . . . . ?
C47 Sm3 O1 C59 -62.8(12) . . . . ?
C53 Sm3 O1 C59 117.1(12) 2_675 . . . ?
I1 Sm3 O1 C59 11.6(12) . . . . ?
Sm1 Sm3 O1 C59 -25.4(13) . . . . ?
Sm2 Sm3 O1 C59 107.4(12) 2_675 . . . ?
Sm2 Sm3 O1 C59 -97.0(12) . . . . ?
Sm1 Sm3 O1 C59 167.0(12) 2_675 . . . ?
C25 N1 C1 C6 75.6(13) . . . . ?
Sm1 N1 C1 C6 -67.0(15) . . . . ?
C25 N1 C1 C2 -112.1(11) . . . . ?
Sm1 N1 C1 C2 105.3(12) . . . . ?
C6 C1 C2 C3 -7.1(16) . . . . ?
N1 C1 C2 C3 -179.6(10) . . . . ?
C6 C1 C2 C7 172.6(10) . . . . ?
N1 C1 C2 C7 0.1(15) . . . . ?
C1 C2 C3 C4 -0.1(19) . . . . ?
C7 C2 C3 C4 -179.8(12) . . . . ?
C2 C3 C4 C5 6(2) . . . . ?
C3 C4 C5 C6 -5(2) . . . . ?
C4 C5 C6 C1 -2.4(18) . . . . ?
C4 C5 C6 C10 176.3(11) . . . . ?
C2 C1 C6 C5 8.3(15) . . . . ?
N1 C1 C6 C5 -179.8(10) . . . . ?
C2 C1 C6 C10 -170.4(10) . . . . ?
N1 C1 C6 C10 1.6(16) . . . . ?
C3 C2 C7 C8 30.4(17) . . . . ?
C1 C2 C7 C8 -149.3(11) . . . . ?
C3 C2 C7 C9 -93.3(14) . . . . ?
C1 C2 C7 C9 87.0(13) . . . . ?
C5 C6 C10 C12 -66.2(13) . . . . ?
C1 C6 C10 C12 112.4(11) . . . . ?
C5 C6 C10 C11 57.3(14) . . . . ?
C1 C6 C10 C11 -124.1(11) . . . . ?
C34 N4 C13 C14 71.4(14) . . . . ?
Sm2 N4 C13 C14 -81.9(13) . . . . ?
C34 N4 C13 C18 -115.4(11) . . . . ?
Sm2 N4 C13 C18 91.3(12) . . . . ?
C18 C13 C14 C15 2.5(16) . . . . ?
N4 C13 C14 C15 175.3(9) . . . . ?
C18 C13 C14 C19 -174.5(10) . . . . ?
N4 C13 C14 C19 -1.7(16) . . . . ?
C13 C14 C15 C16 -0.6(18) . . . . ?
C19 C14 C15 C16 176.6(11) . . . . ?
C14 C15 C16 C17 -2(2) . . . . ?
C15 C16 C17 C18 3(2) . . . . ?
C16 C17 C18 C13 -1.4(17) . . . . ?
C16 C17 C18 C22 -178.3(12) . . . . ?
C14 C13 C18 C17 -1.6(15) . . . . ?
N4 C13 C18 C17 -174.8(9) . . . . ?
C14 C13 C18 C22 175.2(11) . . . . ?
N4 C13 C18 C22 2.0(15) . . . . ?
C13 C14 C19 C21 -121.6(11) . . . . ?
C15 C14 C19 C21 61.4(14) . . . . ?
C13 C14 C19 C20 117.4(12) . . . . ?
C15 C14 C19 C20 -59.5(14) . . . . ?
C17 C18 C22 C24 20.2(18) . . . . ?
C13 C18 C22 C24 -156.6(13) . . . . ?
C17 C18 C22 C23 -107.2(13) . . . . ?
C13 C18 C22 C23 76.0(15) . . . . ?
Si1 N2 C25 N1 -144.3(8) . . . . ?
Sm1 N2 C25 N1 23.7(9) . . . . ?
Si1 N2 C25 C26 38.7(15) . . . . ?
Sm1 N2 C25 C26 -153.3(10) . . . . ?
Si1 N2 C25 Sm1 -168.1(9) . . . . ?
C1 N1 C25 N2 179.3(9) . . . . ?
Sm1 N1 C25 N2 -23.3(9) . . . . ?
C1 N1 C25 C26 -3.7(16) . . . . ?
Sm1 N1 C25 C26 153.7(10) . . . . ?
C1 N1 C25 Sm1 -157.4(10) . . . . ?
N6 Sm1 C25 N2 -27.2(7) . . . . ?
N7 Sm1 C25 N2 58.0(6) 2_675 . . . ?
N1 Sm1 C25 N2 155.1(10) . . . . ?
N5 Sm1 C25 N2 163.2(8) 2_675 . . . ?
C41 Sm1 C25 N2 168.7(5) 2_675 . . . ?
C42 Sm1 C25 N2 148.9(6) 2_675 . . . ?
I1 Sm1 C25 N2 -107.2(6) . . . . ?
Sm2 Sm1 C25 N2 13.9(6) . . . . ?
Sm3 Sm1 C25 N2 -55.3(8) . . . . ?
Sm3 Sm1 C25 N2 77.7(7) 2_675 . . . ?
N6 Sm1 C25 N1 177.7(5) . . . . ?
N7 Sm1 C25 N1 -97.1(6) 2_675 . . . ?
N2 Sm1 C25 N1 -155.1(10) . . . . ?
N5 Sm1 C25 N1 8.1(13) 2_675 . . . ?
C41 Sm1 C25 N1 13.6(8) 2_675 . . . ?
C42 Sm1 C25 N1 -6.2(7) 2_675 . . . ?
I1 Sm1 C25 N1 97.6(6) . . . . ?
Sm2 Sm1 C25 N1 -141.2(5) . . . . ?
Sm3 Sm1 C25 N1 149.5(5) . . . . ?
Sm3 Sm1 C25 N1 -77.5(6) 2_675 . . . ?
N6 Sm1 C25 C26 73(2) . . . . ?
N7 Sm1 C25 C26 158.0(19) 2_675 . . . ?
N2 Sm1 C25 C26 100(2) . . . . ?
N1 Sm1 C25 C26 -105(2) . . . . ?
N5 Sm1 C25 C26 -97(2) 2_675 . . . ?
C41 Sm1 C25 C26 -91(2) 2_675 . . . ?
C42 Sm1 C25 C26 -111(2) 2_675 . . . ?
I1 Sm1 C25 C26 -7(2) . . . . ?
Sm2 Sm1 C25 C26 113.9(19) . . . . ?
Sm3 Sm1 C25 C26 45(2) . . . . ?
Sm3 Sm1 C25 C26 177.6(18) 2_675 . . . ?
N2 C25 C26 C27 -134.6(12) . . . . ?
N1 C25 C26 C27 48.7(18) . . . . ?
Sm1 C25 C26 C27 139.8(18) . . . . ?
N2 C25 C26 C31 47.3(15) . . . . ?
N1 C25 C26 C31 -129.5(11) . . . . ?
Sm1 C25 C26 C31 -38(2) . . . . ?
C31 C26 C27 C28 -0.2(18) . . . . ?
C25 C26 C27 C28 -178.3(12) . . . . ?
C26 C27 C28 C29 2(3) . . . . ?
C27 C28 C29 C30 -1(3) . . . . ?
C28 C29 C30 C31 -1(3) . . . . ?
C27 C26 C31 C30 -1.4(19) . . . . ?
C25 C26 C31 C30 176.9(12) . . . . ?
C29 C30 C31 C26 2(2) . . . . ?
C13 N4 C34 N3 -178.2(9) . . . . ?
Sm2 N4 C34 N3 -15.4(9) . . . . ?
C13 N4 C34 C35 -4.6(16) . . . . ?
Sm2 N4 C34 C35 158.2(9) . . . . ?
C13 N4 C34 Sm2 -162.8(11) . . . . ?
Si1 N3 C34 N4 -156.1(8) . . . . ?
Sm2 N3 C34 N4 15.6(9) . . . . ?
Si1 N3 C34 C35 30.3(15) . . . . ?
Sm2 N3 C34 C35 -158.0(9) . . . . ?
Si1 N3 C34 Sm2 -171.7(10) . . . . ?
N6 Sm2 C34 N4 -121.4(6) . . . . ?
N7 Sm2 C34 N4 151.7(6) 2_675 . . . ?
N3 Sm2 C34 N4 -163.8(10) . . . . ?
N5 Sm2 C34 N4 25.8(14) . . . . ?
C46 Sm2 C34 N4 19.6(7) . . . . ?
C53 Sm2 C34 N4 131.4(6) . . . . ?
C41 Sm2 C34 N4 4.1(8) . . . . ?
C47 Sm2 C34 N4 -98.4(6) . . . . ?
Sm1 Sm2 C34 N4 -164.6(5) . . . . ?
Sm3 Sm2 C34 N4 122.9(5) 2_675 . . . ?
N6 Sm2 C34 N3 42.4(7) . . . . ?
N7 Sm2 C34 N3 -44.6(6) 2_675 . . . ?
N4 Sm2 C34 N3 163.8(10) . . . . ?
N5 Sm2 C34 N3 -170.4(9) . . . . ?
C46 Sm2 C34 N3 -176.6(6) . . . . ?
C53 Sm2 C34 N3 -64.8(6) . . . . ?
C41 Sm2 C34 N3 167.8(5) . . . . ?
C47 Sm2 C34 N3 65.3(6) . . . . ?
Sm1 Sm2 C34 N3 -0.8(6) . . . . ?
Sm3 Sm2 C34 N3 -73.4(7) 2_675 . . . ?
N6 Sm2 C34 C35 138(2) . . . . ?
N7 Sm2 C34 C35 51(2) 2_675 . . . ?
N3 Sm2 C34 C35 95(2) . . . . ?
N4 Sm2 C34 C35 -101(2) . . . . ?
N5 Sm2 C34 C35 -75(2) . . . . ?
C46 Sm2 C34 C35 -81(2) . . . . ?
C53 Sm2 C34 C35 30(2) . . . . ?
C41 Sm2 C34 C35 -97(2) . . . . ?
C47 Sm2 C34 C35 161(2) . . . . ?
Sm1 Sm2 C34 C35 94(2) . . . . ?
Sm3 Sm2 C34 C35 22(2) 2_675 . . . ?
N4 C34 C35 C40 -121.1(11) . . . . ?
N3 C34 C35 C40 52.1(14) . . . . ?
Sm2 C34 C35 C40 -31(3) . . . . ?
N4 C34 C35 C36 57.6(15) . . . . ?
N3 C34 C35 C36 -129.2(11) . . . . ?
Sm2 C34 C35 C36 147.3(17) . . . . ?
C40 C35 C36 C37 -1.4(16) . . . . ?
C34 C35 C36 C37 179.9(10) . . . . ?
C35 C36 C37 C38 1.3(17) . . . . ?
C36 C37 C38 C39 -0.4(18) . . . . ?
C37 C38 C39 C40 -0.5(18) . . . . ?
C38 C39 C40 C35 0.4(17) . . . . ?
C36 C35 C40 C39 0.5(16) . . . . ?
C34 C35 C40 C39 179.3(10) . . . . ?
Sm3 N5 C41 C42 141.2(9) 2_675 . . . ?
Sm3 N5 C41 C42 -36.8(11) . . . . ?
Sm1 N5 C41 C42 57.0(9) 2_675 . . . ?
Sm2 N5 C41 C42 -129.0(9) . . . . ?
Sm3 N5 C41 C46 -41.5(15) 2_675 . . . ?
Sm3 N5 C41 C46 140.5(8) . . . . ?
Sm1 N5 C41 C46 -125.7(8) 2_675 . . . ?
Sm2 N5 C41 C46 48.3(9) . . . . ?
Sm3 N5 C41 Sm1 84.2(10) 2_675 . . 2_675 ?
Sm3 N5 C41 Sm1 -93.8(4) . . . 2_675 ?
Sm2 N5 C41 Sm1 174.0(3) . . . 2_675 ?
Sm3 N5 C41 Sm2 -89.8(10) 2_675 . . . ?
Sm3 N5 C41 Sm2 92.2(4) . . . . ?
Sm1 N5 C41 Sm2 -174.0(3) 2_675 . . . ?
N6 Sm2 C41 C42 52.6(10) . . . . ?
N7 Sm2 C41 C42 132.3(10) 2_675 . . . ?
N3 Sm2 C41 C42 -57.4(16) . . . . ?
N4 Sm2 C41 C42 -77.1(10) . . . . ?
N5 Sm2 C41 C42 112.0(12) . . . . ?
C34 Sm2 C41 C42 -79.2(11) . . . . ?
C46 Sm2 C41 C42 -110.1(12) . . . . ?
C53 Sm2 C41 C42 161.7(9) . . . . ?
C47 Sm2 C41 C42 25.0(10) . . . . ?
Sm1 Sm2 C41 C42 89.4(10) . . . . ?
Sm3 Sm2 C41 C42 135.8(10) 2_675 . . . ?
N6 Sm2 C41 N5 -59.4(5) . . . . ?
N7 Sm2 C41 N5 20.3(6) 2_675 . . . ?
N3 Sm2 C41 N5 -169.4(9) . . . . ?
N4 Sm2 C41 N5 170.9(5) . . . . ?
C34 Sm2 C41 N5 168.8(5) . . . . ?
C46 Sm2 C41 N5 137.9(9) . . . . ?
C53 Sm2 C41 N5 49.7(6) . . . . ?
C47 Sm2 C41 N5 -87.0(5) . . . . ?
Sm1 Sm2 C41 N5 -22.6(5) . . . . ?
Sm3 Sm2 C41 N5 23.8(4) 2_675 . . . ?
N6 Sm2 C41 C46 162.7(6) . . . . ?
N7 Sm2 C41 C46 -117.5(6) 2_675 . . . ?
N3 Sm2 C41 C46 52.7(13) . . . . ?
N4 Sm2 C41 C46 33.0(7) . . . . ?
N5 Sm2 C41 C46 -137.9(9) . . . . ?
C34 Sm2 C41 C46 31.0(8) . . . . ?
C53 Sm2 C41 C46 -88.1(6) . . . . ?
C47 Sm2 C41 C46 135.2(6) . . . . ?
Sm1 Sm2 C41 C46 -160.5(5) . . . . ?
Sm3 Sm2 C41 C46 -114.1(6) 2_675 . . . ?
N6 Sm2 C41 Sm1 -66.5(5) . . . 2_675 ?
N7 Sm2 C41 Sm1 13.3(5) 2_675 . . 2_675 ?
N3 Sm2 C41 Sm1 -176.4(8) . . . 2_675 ?
N4 Sm2 C41 Sm1 163.8(4) . . . 2_675 ?
N5 Sm2 C41 Sm1 -7.0(3) . . . 2_675 ?
C34 Sm2 C41 Sm1 161.8(4) . . . 2_675 ?
C46 Sm2 C41 Sm1 130.8(8) . . . 2_675 ?
C53 Sm2 C41 Sm1 42.7(5) . . . 2_675 ?
C47 Sm2 C41 Sm1 -94.0(4) . . . 2_675 ?
Sm1 Sm2 C41 Sm1 -29.7(5) . . . 2_675 ?
Sm3 Sm2 C41 Sm1 16.8(3) 2_675 . . 2_675 ?
N5 C41 C42 C43 176.4(10) . . . . ?
C46 C41 C42 C43 -1.0(15) . . . . ?
Sm1 C41 C42 C43 -133.2(10) 2_675 . . . ?
Sm2 C41 C42 C43 90.4(13) . . . . ?
N5 C41 C42 Sm1 -50.5(8) . . . 2_675 ?
C46 C41 C42 Sm1 132.2(8) . . . 2_675 ?
Sm2 C41 C42 Sm1 -136.5(8) . . . 2_675 ?
C41 C42 C43 C44 -2.6(19) . . . . ?
Sm1 C42 C43 C44 -100.3(15) 2_675 . . . ?
C42 C43 C44 C45 5(2) . . . . ?
C43 C44 C45 C46 -4(2) . . . . ?
C44 C45 C46 C41 0.5(18) . . . . ?
C44 C45 C46 Sm2 -101.1(13) . . . . ?
C42 C41 C46 C45 1.9(15) . . . . ?
N5 C41 C46 C45 -175.5(10) . . . . ?
Sm1 C41 C46 C45 102.0(12) 2_675 . . . ?
Sm2 C41 C46 C45 -130.4(10) . . . . ?
C42 C41 C46 Sm2 132.3(8) . . . . ?
N5 C41 C46 Sm2 -45.1(8) . . . . ?
Sm1 C41 C46 Sm2 -127.6(7) 2_675 . . . ?
N6 Sm2 C46 C45 100.7(10) . . . . ?
N7 Sm2 C46 C45 -166.0(10) 2_675 . . . ?
N3 Sm2 C46 C45 -39.9(12) . . . . ?
N4 Sm2 C46 C45 -28.3(10) . . . . ?
N5 Sm2 C46 C45 144.5(11) . . . . ?
C34 Sm2 C46 C45 -37.4(11) . . . . ?
C53 Sm2 C46 C45 -135.2(10) . . . . ?
C41 Sm2 C46 C45 120.8(13) . . . . ?
C47 Sm2 C46 C45 71.1(11) . . . . ?
Sm1 Sm2 C46 C45 148.5(9) . . . . ?
Sm3 Sm2 C46 C45 178.8(10) 2_675 . . . ?
N6 Sm2 C46 C41 -20.1(7) . . . . ?
N7 Sm2 C46 C41 73.2(6) 2_675 . . . ?
N3 Sm2 C46 C41 -160.7(5) . . . . ?
N4 Sm2 C46 C41 -149.2(6) . . . . ?
N5 Sm2 C46 C41 23.7(5) . . . . ?
C34 Sm2 C46 C41 -158.3(6) . . . . ?
C53 Sm2 C46 C41 103.9(6) . . . . ?
C47 Sm2 C46 C41 -49.7(6) . . . . ?
Sm1 Sm2 C46 C41 27.7(8) . . . . ?
Sm3 Sm2 C46 C41 58.0(6) 2_675 . . . ?
Sm2 N6 C47 C52 58.9(10) . . . . ?
Sm1 N6 C47 C52 -172.1(8) . . . . ?
Sm3 N6 C47 C52 -54.5(10) . . . . ?
Sm2 N6 C47 C48 -121.4(9) . . . . ?
Sm1 N6 C47 C48 7.6(16) . . . . ?
Sm3 N6 C47 C48 125.3(9) . . . . ?
Sm1 N6 C47 Sm2 129.0(11) . . . . ?
Sm3 N6 C47 Sm2 -113.3(5) . . . . ?
Sm2 N6 C47 Sm3 113.3(5) . . . . ?
Sm1 N6 C47 Sm3 -117.6(10) . . . . ?
N6 Sm2 C47 C52 -132.4(9) . . . . ?
N7 Sm2 C47 C52 -148.3(6) 2_675 . . . ?
N3 Sm2 C47 C52 123.6(7) . . . . ?
N4 Sm2 C47 C52 70.1(7) . . . . ?
N5 Sm2 C47 C52 -69.8(6) . . . . ?
C34 Sm2 C47 C52 98.2(7) . . . . ?
C46 Sm2 C47 C52 -19.5(7) . . . . ?
C53 Sm2 C47 C52 -166.6(6) . . . . ?
C41 Sm2 C47 C52 -41.1(7) . . . . ?
Sm1 Sm2 C47 C52 -153.5(7) . . . . ?
Sm3 Sm2 C47 C52 -106.6(6) 2_675 . . . ?
N7 Sm2 C47 N6 -15.9(6) 2_675 . . . ?
N3 Sm2 C47 N6 -104.0(6) . . . . ?
N4 Sm2 C47 N6 -157.5(6) . . . . ?
N5 Sm2 C47 N6 62.7(6) . . . . ?
C34 Sm2 C47 N6 -129.3(6) . . . . ?
C46 Sm2 C47 N6 113.0(6) . . . . ?
C53 Sm2 C47 N6 -34.1(7) . . . . ?
C41 Sm2 C47 N6 91.4(6) . . . . ?
Sm1 Sm2 C47 N6 -21.1(5) . . . . ?
Sm3 Sm2 C47 N6 25.9(6) 2_675 . . . ?
N6 Sm2 C47 C48 97.0(12) . . . . ?
N7 Sm2 C47 C48 81.1(10) 2_675 . . . ?
N3 Sm2 C47 C48 -7.0(10) . . . . ?
N4 Sm2 C47 C48 -60.5(11) . . . . ?
N5 Sm2 C47 C48 159.7(10) . . . . ?
C34 Sm2 C47 C48 -32.3(11) . . . . ?
C46 Sm2 C47 C48 -150.0(10) . . . . ?
C53 Sm2 C47 C48 62.9(11) . . . . ?
C41 Sm2 C47 C48 -171.6(10) . . . . ?
Sm1 Sm2 C47 C48 76.0(10) . . . . ?
Sm3 Sm2 C47 C48 122.9(10) 2_675 . . . ?
N6 Sm2 C47 Sm3 -46.7(5) . . . . ?
N7 Sm2 C47 Sm3 -62.6(3) 2_675 . . . ?
N3 Sm2 C47 Sm3 -150.7(2) . . . . ?
N4 Sm2 C47 Sm3 155.8(2) . . . . ?
N5 Sm2 C47 Sm3 16.0(2) . . . . ?
C34 Sm2 C47 Sm3 -176.0(2) . . . . ?
C46 Sm2 C47 Sm3 66.3(3) . . . . ?
C53 Sm2 C47 Sm3 -80.8(3) . . . . ?
C41 Sm2 C47 Sm3 44.7(2) . . . . ?
Sm1 Sm2 C47 Sm3 -67.75(15) . . . . ?
Sm3 Sm2 C47 Sm3 -20.8(2) 2_675 . . . ?
N7 Sm3 C47 C52 13.4(11) . . . . ?
N5 Sm3 C47 C52 153.1(6) 2_675 . . . ?
N6 Sm3 C47 C52 135.3(9) . . . . ?
O1 Sm3 C47 C52 -48.3(6) . . . . ?
N5 Sm3 C47 C52 74.8(6) . . . . ?
C53 Sm3 C47 C52 -48.5(9) 2_675 . . . ?
I1 Sm3 C47 C52 -138.5(6) . . . . ?
Sm1 Sm3 C47 C52 159.6(7) . . . . ?
Sm2 Sm3 C47 C52 155.4(5) 2_675 . . . ?
Sm2 Sm3 C47 C52 91.5(6) . . . . ?
Sm1 Sm3 C47 C52 54.3(7) 2_675 . . . ?
N7 Sm3 C47 N6 -122.0(8) . . . . ?
N5 Sm3 C47 N6 17.8(6) 2_675 . . . ?
O1 Sm3 C47 N6 176.4(6) . . . . ?
N5 Sm3 C47 N6 -60.5(6) . . . . ?
C53 Sm3 C47 N6 176.2(5) 2_675 . . . ?
I1 Sm3 C47 N6 86.2(5) . . . . ?
Sm1 Sm3 C47 N6 24.2(5) . . . . ?
Sm2 Sm3 C47 N6 20.1(9) 2_675 . . . ?
Sm2 Sm3 C47 N6 -43.8(5) . . . . ?
Sm1 Sm3 C47 N6 -81.0(6) 2_675 . . . ?
N7 Sm3 C47 C48 140.0(10) . . . . ?
N5 Sm3 C47 C48 -80.3(11) 2_675 . . . ?
N6 Sm3 C47 C48 -98.1(12) . . . . ?
O1 Sm3 C47 C48 78.3(11) . . . . ?
N5 Sm3 C47 C48 -158.6(11) . . . . ?
C53 Sm3 C47 C48 78.1(12) 2_675 . . . ?
I1 Sm3 C47 C48 -11.9(10) . . . . ?
Sm1 Sm3 C47 C48 -73.8(10) . . . . ?
Sm2 Sm3 C47 C48 -78.0(12) 2_675 . . . ?
Sm2 Sm3 C47 C48 -141.9(12) . . . . ?
Sm1 Sm3 C47 C48 -179.1(9) 2_675 . . . ?
N7 Sm3 C47 Sm2 -78.2(7) . . . . ?
N5 Sm3 C47 Sm2 61.6(3) 2_675 . . . ?
N6 Sm3 C47 Sm2 43.8(5) . . . . ?
O1 Sm3 C47 Sm2 -139.8(3) . . . . ?
N5 Sm3 C47 Sm2 -16.7(2) . . . . ?
C53 Sm3 C47 Sm2 -140.0(4) 2_675 . . . ?
I1 Sm3 C47 Sm2 130.0(2) . . . . ?
Sm1 Sm3 C47 Sm2 68.02(15) . . . . ?
Sm2 Sm3 C47 Sm2 63.9(5) 2_675 . . . ?
Sm1 Sm3 C47 Sm2 -37.2(3) 2_675 . . . ?
C52 C47 C48 C49 -0.9(16) . . . . ?
N6 C47 C48 C49 179.4(10) . . . . ?
Sm2 C47 C48 C49 119.9(11) . . . . ?
Sm3 C47 C48 C49 -115.9(12) . . . . ?
C47 C48 C49 C50 4(2) . . . . ?
C48 C49 C50 C51 -3(2) . . . . ?
C49 C50 C51 C52 0(2) . . . . ?
C50 C51 C52 C47 3(2) . . . . ?
N6 C47 C52 C51 177.5(11) . . . . ?
C48 C47 C52 C51 -2.3(16) . . . . ?
Sm2 C47 C52 C51 -143.3(11) . . . . ?
Sm3 C47 C52 C51 138.2(11) . . . . ?
N6 Sm2 C53 C54 155.7(6) . . . . ?
N7 Sm2 C53 C54 132.7(9) 2_675 . . . ?
N3 Sm2 C53 C54 -115.5(6) . . . . ?
N4 Sm2 C53 C54 -68.1(6) . . . . ?
N5 Sm2 C53 C54 76.2(6) . . . . ?
C34 Sm2 C53 C54 -89.7(6) . . . . ?
C46 Sm2 C53 C54 23.7(7) . . . . ?
C41 Sm2 C53 C54 54.6(6) . . . . ?
C47 Sm2 C53 C54 171.3(5) . . . . ?
Sm1 Sm2 C53 C54 158.3(6) . . . . ?
Sm3 Sm2 C53 C54 84.0(6) 2_675 . . . ?
N6 Sm2 C53 N7 23.0(6) . . . 2_675 ?
N3 Sm2 C53 N7 111.8(6) . . . 2_675 ?
N4 Sm2 C53 N7 159.2(5) . . . 2_675 ?
N5 Sm2 C53 N7 -56.5(5) . . . 2_675 ?
C34 Sm2 C53 N7 137.6(5) . . . 2_675 ?
C46 Sm2 C53 N7 -109.0(5) . . . 2_675 ?
C41 Sm2 C53 N7 -78.1(6) . . . 2_675 ?
C47 Sm2 C53 N7 38.7(7) . . . 2_675 ?
Sm1 Sm2 C53 N7 25.6(5) . . . 2_675 ?
Sm3 Sm2 C53 N7 -48.7(5) 2_675 . . 2_675 ?
N6 Sm2 C53 C58 -81.5(9) . . . . ?
N7 Sm2 C53 C58 -104.5(11) 2_675 . . . ?
N3 Sm2 C53 C58 7.4(9) . . . . ?
N4 Sm2 C53 C58 54.7(9) . . . . ?
N5 Sm2 C53 C58 -161.0(9) . . . . ?
C34 Sm2 C53 C58 33.1(9) . . . . ?
C46 Sm2 C53 C58 146.5(9) . . . . ?
C41 Sm2 C53 C58 177.5(8) . . . . ?
C47 Sm2 C53 C58 -65.8(10) . . . . ?
Sm1 Sm2 C53 C58 -78.9(9) . . . . ?
Sm3 Sm2 C53 C58 -153.2(10) 2_675 . . . ?
N6 Sm2 C53 Sm3 71.7(3) . . . 2_675 ?
N7 Sm2 C53 Sm3 48.7(5) 2_675 . . 2_675 ?
N3 Sm2 C53 Sm3 160.5(3) . . . 2_675 ?
N4 Sm2 C53 Sm3 -152.1(2) . . . 2_675 ?
N5 Sm2 C53 Sm3 -7.8(2) . . . 2_675 ?
C34 Sm2 C53 Sm3 -173.7(2) . . . 2_675 ?
C46 Sm2 C53 Sm3 -60.4(3) . . . 2_675 ?
C41 Sm2 C53 Sm3 -29.4(3) . . . 2_675 ?
C47 Sm2 C53 Sm3 87.3(3) . . . 2_675 ?
Sm1 Sm2 C53 Sm3 74.31(14) . . . 2_675 ?
N7 C53 C54 C55 -174.7(10) 2_675 . . . ?
C58 C53 C54 C55 4.4(15) . . . . ?
Sm2 C53 C54 C55 139.4(10) . . . . ?
Sm3 C53 C54 C55 -144.7(10) 2_675 . . . ?
C53 C54 C55 C56 -4.1(17) . . . . ?
C54 C55 C56 C57 1.7(18) . . . . ?
C55 C56 C57 C58 0.0(19) . . . . ?
C56 C57 C58 C53 0.5(18) . . . . ?
C54 C53 C58 C57 -2.6(15) . . . . ?
N7 C53 C58 C57 176.5(10) 2_675 . . . ?
Sm2 C53 C58 C57 -114.0(11) . . . . ?
Sm3 C53 C58 C57 115.3(12) 2_675 . . . ?
C62 O1 C59 C60 20.9(19) . . . . ?
Sm3 O1 C59 C60 -159.9(11) . . . . ?
O1 C59 C60 C61 -7(2) . . . . ?
C59 C60 C61 C62 -7.5(19) . . . . ?
C59 O1 C62 C61 -25.2(14) . . . . ?
Sm3 O1 C62 C61 155.7(7) . . . . ?
C60 C61 C62 O1 19.7(13) . . . . ?
C65 O2 C63 C64 173.7(15) . . . . ?
C63 O2 C65 C66 178.1(15) . . . . ?
