#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:37:57 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180047 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/41/7034107.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_7034107
loop_
_publ_author_name
'Xiao, Hong-Ping'
'Zhou, Jian'
'Zhao, Rong-Qing'
'Zhang, Wei-Bing'
'Huang, Yong'
_publ_section_title
;
 A series of lanthanoid selenidoantimonates(v): rare examples of
 lanthanoid selenidoantimonates based on dinuclear lanthanide complexes.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6032
_journal_page_last               6039
_journal_paper_doi               10.1039/c5dt00146c
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety
'C16 H48 N10 O2 Sb2 Se8 Tb2, C16 H48 Cl2 N10 O2 Tb2 '
_chemical_formula_sum            'C32 H96 Cl2 N20 O4 Sb2 Se8 Tb4'
_chemical_formula_weight         2407.11
_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
_audit_update_record
;
2015-01-07 deposited with the CCDC.
2015-02-18 downloaded from the CCDC.
;
_cell_angle_alpha                95.2720(10)
_cell_angle_beta                 91.6610(10)
_cell_angle_gamma                90.1050(10)
_cell_formula_units_Z            2
_cell_length_a                   12.2010(5)
_cell_length_b                   16.0912(8)
_cell_length_c                   16.9143(8)
_cell_measurement_temperature    296(2)
_cell_volume                     3305.3(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_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  0.0549
_diffrn_reflns_av_sigmaI/netI    0.0490
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            46095
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    9.562
_exptl_absorpt_correction_T_max  0.3200
_exptl_absorpt_correction_T_min  0.1978
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.420
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2256
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.950
_refine_diff_density_min         -2.433
_refine_diff_density_rms         0.210
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         11713
_refine_ls_number_restraints     928
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0349P)²+29.3996P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0831
_refine_ls_wR_factor_ref         0.0911
_reflns_number_gt                9295
_reflns_number_total             11713
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt00146c2.cif
_cod_data_source_block           IId
_cod_depositor_comments
'Adding full bibliography for 7034101--7034109.cif.'
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               7034107
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
Tb4 Tb 0.43563(3) 0.07202(2) 0.93287(2) 0.01353(9) Uani 1 1 d .
Tb3 Tb 0.13239(3) 0.03616(3) 0.46206(2) 0.02007(10) Uani 1 1 d .
Sb1 Sb 0.07363(5) 0.31730(3) 0.71866(3) 0.01911(13) Uani 1 1 d .
Sb2 Sb 0.40202(5) 0.29677(3) 1.22470(3) 0.01757(13) Uani 1 1 d .
Tb1 Tb 0.37635(3) 0.51455(2) 1.43365(2) 0.01294(9) Uani 1 1 d .
Tb2 Tb 0.08078(3) 0.55004(2) 0.92437(2) 0.01349(9) Uani 1 1 d .
Se1 Se 0.30914(7) 0.40497(6) 1.15256(5) 0.0238(2) Uani 1 1 d .
Se2 Se 0.39181(8) 0.33115(5) 1.37116(5) 0.0237(2) Uani 1 1 d .
Se3 Se 0.30425(8) 0.16251(6) 1.19705(6) 0.0267(2) Uani 1 1 d .
Se4 Se 0.59578(7) 0.28834(6) 1.18723(6) 0.0296(2) Uani 1 1 d .
Se5 Se 0.10071(8) 0.19342(6) 0.79143(6) 0.0301(2) Uani 1 1 d .
Se6 Se 0.25324(8) 0.37500(6) 0.68643(6) 0.0311(2) Uani 1 1 d .
Se7 Se -0.03124(7) 0.42458(5) 0.80166(5) 0.02142(19) Uani 1 1 d .
Se8 Se -0.04092(8) 0.28215(6) 0.59705(5) 0.0264(2) Uani 1 1 d .
Cl2 Cl 0.63474(17) 0.13102(13) 0.89581(14) 0.0257(5) Uani 1 1 d .
Cl1 Cl 0.2522(3) -0.05380(16) 0.56130(17) 0.0540(9) Uani 1 1 d .
O2W O 0.0923(4) 0.4726(3) 1.0292(3) 0.0158(12) Uani 1 1 d .
H2WA H 0.1229 0.5014 1.0683 0.024 Uiso 1 1 d R
O1W O 0.5522(4) 0.5532(3) 1.4611(3) 0.0157(12) Uani 1 1 d .
H1WA H 0.5544 0.6043 1.4790 0.024 Uiso 1 1 d R
O4W O 0.4675(5) 0.0487(3) 1.0603(3) 0.0184(12) Uani 1 1 d .
H4WA H 0.4094 0.0297 1.0787 0.028 Uiso 1 1 d R
O3W O 0.0092(5) -0.0710(4) 0.4579(4) 0.0247(14) Uani 1 1 d .
H3WA H -0.0450 -0.0605 0.4278 0.037 Uiso 1 1 d R
N1 N 0.2036(6) 0.4922(6) 1.3467(5) 0.0316(15) Uani 1 1 d U
H1A H 0.1952 0.5361 1.3177 0.038 Uiso 1 1 calc R
H1B H 0.2125 0.4465 1.3127 0.038 Uiso 1 1 calc R
N2 N 0.2123(6) 0.4757(6) 1.5119(5) 0.0330(15) Uani 1 1 d U
H2C H 0.2367 0.4362 1.5433 0.040 Uiso 1 1 calc R
N3 N 0.3465(6) 0.6227(5) 1.5493(5) 0.0310(15) Uani 1 1 d U
H3C H 0.4133 0.6298 1.5742 0.037 Uiso 1 1 calc R
N4 N 0.3352(8) 0.6619(5) 1.3923(5) 0.0395(16) Uani 1 1 d U
H4C H 0.2620 0.6663 1.3815 0.047 Uiso 1 1 calc R
N5 N 0.4429(6) 0.5354(5) 1.2963(4) 0.0262(15) Uani 1 1 d U
H5A H 0.5166 0.5333 1.2975 0.031 Uiso 1 1 calc R
H5B H 0.4182 0.4926 1.2624 0.031 Uiso 1 1 calc R
N6 N 0.2426(6) 0.4565(4) 0.8877(4) 0.0219(14) Uani 1 1 d U
H6A H 0.2410 0.4125 0.9169 0.026 Uiso 1 1 calc R
H6B H 0.2340 0.4366 0.8363 0.026 Uiso 1 1 calc R
N7 N 0.2669(6) 0.6125(4) 0.9762(4) 0.0211(13) Uani 1 1 d U
H7C H 0.2860 0.6501 0.9419 0.025 Uiso 1 1 calc R
N8 N 0.0602(6) 0.6773(4) 1.0243(4) 0.0228(14) Uani 1 1 d U
H8C H 0.0359 0.6569 1.0691 0.027 Uiso 1 1 calc R
N9 N -0.0371(6) 0.6651(4) 0.8671(4) 0.0203(13) Uani 1 1 d U
H9C H -0.1086 0.6506 0.8719 0.024 Uiso 1 1 calc R
N10 N 0.1557(6) 0.5968(5) 0.7952(4) 0.0234(13) Uani 1 1 d U
H10A H 0.2273 0.6093 0.8035 0.028 Uiso 1 1 calc R
H10B H 0.1508 0.5535 0.7577 0.028 Uiso 1 1 calc R
N11 N 0.0863(8) 0.1802(6) 0.4213(6) 0.0599(19) Uani 1 1 d DU
H11A H 0.0788 0.2161 0.4648 0.072 Uiso 1 1 calc R
H11B H 0.1409 0.1988 0.3928 0.072 Uiso 1 1 calc R
N12 N 0.0432(9) 0.0337(6) 0.3232(6) 0.0622(18) Uani 1 1 d DU
H12C H -0.0204 0.0052 0.3280 0.075 Uiso 1 1 calc R
N13 N 0.2222(7) -0.0716(6) 0.3632(5) 0.0558(19) Uani 1 1 d DU
H13C H 0.2395 -0.1182 0.3874 0.067 Uiso 1 1 calc R
N14 N 0.3220(7) 0.0858(5) 0.4163(5) 0.0435(16) Uani 1 1 d DU
H14C H 0.3100 0.1238 0.3804 0.052 Uiso 1 1 calc R
N15 N 0.2224(7) 0.1466(5) 0.5624(5) 0.0425(18) Uani 1 1 d DU
H15A H 0.1719 0.1854 0.5766 0.051 Uiso 1 1 calc R
H15B H 0.2425 0.1219 0.6062 0.051 Uiso 1 1 calc R
N16 N 0.2401(6) 0.1041(5) 0.9840(5) 0.0325(15) Uani 1 1 d U
H16A H 0.2458 0.1376 1.0295 0.039 Uiso 1 1 calc R
H16B H 0.2030 0.1321 0.9481 0.039 Uiso 1 1 calc R
N17 N 0.2933(7) -0.0469(5) 0.8988(5) 0.0373(16) Uani 1 1 d U
H17C H 0.3256 -0.0921 0.9179 0.045 Uiso 1 1 calc R
N18 N 0.4317(6) 0.0173(4) 0.7848(4) 0.0241(14) Uani 1 1 d U
H18C H 0.5034 0.0124 0.7717 0.029 Uiso 1 1 calc R
N19 N 0.3788(6) 0.1841(4) 0.8409(4) 0.0177(13) Uani 1 1 d U
H19C H 0.3042 0.1839 0.8378 0.021 Uiso 1 1 calc R
N20 N 0.4332(6) 0.2180(4) 1.0044(4) 0.0224(14) Uani 1 1 d U
H20A H 0.3976 0.2158 1.0501 0.027 Uiso 1 1 calc R
H20B H 0.5028 0.2336 1.0173 0.027 Uiso 1 1 calc R
C1 C 0.1038(8) 0.4821(7) 1.3902(6) 0.039(2) Uani 1 1 d U
H1C H 0.0490 0.4533 1.3550 0.047 Uiso 1 1 calc R
H1D H 0.0752 0.5367 1.4078 0.047 Uiso 1 1 calc R
C2 C 0.1236(8) 0.4347(7) 1.4594(6) 0.040(2) Uani 1 1 d U
H2A H 0.1449 0.3781 1.4417 0.048 Uiso 1 1 calc R
H2B H 0.0568 0.4321 1.4888 0.048 Uiso 1 1 calc R
C3 C 0.1762(8) 0.5465(7) 1.5666(6) 0.0366(17) Uani 1 1 d U
H3A H 0.1282 0.5264 1.6055 0.044 Uiso 1 1 calc R
H3B H 0.1355 0.5857 1.5370 0.044 Uiso 1 1 calc R
C4 C 0.2752(8) 0.5899(7) 1.6086(6) 0.0377(19) Uani 1 1 d U
H4A H 0.2513 0.6353 1.6457 0.045 Uiso 1 1 calc R
H4B H 0.3159 0.5507 1.6383 0.045 Uiso 1 1 calc R
C5 C 0.3138(9) 0.7058(7) 1.5307(7) 0.0410(19) Uani 1 1 d U
H5C H 0.3353 0.7466 1.5743 0.049 Uiso 1 1 calc R
H5D H 0.2348 0.7081 1.5232 0.049 Uiso 1 1 calc R
C6 C 0.3678(9) 0.7254(7) 1.4571(7) 0.0425(19) Uani 1 1 d U
H6C H 0.3458 0.7803 1.4435 0.051 Uiso 1 1 calc R
H6D H 0.4468 0.7254 1.4653 0.051 Uiso 1 1 calc R
C7 C 0.3970(11) 0.6827(8) 1.3222(7) 0.053(2) Uani 1 1 d U
H7A H 0.3596 0.7274 1.2978 0.064 Uiso 1 1 calc R
H7B H 0.4694 0.7029 1.3400 0.064 Uiso 1 1 calc R
C8 C 0.4084(10) 0.6145(7) 1.2648(7) 0.045(2) Uani 1 1 d U
H8A H 0.4617 0.6292 1.2269 0.054 Uiso 1 1 calc R
H8B H 0.3387 0.6052 1.2362 0.054 Uiso 1 1 calc R
C9 C 0.3522(7) 0.4965(5) 0.8991(5) 0.0217(15) Uani 1 1 d U
H9A H 0.3659 0.5300 0.8555 0.026 Uiso 1 1 calc R
H9B H 0.4085 0.4541 0.8999 0.026 Uiso 1 1 calc R
C10 C 0.3557(7) 0.5506(5) 0.9757(5) 0.0231(16) Uani 1 1 d U
H10C H 0.3476 0.5164 1.0195 0.028 Uiso 1 1 calc R
H10D H 0.4260 0.5790 0.9826 0.028 Uiso 1 1 calc R
C11 C 0.2544(7) 0.6598(6) 1.0538(5) 0.0254(16) Uani 1 1 d U
H11C H 0.3225 0.6884 1.0700 0.031 Uiso 1 1 calc R
H11D H 0.2378 0.6218 1.0931 0.031 Uiso 1 1 calc R
C12 C 0.1635(7) 0.7225(6) 1.0490(6) 0.0259(16) Uani 1 1 d U
H12A H 0.1552 0.7536 1.1004 0.031 Uiso 1 1 calc R
H12B H 0.1807 0.7617 1.0108 0.031 Uiso 1 1 calc R
C13 C -0.0263(8) 0.7346(6) 1.0004(5) 0.0254(16) Uani 1 1 d U
H13A H -0.0179 0.7880 1.0315 0.030 Uiso 1 1 calc R
H13B H -0.0976 0.7119 1.0109 0.030 Uiso 1 1 calc R
C14 C -0.0202(7) 0.7467(5) 0.9139(5) 0.0240(15) Uani 1 1 d U
H14A H -0.0761 0.7857 0.8992 0.029 Uiso 1 1 calc R
H14B H 0.0509 0.7695 0.9030 0.029 Uiso 1 1 calc R
C15 C -0.0193(7) 0.6693(6) 0.7814(5) 0.0252(16) Uani 1 1 d U
H15C H -0.0534 0.7193 0.7644 0.030 Uiso 1 1 calc R
H15D H -0.0540 0.6215 0.7516 0.030 Uiso 1 1 calc R
C16 C 0.0998(7) 0.6702(6) 0.7638(6) 0.0256(17) Uani 1 1 d U
H16C H 0.1331 0.7215 0.7882 0.031 Uiso 1 1 calc R
H16D H 0.1087 0.6684 0.7069 0.031 Uiso 1 1 calc R
C17 C -0.0139(10) 0.1757(8) 0.3747(7) 0.073(3) Uani 1 1 d DU
H17A H -0.0331 0.2304 0.3589 0.088 Uiso 1 1 calc R
H17B H -0.0732 0.1559 0.4051 0.088 Uiso 1 1 calc R
C18 C 0.0051(11) 0.1155(7) 0.3021(7) 0.068(2) Uani 1 1 d DU
H18A H -0.0628 0.1083 0.2709 0.082 Uiso 1 1 calc R
H18B H 0.0591 0.1391 0.2695 0.082 Uiso 1 1 calc R
C19 C 0.0983(11) -0.0172(7) 0.2613(7) 0.069(2) Uani 1 1 d DU
H19A H 0.1529 0.0167 0.2385 0.082 Uiso 1 1 calc R
H19B H 0.0452 -0.0356 0.2196 0.082 Uiso 1 1 calc R
C20 C 0.1545(11) -0.0938(7) 0.2917(7) 0.066(2) Uani 1 1 d DU
H20C H 0.0991 -0.1340 0.3033 0.079 Uiso 1 1 calc R
H20D H 0.2001 -0.1200 0.2505 0.079 Uiso 1 1 calc R
C21 C 0.3187(10) -0.0416(8) 0.3241(7) 0.066(2) Uani 1 1 d DU
H21A H 0.2948 -0.0138 0.2781 0.079 Uiso 1 1 calc R
H21B H 0.3633 -0.0889 0.3057 0.079 Uiso 1 1 calc R
C22 C 0.3860(9) 0.0172(6) 0.3784(7) 0.054(2) Uani 1 1 d DU
H22A H 0.4204 -0.0133 0.4193 0.064 Uiso 1 1 calc R
H22B H 0.4438 0.0401 0.3486 0.064 Uiso 1 1 calc R
C23 C 0.3867(8) 0.1264(6) 0.4839(6) 0.043(2) Uani 1 1 d DU
H23A H 0.4489 0.1549 0.4642 0.051 Uiso 1 1 calc R
H23B H 0.4146 0.0842 0.5165 0.051 Uiso 1 1 calc R
C24 C 0.3187(8) 0.1889(6) 0.5346(6) 0.043(2) Uani 1 1 d DU
H24A H 0.3627 0.2128 0.5798 0.052 Uiso 1 1 calc R
H24B H 0.2953 0.2338 0.5036 0.052 Uiso 1 1 calc R
C32 C 0.3814(7) 0.2832(5) 0.9596(4) 0.0227(15) Uani 1 1 d DU
H32A H 0.4067 0.3380 0.9813 0.027 Uiso 1 1 calc R
H32B H 0.3023 0.2810 0.9637 0.027 Uiso 1 1 calc R
C29 C 0.3845(8) 0.0748(5) 0.7311(5) 0.0269(15) Uani 1 1 d DU
H29A H 0.3052 0.0691 0.7288 0.032 Uiso 1 1 calc R
H29B H 0.4112 0.0614 0.6780 0.032 Uiso 1 1 calc R
C30 C 0.4163(7) 0.1645(5) 0.7607(5) 0.0233(15) Uani 1 1 d DU
H30A H 0.4953 0.1710 0.7600 0.028 Uiso 1 1 calc R
H30B H 0.3835 0.2027 0.7258 0.028 Uiso 1 1 calc R
C31 C 0.4123(7) 0.2680(5) 0.8731(4) 0.0214(15) Uani 1 1 d DU
H31A H 0.3768 0.3089 0.8426 0.026 Uiso 1 1 calc R
H31B H 0.4910 0.2741 0.8690 0.026 Uiso 1 1 calc R
C27 C 0.2779(7) -0.0718(6) 0.8126(6) 0.0366(18) Uani 1 1 d DU
H27A H 0.2250 -0.0351 0.7901 0.044 Uiso 1 1 calc R
H27B H 0.2488 -0.1282 0.8051 0.044 Uiso 1 1 calc R
C28 C 0.3855(7) -0.0681(6) 0.7691(6) 0.0316(17) Uani 1 1 d DU
H28A H 0.4368 -0.1085 0.7877 0.038 Uiso 1 1 calc R
H28B H 0.3724 -0.0812 0.7125 0.038 Uiso 1 1 calc R
C26 C 0.1914(10) -0.0401(7) 0.9384(7) 0.053(2) Uani 1 1 d DU
H26A H 0.1812 -0.0901 0.9653 0.063 Uiso 1 1 calc R
H26B H 0.1328 -0.0386 0.8986 0.063 Uiso 1 1 calc R
C25 C 0.1802(11) 0.0337(7) 0.9974(8) 0.067(2) Uani 1 1 d DU
H25A H 0.1033 0.0488 0.9992 0.080 Uiso 1 1 calc R
H25B H 0.2018 0.0173 1.0493 0.080 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'
Cl Cl 0.1484 0.1585 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 '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
O4W Tb4 O4W 70.0(2) . 2_657
O4W Tb4 N20 77.0(2) . .
O4W Tb4 N20 137.9(2) 2_657 .
O4W Tb4 N19 143.7(2) . .
O4W Tb4 N19 143.9(2) 2_657 .
N20 Tb4 N19 67.2(2) . .
O4W Tb4 N18 149.2(2) . .
O4W Tb4 N18 80.1(2) 2_657 .
N20 Tb4 N18 132.9(2) . .
N19 Tb4 N18 67.1(2) . .
O4W Tb4 N17 97.2(2) . .
O4W Tb4 N17 75.0(2) 2_657 .
N20 Tb4 N17 135.8(3) . .
N19 Tb4 N17 104.0(3) . .
N18 Tb4 N17 67.2(3) . .
O4W Tb4 N16 82.1(2) . .
O4W Tb4 N16 127.4(2) 2_657 .
N20 Tb4 N16 70.7(2) . .
N19 Tb4 N16 80.6(2) . .
N18 Tb4 N16 111.9(3) . .
N17 Tb4 N16 65.1(3) . .
O4W Tb4 Cl2 100.54(15) . .
O4W Tb4 Cl2 82.12(15) 2_657 .
N20 Tb4 Cl2 78.89(18) . .
N19 Tb4 Cl2 79.01(16) . .
N18 Tb4 Cl2 82.09(17) . .
N17 Tb4 Cl2 144.1(2) . .
N16 Tb4 Cl2 148.13(18) . .
O4W Tb4 Tb4 35.38(14) . 2_657
O4W Tb4 Tb4 34.64(14) 2_657 2_657
N20 Tb4 Tb4 108.76(16) . 2_657
N19 Tb4 Tb4 170.17(15) . 2_657
N18 Tb4 Tb4 114.41(16) . 2_657
N17 Tb4 Tb4 85.2(2) . 2_657
N16 Tb4 Tb4 106.89(19) . 2_657
Cl2 Tb4 Tb4 91.50(5) . 2_657
O3W Tb3 O3W 69.5(2) 2_556 .
O3W Tb3 N11 79.2(3) 2_556 .
O3W Tb3 N11 123.9(3) . .
O3W Tb3 N12 102.7(3) 2_556 .
O3W Tb3 N12 76.2(3) . .
N11 Tb3 N12 66.6(3) . .
O3W Tb3 N15 78.8(2) 2_556 .
O3W Tb3 N15 139.8(2) . .
N11 Tb3 N15 70.9(3) . .
N12 Tb3 N15 136.2(3) . .
O3W Tb3 N13 148.6(2) 2_556 .
O3W Tb3 N13 79.1(2) . .
N11 Tb3 N13 119.9(3) . .
N12 Tb3 N13 68.1(3) . .
N15 Tb3 N13 129.4(3) . .
O3W Tb3 N14 144.1(2) 2_556 .
O3W Tb3 N14 146.1(2) . .
N11 Tb3 N14 78.5(3) . .
N12 Tb3 N14 93.7(3) . .
N15 Tb3 N14 67.6(2) . .
N13 Tb3 N14 67.3(2) . .
O3W Tb3 Cl1 98.90(17) 2_556 .
O3W Tb3 Cl1 85.22(17) . .
N11 Tb3 Cl1 146.4(2) . .
N12 Tb3 Cl1 144.3(2) . .
N15 Tb3 Cl1 75.8(2) . .
N13 Tb3 Cl1 78.6(3) . .
N14 Tb3 Cl1 84.9(2) . .
O3W Tb3 Tb3 34.90(15) 2_556 2_556
O3W Tb3 Tb3 34.63(14) . 2_556
N11 Tb3 Tb3 103.1(2) . 2_556
N12 Tb3 Tb3 89.3(2) . 2_556
N15 Tb3 Tb3 110.39(17) . 2_556
N13 Tb3 Tb3 113.68(18) . 2_556
N14 Tb3 Tb3 177.0(2) . 2_556
Cl1 Tb3 Tb3 92.46(8) . 2_556
Se5 Sb1 Se6 109.91(4) . .
Se5 Sb1 Se8 110.37(4) . .
Se6 Sb1 Se8 111.13(4) . .
Se5 Sb1 Se7 109.48(4) . .
Se6 Sb1 Se7 109.98(4) . .
Se8 Sb1 Se7 105.88(4) . .
Se3 Sb2 Se4 112.66(4) . .
Se3 Sb2 Se1 109.78(4) . .
Se4 Sb2 Se1 109.14(4) . .
Se3 Sb2 Se2 105.12(4) . .
Se4 Sb2 Se2 109.48(4) . .
Se1 Sb2 Se2 110.63(4) . .
O1W Tb1 O1W 69.4(2) . 2_668
O1W Tb1 N3 81.0(2) . .
O1W Tb1 N3 78.8(2) 2_668 .
O1W Tb1 N5 78.7(2) . .
O1W Tb1 N5 133.7(2) 2_668 .
N3 Tb1 N5 128.8(3) . .
O1W Tb1 N2 136.7(2) . .
O1W Tb1 N2 74.3(2) 2_668 .
N3 Tb1 N2 69.4(3) . .
N5 Tb1 N2 144.6(3) . .
O1W Tb1 N1 155.2(2) . .
O1W Tb1 N1 132.8(2) 2_668 .
N3 Tb1 N1 111.2(3) . .
N5 Tb1 N1 77.0(2) . .
N2 Tb1 N1 67.7(2) . .
O1W Tb1 N4 89.5(3) . .
O1W Tb1 N4 141.5(2) 2_668 .
N3 Tb1 N4 66.0(3) . .
N5 Tb1 N4 67.3(3) . .
N2 Tb1 N4 105.5(3) . .
N1 Tb1 N4 77.0(3) . .
O1W Tb1 Se2 103.94(14) . .
O1W Tb1 Se2 74.46(14) 2_668 .
N3 Tb1 Se2 148.72(19) . .
N5 Tb1 Se2 82.08(18) . .
N2 Tb1 Se2 87.9(2) . .
N1 Tb1 Se2 77.2(2) . .
N4 Tb1 Se2 143.5(2) . .
O1W Tb1 Tb1 35.26(14) . 2_668
O1W Tb1 Tb1 34.13(13) 2_668 2_668
N3 Tb1 Tb1 77.62(17) . 2_668
N5 Tb1 Tb1 107.98(18) . 2_668
N2 Tb1 Tb1 105.62(18) . 2_668
N1 Tb1 Tb1 164.5(2) . 2_668
N4 Tb1 Tb1 118.5(2) . 2_668
Se2 Tb1 Tb1 88.81(2) . 2_668
O2W Tb2 O2W 69.9(2) . 2_567
O2W Tb2 N6 78.6(2) . .
O2W Tb2 N6 134.3(2) 2_567 .
O2W Tb2 N8 87.2(2) . .
O2W Tb2 N8 78.9(2) 2_567 .
N6 Tb2 N8 132.6(2) . .
O2W Tb2 N10 151.3(2) . .
O2W Tb2 N10 135.0(2) 2_567 .
N6 Tb2 N10 73.0(2) . .
N8 Tb2 N10 109.2(2) . .
O2W Tb2 N7 85.7(2) . .
O2W Tb2 N7 139.1(2) 2_567 .
N6 Tb2 N7 66.6(2) . .
N8 Tb2 N7 67.3(2) . .
N10 Tb2 N7 79.8(2) . .
O2W Tb2 N9 141.3(2) . .
O2W Tb2 N9 76.3(2) 2_567 .
N6 Tb2 N9 140.0(2) . .
N8 Tb2 N9 67.9(2) . .
N10 Tb2 N9 67.3(2) . .
N7 Tb2 N9 109.4(2) . .
O2W Tb2 Se7 99.93(14) . .
O2W Tb2 Se7 73.86(14) 2_567 .
N6 Tb2 Se7 80.16(16) . .
N8 Tb2 Se7 147.19(16) . .
N10 Tb2 Se7 79.13(17) . .
N7 Tb2 Se7 144.64(16) . .
N9 Tb2 Se7 87.91(16) . .
O2W Tb2 Tb2 35.41(14) . 2_567
O2W Tb2 Tb2 34.45(13) 2_567 2_567
N6 Tb2 Tb2 108.18(17) . 2_567
N8 Tb2 Tb2 81.49(17) . 2_567
N10 Tb2 Tb2 164.83(17) . 2_567
N7 Tb2 Tb2 114.88(16) . 2_567
N9 Tb2 Tb2 108.94(16) . 2_567
Se7 Tb2 Tb2 86.12(2) . 2_567
Sb2 Se2 Tb1 117.95(3) . .
Sb1 Se7 Tb2 122.34(4) . .
Tb2 O2W Tb2 110.1(2) . 2_567
Tb2 O2W H2WA 109.1 . .
Tb2 O2W H2WA 102.2 2_567 .
Tb1 O1W Tb1 110.6(2) . 2_668
Tb1 O1W H1WA 109.3 . .
Tb1 O1W H1WA 103.1 2_668 .
Tb4 O4W Tb4 110.0(2) . 2_657
Tb4 O4W H4WA 109.1 . .
Tb4 O4W H4WA 94.6 2_657 .
Tb3 O3W Tb3 110.5(2) 2_556 .
Tb3 O3W H3WA 73.2 2_556 .
Tb3 O3W H3WA 109.1 . .
C1 N1 Tb1 114.5(6) . .
C1 N1 H1A 108.6 . .
Tb1 N1 H1A 108.6 . .
C1 N1 H1B 108.6 . .
Tb1 N1 H1B 108.6 . .
H1A N1 H1B 107.6 . .
C3 N2 C2 114.9(8) . .
C3 N2 Tb1 111.6(6) . .
C2 N2 Tb1 112.0(6) . .
C3 N2 H2C 105.8 . .
C2 N2 H2C 105.8 . .
Tb1 N2 H2C 105.8 . .
C5 N3 C4 112.1(8) . .
C5 N3 Tb1 117.3(6) . .
C4 N3 Tb1 111.3(6) . .
C5 N3 H3C 105.0 . .
C4 N3 H3C 105.0 . .
Tb1 N3 H3C 105.0 . .
C6 N4 C7 105.6(9) . .
C6 N4 Tb1 110.1(6) . .
C7 N4 Tb1 113.4(7) . .
C6 N4 H4C 109.2 . .
C7 N4 H4C 109.2 . .
Tb1 N4 H4C 109.2 . .
C8 N5 Tb1 115.1(6) . .
C8 N5 H5A 108.5 . .
Tb1 N5 H5A 108.5 . .
C8 N5 H5B 108.5 . .
Tb1 N5 H5B 108.5 . .
H5A N5 H5B 107.5 . .
C9 N6 Tb2 115.6(5) . .
C9 N6 H6A 108.4 . .
Tb2 N6 H6A 108.4 . .
C9 N6 H6B 108.4 . .
Tb2 N6 H6B 108.4 . .
H6A N6 H6B 107.5 . .
C11 N7 C10 113.3(7) . .
C11 N7 Tb2 110.1(5) . .
C10 N7 Tb2 113.4(5) . .
C11 N7 H7C 106.5 . .
C10 N7 H7C 106.5 . .
Tb2 N7 H7C 106.5 . .
C13 N8 C12 111.7(7) . .
C13 N8 Tb2 112.7(5) . .
C12 N8 Tb2 115.4(5) . .
C13 N8 H8C 105.3 . .
C12 N8 H8C 105.3 . .
Tb2 N8 H8C 105.3 . .
C15 N9 C14 112.5(7) . .
C15 N9 Tb2 111.7(5) . .
C14 N9 Tb2 111.3(5) . .
C15 N9 H9C 107.0 . .
C14 N9 H9C 107.0 . .
Tb2 N9 H9C 107.0 . .
C16 N10 Tb2 115.7(5) . .
C16 N10 H10A 108.3 . .
Tb2 N10 H10A 108.3 . .
C16 N10 H10B 108.3 . .
Tb2 N10 H10B 108.3 . .
H10A N10 H10B 107.4 . .
C17 N11 Tb3 109.2(8) . .
C17 N11 H11A 109.8 . .
Tb3 N11 H11A 109.8 . .
C17 N11 H11B 109.8 . .
Tb3 N11 H11B 109.8 . .
H11A N11 H11B 108.3 . .
C19 N12 C18 115.8(9) . .
C19 N12 Tb3 115.4(8) . .
C18 N12 Tb3 114.1(7) . .
C19 N12 H12C 103.0 . .
C18 N12 H12C 103.0 . .
Tb3 N12 H12C 103.0 . .
C20 N13 C21 97.7(9) . .
C20 N13 Tb3 113.4(8) . .
C21 N13 Tb3 115.3(7) . .
C20 N13 H13C 110.0 . .
C21 N13 H13C 110.0 . .
Tb3 N13 H13C 110.0 . .
C22 N14 C23 108.8(8) . .
C22 N14 Tb3 112.4(6) . .
C23 N14 Tb3 110.8(6) . .
C22 N14 H14C 108.3 . .
C23 N14 H14C 108.3 . .
Tb3 N14 H14C 108.3 . .
C24 N15 Tb3 115.6(6) . .
C24 N15 H15A 108.4 . .
Tb3 N15 H15A 108.4 . .
C24 N15 H15B 108.4 . .
Tb3 N15 H15B 108.4 . .
H15A N15 H15B 107.4 . .
C25 N16 Tb4 114.0(7) . .
C25 N16 H16A 108.8 . .
Tb4 N16 H16A 108.8 . .
C25 N16 H16B 108.8 . .
Tb4 N16 H16B 108.8 . .
H16A N16 H16B 107.7 . .
C26 N17 C27 112.2(8) . .
C26 N17 Tb4 117.2(6) . .
C27 N17 Tb4 114.2(6) . .
C26 N17 H17C 103.7 . .
C27 N17 H17C 103.7 . .
Tb4 N17 H17C 103.7 . .
C29 N18 C28 112.2(7) . .
C29 N18 Tb4 114.8(5) . .
C28 N18 Tb4 113.5(5) . .
C29 N18 H18C 105.1 . .
C28 N18 H18C 105.1 . .
Tb4 N18 H18C 105.1 . .
C30 N19 C31 111.7(6) . .
C30 N19 Tb4 111.9(5) . .
C31 N19 Tb4 112.5(5) . .
C30 N19 H19C 106.8 . .
C31 N19 H19C 106.8 . .
Tb4 N19 H19C 106.8 . .
C32 N20 Tb4 115.7(5) . .
C32 N20 H20A 108.3 . .
Tb4 N20 H20A 108.3 . .
C32 N20 H20B 108.3 . .
Tb4 N20 H20B 108.3 . .
H20A N20 H20B 107.4 . .
N1 C1 C2 111.8(9) . .
N1 C1 H1C 109.3 . .
C2 C1 H1C 109.3 . .
N1 C1 H1D 109.3 . .
C2 C1 H1D 109.3 . .
H1C C1 H1D 107.9 . .
C1 C2 N2 109.9(9) . .
C1 C2 H2A 109.7 . .
N2 C2 H2A 109.7 . .
C1 C2 H2B 109.7 . .
N2 C2 H2B 109.7 . .
H2A C2 H2B 108.2 . .
N2 C3 C4 109.9(8) . .
N2 C3 H3A 109.7 . .
C4 C3 H3A 109.7 . .
N2 C3 H3B 109.7 . .
C4 C3 H3B 109.7 . .
H3A C3 H3B 108.2 . .
N3 C4 C3 109.5(8) . .
N3 C4 H4A 109.8 . .
C3 C4 H4A 109.8 . .
N3 C4 H4B 109.8 . .
C3 C4 H4B 109.8 . .
H4A C4 H4B 108.2 . .
N3 C5 C6 109.0(9) . .
N3 C5 H5C 109.9 . .
C6 C5 H5C 109.9 . .
N3 C5 H5D 109.9 . .
C6 C5 H5D 109.9 . .
H5C C5 H5D 108.3 . .
N4 C6 C5 108.8(9) . .
N4 C6 H6C 109.9 . .
C5 C6 H6C 109.9 . .
N4 C6 H6D 109.9 . .
C5 C6 H6D 109.9 . .
H6C C6 H6D 108.3 . .
C8 C7 N4 113.2(10) . .
C8 C7 H7A 108.9 . .
N4 C7 H7A 108.9 . .
C8 C7 H7B 108.9 . .
N4 C7 H7B 108.9 . .
H7A C7 H7B 107.7 . .
C7 C8 N5 115.3(10) . .
C7 C8 H8A 108.4 . .
N5 C8 H8A 108.4 . .
C7 C8 H8B 108.4 . .
N5 C8 H8B 108.4 . .
H8A C8 H8B 107.5 . .
N6 C9 C10 109.1(7) . .
N6 C9 H9A 109.9 . .
C10 C9 H9A 109.9 . .
N6 C9 H9B 109.9 . .
C10 C9 H9B 109.9 . .
H9A C9 H9B 108.3 . .
N7 C10 C9 110.0(7) . .
N7 C10 H10C 109.7 . .
C9 C10 H10C 109.7 . .
N7 C10 H10D 109.7 . .
C9 C10 H10D 109.7 . .
H10C C10 H10D 108.2 . .
N7 C11 C12 110.1(7) . .
N7 C11 H11C 109.6 . .
C12 C11 H11C 109.6 . .
N7 C11 H11D 109.6 . .
C12 C11 H11D 109.6 . .
H11C C11 H11D 108.2 . .
N8 C12 C11 108.6(7) . .
N8 C12 H12A 110.0 . .
C11 C12 H12A 110.0 . .
N8 C12 H12B 110.0 . .
C11 C12 H12B 110.0 . .
H12A C12 H12B 108.3 . .
N8 C13 C14 110.7(7) . .
N8 C13 H13A 109.5 . .
C14 C13 H13A 109.5 . .
N8 C13 H13B 109.5 . .
C14 C13 H13B 109.5 . .
H13A C13 H13B 108.1 . .
N9 C14 C13 108.8(7) . .
N9 C14 H14A 109.9 . .
C13 C14 H14A 109.9 . .
N9 C14 H14B 109.9 . .
C13 C14 H14B 109.9 . .
H14A C14 H14B 108.3 . .
N9 C15 C16 111.7(7) . .
N9 C15 H15C 109.3 . .
C16 C15 H15C 109.3 . .
N9 C15 H15D 109.3 . .
C16 C15 H15D 109.3 . .
H15C C15 H15D 107.9 . .
C15 C16 N10 110.2(7) . .
C15 C16 H16C 109.6 . .
N10 C16 H16C 109.6 . .
C15 C16 H16D 109.6 . .
N10 C16 H16D 109.6 . .
H16C C16 H16D 108.1 . .
N11 C17 C18 107.1(11) . .
N11 C17 H17A 110.3 . .
C18 C17 H17A 110.3 . .
N11 C17 H17B 110.3 . .
C18 C17 H17B 110.3 . .
H17A C17 H17B 108.6 . .
N12 C18 C17 112.3(10) . .
N12 C18 H18A 109.1 . .
C17 C18 H18A 109.1 . .
N12 C18 H18B 109.1 . .
C17 C18 H18B 109.1 . .
H18A C18 H18B 107.9 . .
N12 C19 C20 112.9(10) . .
N12 C19 H19A 109.0 . .
C20 C19 H19A 109.0 . .
N12 C19 H19B 109.0 . .
C20 C19 H19B 109.0 . .
H19A C19 H19B 107.8 . .
N13 C20 C19 111.8(10) . .
N13 C20 H20C 109.3 . .
C19 C20 H20C 109.3 . .
N13 C20 H20D 109.3 . .
C19 C20 H20D 109.3 . .
H20C C20 H20D 107.9 . .
N13 C21 C22 111.9(9) . .
N13 C21 H21A 109.2 . .
C22 C21 H21A 109.2 . .
N13 C21 H21B 109.2 . .
C22 C21 H21B 109.2 . .
H21A C21 H21B 107.9 . .
N14 C22 C21 112.9(10) . .
N14 C22 H22A 109.0 . .
C21 C22 H22A 109.0 . .
N14 C22 H22B 109.0 . .
C21 C22 H22B 109.0 . .
H22A C22 H22B 107.8 . .
N14 C23 C24 111.8(8) . .
N14 C23 H23A 109.2 . .
C24 C23 H23A 109.2 . .
N14 C23 H23B 109.2 . .
C24 C23 H23B 109.2 . .
H23A C23 H23B 107.9 . .
N15 C24 C23 109.4(8) . .
N15 C24 H24A 109.8 . .
C23 C24 H24A 109.8 . .
N15 C24 H24B 109.8 . .
C23 C24 H24B 109.8 . .
H24A C24 H24B 108.2 . .
N20 C32 C31 108.6(7) . .
N20 C32 H32A 110.0 . .
C31 C32 H32A 110.0 . .
N20 C32 H32B 110.0 . .
C31 C32 H32B 110.0 . .
H32A C32 H32B 108.4 . .
N18 C29 C30 109.7(7) . .
N18 C29 H29A 109.7 . .
C30 C29 H29A 109.7 . .
N18 C29 H29B 109.7 . .
C30 C29 H29B 109.7 . .
H29A C29 H29B 108.2 . .
N19 C30 C29 109.9(7) . .
N19 C30 H30A 109.7 . .
C29 C30 H30A 109.7 . .
N19 C30 H30B 109.7 . .
C29 C30 H30B 109.7 . .
H30A C30 H30B 108.2 . .
N19 C31 C32 110.3(7) . .
N19 C31 H31A 109.6 . .
C32 C31 H31A 109.6 . .
N19 C31 H31B 109.6 . .
C32 C31 H31B 109.6 . .
H31A C31 H31B 108.1 . .
N17 C27 C28 111.7(8) . .
N17 C27 H27A 109.3 . .
C28 C27 H27A 109.3 . .
N17 C27 H27B 109.3 . .
C28 C27 H27B 109.3 . .
H27A C27 H27B 107.9 . .
N18 C28 C27 108.5(7) . .
N18 C28 H28A 110.0 . .
C27 C28 H28A 110.0 . .
N18 C28 H28B 110.0 . .
C27 C28 H28B 110.0 . .
H28A C28 H28B 108.4 . .
N17 C26 C25 115.8(10) . .
N17 C26 H26A 108.3 . .
C25 C26 H26A 108.3 . .
N17 C26 H26B 108.3 . .
C25 C26 H26B 108.3 . .
H26A C26 H26B 107.4 . .
N16 C25 C26 116.4(11) . .
N16 C25 H25A 108.2 . .
C26 C25 H25A 108.2 . .
N16 C25 H25B 108.2 . .
C26 C25 H25B 108.2 . .
H25A C25 H25B 107.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb4 O4W 2.244(5) .
Tb4 O4W 2.286(5) 2_657
Tb4 N20 2.542(7) .
Tb4 N19 2.571(7) .
Tb4 N18 2.577(7) .
Tb4 N17 2.596(8) .
Tb4 N16 2.598(8) .
Tb4 Cl2 2.718(2) .
Tb4 Tb4 3.7107(8) 2_657
Tb3 O3W 2.265(6) 2_556
Tb3 O3W 2.280(6) .
Tb3 N11 2.537(10) .
Tb3 N12 2.557(10) .
Tb3 N15 2.564(8) .
Tb3 N13 2.566(9) .
Tb3 N14 2.608(8) .
Tb3 Cl1 2.713(2) .
Tb3 Tb3 3.7336(8) 2_556
Sb1 Se5 2.4549(11) .
Sb1 Se6 2.4732(11) .
Sb1 Se8 2.4741(10) .
Sb1 Se7 2.5011(10) .
Sb2 Se3 2.4661(10) .
Sb2 Se4 2.4661(11) .
Sb2 Se1 2.4743(10) .
Sb2 Se2 2.4949(10) .
Tb1 O1W 2.256(5) .
Tb1 O1W 2.321(5) 2_668
Tb1 N3 2.530(8) .
Tb1 N5 2.534(7) .
Tb1 N2 2.539(8) .
Tb1 N1 2.541(8) .
Tb1 N4 2.579(9) .
Tb1 Se2 3.0500(10) .
Tb1 Tb1 3.7639(7) 2_668
Tb2 O2W 2.259(5) .
Tb2 O2W 2.314(5) 2_567
Tb2 N6 2.542(7) .
Tb2 N8 2.551(7) .
Tb2 N10 2.567(7) .
Tb2 N7 2.578(7) .
Tb2 N9 2.588(7) .
Tb2 Se7 3.0506(9) .
Tb2 Tb2 3.7500(8) 2_567
O2W Tb2 2.314(5) 2_567
O2W H2WA 0.8500 .
O1W Tb1 2.321(5) 2_668
O1W H1WA 0.8501 .
O4W Tb4 2.286(5) 2_657
O4W H4WA 0.8500 .
O3W Tb3 2.265(6) 2_556
O3W H3WA 0.8499 .
N1 C1 1.457(12) .
N1 H1A 0.9000 .
N1 H1B 0.9000 .
N2 C3 1.476(13) .
N2 C2 1.493(12) .
N2 H2C 0.9100 .
N3 C5 1.456(13) .
N3 C4 1.479(13) .
N3 H3C 0.9100 .
N4 C6 1.475(14) .
N4 C7 1.487(14) .
N4 H4C 0.9100 .
N5 C8 1.482(13) .
N5 H5A 0.9000 .
N5 H5B 0.9000 .
N6 C9 1.483(11) .
N6 H6A 0.9000 .
N6 H6B 0.9000 .
N7 C11 1.467(11) .
N7 C10 1.474(11) .
N7 H7C 0.9100 .
N8 C13 1.475(11) .
N8 C12 1.484(11) .
N8 H8C 0.9100 .
N9 C15 1.478(11) .
N9 C14 1.481(11) .
N9 H9C 0.9100 .
N10 C16 1.497(11) .
N10 H10A 0.9000 .
N10 H10B 0.9000 .
N11 C17 1.434(9) .
N11 H11A 0.9000 .
N11 H11B 0.9000 .
N12 C19 1.449(9) .
N12 C18 1.468(9) .
N12 H12C 0.9100 .
N13 C20 1.460(9) .
N13 C21 1.469(9) .
N13 H13C 0.9100 .
N14 C22 1.463(8) .
N14 C23 1.471(8) .
N14 H14C 0.9100 .
N15 C24 1.467(8) .
N15 H15A 0.9000 .
N15 H15B 0.9000 .
N16 C25 1.386(14) .
N16 H16A 0.9000 .
N16 H16B 0.9000 .
N17 C26 1.428(13) .
N17 C27 1.482(13) .
N17 H17C 0.9100 .
N18 C29 1.463(11) .
N18 C28 1.481(11) .
N18 H18C 0.9100 .
N19 C30 1.452(11) .
N19 C31 1.461(10) .
N19 H19C 0.9100 .
N20 C32 1.483(11) .
N20 H20A 0.9000 .
N20 H20B 0.9000 .
C1 C2 1.469(14) .
C1 H1C 0.9700 .
C1 H1D 0.9700 .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.519(14) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.484(16) .
C5 H5C 0.9700 .
C5 H5D 0.9700 .
C6 H6C 0.9700 .
C6 H6D 0.9700 .
C7 C8 1.406(16) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.493(12) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 H10C 0.9700 .
C10 H10D 0.9700 .
C11 C12 1.507(12) .
C11 H11C 0.9700 .
C11 H11D 0.9700 .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.498(12) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.491(12) .
C15 H15C 0.9700 .
C15 H15D 0.9700 .
C16 H16C 0.9700 .
C16 H16D 0.9700 .
C17 C18 1.516(9) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.535(9) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20C 0.9700 .
C20 H20D 0.9700 .
C21 C22 1.486(9) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.524(8) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C32 C31 1.519(8) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C29 C30 1.530(8) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C27 C28 1.527(8) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C26 C25 1.489(9) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
