#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:37:57 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180047 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/41/7034104.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_7034104
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 Y2, C16 H48 Cl2 N10 O2 Y2'
_chemical_formula_sum            'C32 H96 Cl2 N20 O4 Sb2 Se8 Y4'
_chemical_formula_weight         2127.03
_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                94.795(2)
_cell_angle_beta                 91.429(2)
_cell_angle_gamma                90.047(2)
_cell_formula_units_Z            2
_cell_length_a                   12.1347(11)
_cell_length_b                   16.1264(14)
_cell_length_c                   16.8510(15)
_cell_measurement_temperature    296(2)
_cell_volume                     3285.0(5)
_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  0.0417
_diffrn_reflns_av_sigmaI/netI    0.0376
_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            45020
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.21
_exptl_absorpt_coefficient_mu    8.866
_exptl_absorpt_correction_T_max  0.2972
_exptl_absorpt_correction_T_min  0.2056
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.151
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2048
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.950
_refine_diff_density_min         -1.219
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         11623
_refine_ls_number_restraints     894
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0325P)²+18.9060P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0782
_refine_ls_wR_factor_ref         0.0835
_reflns_number_gt                9659
_reflns_number_total             11623
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt00146c2.cif
_cod_data_source_block           IIa
_cod_depositor_comments
'Adding full bibliography for 7034101--7034109.cif.'
_cod_database_code               7034104
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
Sb1 Sb 0.09563(3) 0.70111(2) 0.27418(2) 0.01423(9) Uani 1 1 d .
Sb2 Sb 0.57118(3) 0.31457(2) 0.22057(2) 0.01700(9) Uani 1 1 d .
Y1 Y 0.57974(4) 0.54910(3) 0.42383(3) 0.01101(11) Uani 1 1 d .
Y2 Y 0.12284(4) 0.48410(3) 0.06532(3) 0.01240(11) Uani 1 1 d .
Y3 Y -0.06436(4) 1.07188(3) 0.43383(3) 0.01154(11) Uani 1 1 d .
Y4 Y 0.63181(5) 0.03640(3) -0.03793(3) 0.01790(13) Uani 1 1 d .
Se1 Se 0.46671(5) 0.42228(4) 0.30345(3) 0.01809(13) Uani 1 1 d .
Se2 Se 0.75208(5) 0.37139(4) 0.18665(4) 0.02717(15) Uani 1 1 d .
Se3 Se 0.59837(5) 0.19128(4) 0.29510(4) 0.02873(15) Uani 1 1 d .
Se4 Se 0.45577(5) 0.27934(4) 0.09906(4) 0.02432(14) Uani 1 1 d .
Se5 Se 0.11000(5) 0.66637(4) 0.12760(3) 0.01913(13) Uani 1 1 d .
Se6 Se 0.19335(5) 0.83511(4) 0.30135(4) 0.02289(14) Uani 1 1 d .
Se7 Se -0.10009(5) 0.71015(4) 0.30932(4) 0.02255(14) Uani 1 1 d .
Se8 Se 0.18640(5) 0.59286(4) 0.34844(3) 0.02092(13) Uani 1 1 d .
Cl1 Cl 0.13490(12) 1.12940(9) 0.39586(9) 0.0236(3) Uani 1 1 d .
O1W O 0.5918(3) 0.4737(2) 0.5288(2) 0.0133(8) Uani 1 1 d .
H1WA H 0.6227 0.5027 0.5676 0.020 Uiso 1 1 d R
O2W O -0.0518(3) 0.4467(2) 0.0388(2) 0.0152(8) Uani 1 1 d .
H2WA H -0.0540 0.3958 0.0210 0.023 Uiso 1 1 d R
O3W O -0.0309(3) 1.0479(2) 0.5602(2) 0.0145(8) Uani 1 1 d .
H3WA H -0.0889 1.0290 0.5795 0.022 Uiso 1 1 d R
O4W O 0.4923(4) 0.0690(3) 0.0429(3) 0.0250(10) Uani 1 1 d .
H4WA H 0.4460 0.0984 0.0192 0.038 Uiso 1 1 d R
N1 N 0.6523(4) 0.5933(3) 0.2931(3) 0.0170(9) Uani 1 1 d U
H1A H 0.7240 0.6066 0.3006 0.020 Uiso 1 1 calc R
H1B H 0.6481 0.5492 0.2567 0.020 Uiso 1 1 calc R
N2 N 0.4615(4) 0.6613(3) 0.3653(3) 0.0154(9) Uani 1 1 d U
H2C H 0.3901 0.6467 0.3720 0.019 Uiso 1 1 calc R
N3 N 0.5609(4) 0.6769(3) 0.5208(3) 0.0166(9) Uani 1 1 d U
H3C H 0.5375 0.6572 0.5666 0.020 Uiso 1 1 calc R
N4 N 0.7668(4) 0.6110(3) 0.4720(3) 0.0170(9) Uani 1 1 d U
H4C H 0.7858 0.6476 0.4363 0.020 Uiso 1 1 calc R
N5 N 0.7401(4) 0.4546(3) 0.3873(3) 0.0171(10) Uani 1 1 d U
H5A H 0.7381 0.4111 0.4175 0.020 Uiso 1 1 calc R
H5B H 0.7304 0.4343 0.3362 0.020 Uiso 1 1 calc R
N6 N 0.0558(4) 0.4635(3) 0.2029(3) 0.0216(10) Uani 1 1 d U
H6C H 0.0768 0.5078 0.2360 0.026 Uiso 1 1 calc R
H6D H -0.0184 0.4624 0.2011 0.026 Uiso 1 1 calc R
N7 N 0.1588(5) 0.3363(3) 0.1054(3) 0.0317(11) Uani 1 1 d U
H7C H 0.2320 0.3321 0.1175 0.038 Uiso 1 1 calc R
N8 N 0.1537(4) 0.3799(3) -0.0502(3) 0.0254(11) Uani 1 1 d U
H8C H 0.0867 0.3732 -0.0754 0.031 Uiso 1 1 calc R
N9 N 0.2864(4) 0.5262(3) -0.0116(3) 0.0236(10) Uani 1 1 d U
H9C H 0.2619 0.5661 -0.0429 0.028 Uiso 1 1 calc R
N10 N 0.2948(4) 0.5028(3) 0.1527(3) 0.0229(10) Uani 1 1 d U
H10A H 0.2861 0.5477 0.1874 0.027 Uiso 1 1 calc R
H10B H 0.3024 0.4582 0.1810 0.027 Uiso 1 1 calc R
N11 N -0.2572(4) 1.1059(3) 0.4874(3) 0.0275(11) Uani 1 1 d U
H11C H -0.2509 1.1416 0.5312 0.033 Uiso 1 1 calc R
H11D H -0.2972 1.1307 0.4504 0.033 Uiso 1 1 calc R
N12 N -0.2102(4) 0.9552(3) 0.4020(3) 0.0290(11) Uani 1 1 d U
H12C H -0.1813 0.9102 0.4242 0.035 Uiso 1 1 calc R
N13 N -0.0684(4) 1.0164(3) 0.2876(3) 0.0185(10) Uani 1 1 d U
H13C H 0.0035 1.0112 0.2739 0.022 Uiso 1 1 calc R
N14 N -0.1225(4) 1.1824(3) 0.3419(3) 0.0170(9) Uani 1 1 d U
H14C H -0.1975 1.1824 0.3395 0.020 Uiso 1 1 calc R
N15 N -0.0623(4) 1.2166(3) 0.5040(3) 0.0213(10) Uani 1 1 d U
H15C H -0.0963 1.2149 0.5507 0.026 Uiso 1 1 calc R
H15D H 0.0082 1.2316 0.5151 0.026 Uiso 1 1 calc R
N16 N 0.5851(6) 0.1812(4) -0.0776(4) 0.0574(15) Uani 1 1 d U
H16C H 0.5761 0.2160 -0.0336 0.069 Uiso 1 1 calc R
H16D H 0.6407 0.2007 -0.1051 0.069 Uiso 1 1 calc R
N17 N 0.5428(6) 0.0352(5) -0.1754(4) 0.0618(15) Uani 1 1 d U
H17C H 0.4797 0.0058 -0.1704 0.074 Uiso 1 1 calc R
N18 N 0.7201(6) -0.0694(4) -0.1354(4) 0.0539(15) Uani 1 1 d U
H18C H 0.7371 -0.1165 -0.1115 0.065 Uiso 1 1 calc R
N19 N 0.8212(5) 0.0855(4) -0.0840(3) 0.0335(12) Uani 1 1 d U
H19C H 0.8086 0.1247 -0.1190 0.040 Uiso 1 1 calc R
N20 N 0.7210(5) 0.1444(4) 0.0623(4) 0.0380(13) Uani 1 1 d U
H20C H 0.6705 0.1833 0.0766 0.046 Uiso 1 1 calc R
H20D H 0.7409 0.1194 0.1062 0.046 Uiso 1 1 calc R
C1 C 0.5952(5) 0.6641(4) 0.2595(4) 0.0222(12) Uani 1 1 d U
H1C H 0.6034 0.6603 0.2022 0.027 Uiso 1 1 calc R
H1D H 0.6286 0.7160 0.2816 0.027 Uiso 1 1 calc R
C2 C 0.4751(5) 0.6636(4) 0.2786(3) 0.0196(11) Uani 1 1 d U
H2A H 0.4400 0.7131 0.2608 0.024 Uiso 1 1 calc R
H2B H 0.4396 0.6154 0.2506 0.024 Uiso 1 1 calc R
C3 C 0.4773(5) 0.7437(4) 0.4093(4) 0.0222(11) Uani 1 1 d U
H3A H 0.4198 0.7815 0.3940 0.027 Uiso 1 1 calc R
H3B H 0.5480 0.7669 0.3969 0.027 Uiso 1 1 calc R
C4 C 0.4730(5) 0.7335(4) 0.4969(4) 0.0206(11) Uani 1 1 d U
H4A H 0.4819 0.7873 0.5266 0.025 Uiso 1 1 calc R
H4B H 0.4017 0.7111 0.5091 0.025 Uiso 1 1 calc R
C5 C 0.6640(5) 0.7217(4) 0.5435(4) 0.0223(12) Uani 1 1 d U
H5C H 0.6560 0.7537 0.5944 0.027 Uiso 1 1 calc R
H5D H 0.6806 0.7600 0.5039 0.027 Uiso 1 1 calc R
C6 C 0.7568(5) 0.6599(4) 0.5493(4) 0.0211(11) Uani 1 1 d U
H6A H 0.8253 0.6890 0.5634 0.025 Uiso 1 1 calc R
H6B H 0.7417 0.6231 0.5905 0.025 Uiso 1 1 calc R
C7 C 0.8561(5) 0.5493(4) 0.4728(4) 0.0188(11) Uani 1 1 d U
H7A H 0.8486 0.5165 0.5181 0.023 Uiso 1 1 calc R
H7B H 0.9268 0.5775 0.4779 0.023 Uiso 1 1 calc R
C8 C 0.8507(5) 0.4930(4) 0.3968(4) 0.0184(11) Uani 1 1 d U
H8A H 0.8650 0.5248 0.3518 0.022 Uiso 1 1 calc R
H8B H 0.9064 0.4500 0.3986 0.022 Uiso 1 1 calc R
C9 C 0.0959(7) 0.3873(5) 0.2367(4) 0.0389(15) Uani 1 1 d U
H9A H 0.1701 0.3967 0.2584 0.047 Uiso 1 1 calc R
H9B H 0.0491 0.3746 0.2800 0.047 Uiso 1 1 calc R
C10 C 0.0962(7) 0.3165(5) 0.1768(5) 0.0446(16) Uani 1 1 d U
H10C H 0.0209 0.3018 0.1607 0.054 Uiso 1 1 calc R
H10D H 0.1296 0.2690 0.1996 0.054 Uiso 1 1 calc R
C11 C 0.1318(6) 0.2738(4) 0.0398(5) 0.0378(14) Uani 1 1 d U
H11A H 0.0526 0.2717 0.0302 0.045 Uiso 1 1 calc R
H11B H 0.1560 0.2194 0.0535 0.045 Uiso 1 1 calc R
C12 C 0.1872(6) 0.2957(4) -0.0327(4) 0.0334(14) Uani 1 1 d U
H12A H 0.2665 0.2937 -0.0245 0.040 Uiso 1 1 calc R
H12B H 0.1669 0.2561 -0.0772 0.040 Uiso 1 1 calc R
C13 C 0.2251(5) 0.4146(4) -0.1085(4) 0.0283(13) Uani 1 1 d U
H13A H 0.1841 0.4545 -0.1374 0.034 Uiso 1 1 calc R
H13B H 0.2496 0.3704 -0.1465 0.034 Uiso 1 1 calc R
C14 C 0.3241(5) 0.4570(4) -0.0658(4) 0.0301(13) Uani 1 1 d U
H14A H 0.3644 0.4174 -0.0360 0.036 Uiso 1 1 calc R
H14B H 0.3731 0.4775 -0.1044 0.036 Uiso 1 1 calc R
C15 C 0.3749(5) 0.5658(4) 0.0414(4) 0.0258(12) Uani 1 1 d U
H15A H 0.3522 0.6211 0.0618 0.031 Uiso 1 1 calc R
H15B H 0.4416 0.5711 0.0117 0.031 Uiso 1 1 calc R
C16 C 0.3967(5) 0.5133(4) 0.1091(4) 0.0259(13) Uani 1 1 d U
H16A H 0.4240 0.4593 0.0889 0.031 Uiso 1 1 calc R
H16B H 0.4527 0.5396 0.1449 0.031 Uiso 1 1 calc R
C17 C -0.3144(7) 1.0305(5) 0.5071(6) 0.0539(18) Uani 1 1 d U
H17A H -0.2769 1.0081 0.5520 0.065 Uiso 1 1 calc R
H17B H -0.3891 1.0444 0.5223 0.065 Uiso 1 1 calc R
C18 C -0.3173(6) 0.9688(5) 0.4405(5) 0.0455(16) Uani 1 1 d U
H18A H -0.3707 0.9856 0.4011 0.055 Uiso 1 1 calc R
H18B H -0.3424 0.9166 0.4584 0.055 Uiso 1 1 calc R
C19 C -0.2238(5) 0.9280(4) 0.3162(4) 0.0286(13) Uani 1 1 d U
H19A H -0.2771 0.9634 0.2918 0.034 Uiso 1 1 calc R
H19B H -0.2517 0.8714 0.3101 0.034 Uiso 1 1 calc R
C20 C -0.1157(5) 0.9320(4) 0.2744(4) 0.0248(12) Uani 1 1 d U
H20A H -0.0646 0.8920 0.2946 0.030 Uiso 1 1 calc R
H20B H -0.1273 0.9177 0.2177 0.030 Uiso 1 1 calc R
C21 C -0.1179(5) 1.0746(4) 0.2332(3) 0.0214(11) Uani 1 1 d U
H21A H -0.1975 1.0694 0.2326 0.026 Uiso 1 1 calc R
H21B H -0.0929 1.0606 0.1795 0.026 Uiso 1 1 calc R
C22 C -0.0850(5) 1.1627(4) 0.2604(3) 0.0213(12) Uani 1 1 d U
H22A H -0.0056 1.1687 0.2589 0.026 Uiso 1 1 calc R
H22B H -0.1182 1.2008 0.2251 0.026 Uiso 1 1 calc R
C23 C -0.0872(5) 1.2666(4) 0.3731(4) 0.0213(12) Uani 1 1 d U
H23A H -0.1243 1.3077 0.3432 0.026 Uiso 1 1 calc R
H23B H -0.0084 1.2726 0.3671 0.026 Uiso 1 1 calc R
C24 C -0.1147(5) 1.2809(4) 0.4597(4) 0.0216(12) Uani 1 1 d U
H24A H -0.0887 1.3354 0.4808 0.026 Uiso 1 1 calc R
H24B H -0.1940 1.2789 0.4655 0.026 Uiso 1 1 calc R
C25 C 0.4902(9) 0.1783(7) -0.1234(7) 0.075(2) Uani 1 1 d U
H25A H 0.4740 0.2334 -0.1393 0.090 Uiso 1 1 calc R
H25B H 0.4295 0.1611 -0.0921 0.090 Uiso 1 1 calc R
C26 C 0.4993(8) 0.1215(6) -0.1931(6) 0.070(2) Uani 1 1 d U
H26A H 0.5484 0.1454 -0.2297 0.085 Uiso 1 1 calc R
H26B H 0.4274 0.1150 -0.2192 0.085 Uiso 1 1 calc R
C27 C 0.5958(9) -0.0117(6) -0.2366(6) 0.0749(19) Uani 1 1 d U
H27A H 0.6507 0.0229 -0.2587 0.090 Uiso 1 1 calc R
H27B H 0.5422 -0.0283 -0.2786 0.090 Uiso 1 1 calc R
C28 C 0.6518(9) -0.0895(6) -0.2087(6) 0.069(2) Uani 1 1 d U
H28A H 0.5961 -0.1301 -0.1984 0.083 Uiso 1 1 calc R
H28B H 0.6980 -0.1139 -0.2506 0.083 Uiso 1 1 calc R
C29 C 0.8205(8) -0.0372(6) -0.1759(6) 0.0684(18) Uani 1 1 d U
H29A H 0.8662 -0.0840 -0.1942 0.082 Uiso 1 1 calc R
H29B H 0.7964 -0.0094 -0.2221 0.082 Uiso 1 1 calc R
C30 C 0.8826(7) 0.0176(5) -0.1254(5) 0.0473(16) Uani 1 1 d U
H30A H 0.9393 0.0416 -0.1561 0.057 Uiso 1 1 calc R
H30B H 0.9195 -0.0137 -0.0858 0.057 Uiso 1 1 calc R
C31 C 0.8862(6) 0.1249(5) -0.0161(4) 0.0370(15) Uani 1 1 d U
H31A H 0.9493 0.1532 -0.0357 0.044 Uiso 1 1 calc R
H31B H 0.9135 0.0823 0.0167 0.044 Uiso 1 1 calc R
C32 C 0.8185(6) 0.1861(5) 0.0334(5) 0.0387(15) Uani 1 1 d U
H32A H 0.8625 0.2101 0.0783 0.046 Uiso 1 1 calc R
H32B H 0.7951 0.2307 0.0017 0.046 Uiso 1 1 calc R
Cl2 Cl 0.75190(19) -0.05381(11) 0.06091(12) 0.0527(6) Uani 1 1 d .
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'
Y Y -2.7962 3.5667 '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'
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
Se7 Sb1 Se6 112.53(2) . .
Se7 Sb1 Se8 109.19(2) . .
Se6 Sb1 Se8 110.13(3) . .
Se7 Sb1 Se5 109.47(2) . .
Se6 Sb1 Se5 105.01(2) . .
Se8 Sb1 Se5 110.45(2) . .
Se3 Sb2 Se2 109.86(3) . .
Se3 Sb2 Se4 110.44(3) . .
Se2 Sb2 Se4 111.02(3) . .
Se3 Sb2 Se1 109.40(3) . .
Se2 Sb2 Se1 109.91(3) . .
Se4 Sb2 Se1 106.13(2) . .
O1W Y1 O1W 69.63(15) . 2_666
O1W Y1 N5 78.43(14) . .
O1W Y1 N5 133.30(14) 2_666 .
O1W Y1 N3 87.78(14) . .
O1W Y1 N3 79.81(14) 2_666 .
N5 Y1 N3 132.88(15) . .
O1W Y1 N1 151.47(14) . .
O1W Y1 N1 134.66(14) 2_666 .
N5 Y1 N1 73.26(15) . .
N3 Y1 N1 108.97(15) . .
O1W Y1 N2 141.40(14) . .
O1W Y1 N2 76.55(14) 2_666 .
N5 Y1 N2 140.03(15) . .
N3 Y1 N2 68.05(15) . .
N1 Y1 N2 67.11(15) . .
O1W Y1 N4 86.11(14) . .
O1W Y1 N4 139.87(14) 2_666 .
N5 Y1 N4 66.89(15) . .
N3 Y1 N4 67.39(15) . .
N1 Y1 N4 79.76(15) . .
N2 Y1 N4 109.66(15) . .
O1W Y1 Se1 99.63(10) . .
O1W Y1 Se1 73.54(9) 2_666 .
N5 Y1 Se1 79.47(11) . .
N3 Y1 Se1 147.60(11) . .
N1 Y1 Se1 78.75(11) . .
N2 Y1 Se1 87.82(11) . .
N4 Y1 Se1 144.07(11) . .
O1W Y1 Y1 35.33(9) . 2_666
O1W Y1 Y1 34.30(9) 2_666 2_666
N5 Y1 Y1 107.61(11) . 2_666
N3 Y1 Y1 82.39(11) . 2_666
N1 Y1 Y1 164.09(11) . 2_666
N2 Y1 Y1 109.04(11) . 2_666
N4 Y1 Y1 115.52(11) . 2_666
Se1 Y1 Y1 85.75(2) . 2_666
O2W Y2 O2W 69.59(15) . 2_565
O2W Y2 N8 81.45(15) . .
O2W Y2 N8 78.74(15) 2_565 .
O2W Y2 N9 137.22(15) . .
O2W Y2 N9 74.04(15) 2_565 .
N8 Y2 N9 69.91(17) . .
O2W Y2 N6 78.66(15) . .
O2W Y2 N6 133.22(15) 2_565 .
N8 Y2 N6 129.96(17) . .
N9 Y2 N6 144.09(16) . .
O2W Y2 N10 154.38(15) . .
O2W Y2 N10 133.58(15) 2_565 .
N8 Y2 N10 110.83(17) . .
N9 Y2 N10 68.05(16) . .
N6 Y2 N10 76.33(16) . .
O2W Y2 N7 88.07(17) . .
O2W Y2 N7 141.03(16) 2_565 .
N8 Y2 N7 66.29(18) . .
N9 Y2 N7 107.47(18) . .
N6 Y2 N7 67.59(17) . .
N10 Y2 N7 77.40(19) . .
O2W Y2 Se5 104.44(10) . .
O2W Y2 Se5 74.09(10) 2_565 .
N8 Y2 Se5 147.80(13) . .
N9 Y2 Se5 86.08(13) . .
N6 Y2 Se5 81.94(12) . .
N10 Y2 Se5 77.49(13) . .
N7 Y2 Se5 144.20(13) . .
O2W Y2 Y2 35.50(10) . 2_565
O2W Y2 Y2 34.09(9) 2_565 2_565
N8 Y2 Y2 77.89(12) . 2_565
N9 Y2 Y2 105.58(12) . 2_565
N6 Y2 Y2 107.86(12) . 2_565
N10 Y2 Y2 165.10(13) . 2_565
N7 Y2 Y2 117.49(14) . 2_565
Se5 Y2 Y2 88.81(2) . 2_565
O3W Y3 O3W 70.03(15) . 2_576
O3W Y3 N15 77.29(14) . .
O3W Y3 N15 137.73(15) 2_576 .
O3W Y3 N14 144.14(14) . .
O3W Y3 N14 143.68(14) 2_576 .
N15 Y3 N14 67.52(15) . .
O3W Y3 N13 148.13(14) . .
O3W Y3 N13 78.94(14) 2_576 .
N15 Y3 N13 133.47(16) . .
N14 Y3 N13 67.71(15) . .
O3W Y3 N11 81.93(16) . .
O3W Y3 N11 127.71(15) 2_576 .
N15 Y3 N11 70.87(17) . .
N14 Y3 N11 80.35(17) . .
N13 Y3 N11 112.99(17) . .
O3W Y3 N12 97.13(16) . .
O3W Y3 N12 75.34(16) 2_576 .
N15 Y3 N12 136.07(17) . .
N14 Y3 N12 103.25(17) . .
N13 Y3 N12 67.32(17) . .
N11 Y3 N12 65.21(17) . .
O3W Y3 Cl1 100.03(10) . .
O3W Y3 Cl1 82.07(10) 2_576 .
N15 Y3 Cl1 77.93(13) . .
N14 Y3 Cl1 79.67(11) . .
N13 Y3 Cl1 82.31(12) . .
N11 Y3 Cl1 147.54(12) . .
N12 Y3 Cl1 144.87(13) . .
O3W Y3 Y3 35.34(9) . 2_576
O3W Y3 Y3 34.69(9) 2_576 2_576
N15 Y3 Y3 108.80(11) . 2_576
N14 Y3 Y3 170.63(11) . 2_576
N13 Y3 Y3 113.34(11) . 2_576
N11 Y3 Y3 106.94(13) . 2_576
N12 Y3 Y3 85.38(13) . 2_576
Cl1 Y3 Y3 91.17(4) . 2_576
O4W Y4 O4W 69.32(17) . 2_655
O4W Y4 N18 148.06(18) . .
O4W Y4 N18 78.75(17) 2_655 .
O4W Y4 N17 103.2(2) . .
O4W Y4 N17 75.51(19) 2_655 .
N18 Y4 N17 68.3(3) . .
O4W Y4 N16 79.50(19) . .
O4W Y4 N16 123.3(2) 2_655 .
N18 Y4 N16 120.7(3) . .
N17 Y4 N16 67.0(3) . .
O4W Y4 N20 78.36(17) . .
O4W Y4 N20 139.93(16) 2_655 .
N18 Y4 N20 129.7(2) . .
N17 Y4 N20 136.5(2) . .
N16 Y4 N20 70.8(2) . .
O4W Y4 N19 144.32(17) . .
O4W Y4 N19 146.13(16) 2_655 .
N18 Y4 N19 67.49(18) . .
N17 Y4 N19 93.8(2) . .
N16 Y4 N19 78.8(2) . .
N20 Y4 N19 67.90(18) . .
O4W Y4 Cl2 98.11(12) . .
O4W Y4 Cl2 85.97(12) 2_655 .
N18 Y4 Cl2 78.5(2) . .
N17 Y4 Cl2 144.3(2) . .
N16 Y4 Cl2 146.04(19) . .
N20 Y4 Cl2 75.56(15) . .
N19 Y4 Cl2 84.79(15) . .
O4W Y4 Y4 34.93(11) . 2_655
O4W Y4 Y4 34.40(10) 2_655 2_655
N18 Y4 Y4 113.14(14) . 2_655
N17 Y4 Y4 89.15(17) . 2_655
N16 Y4 Y4 103.05(17) . 2_655
N20 Y4 Y4 110.27(13) . 2_655
N19 Y4 Y4 176.97(14) . 2_655
Cl2 Y4 Y4 92.42(6) . 2_655
Sb2 Se1 Y1 122.69(3) . .
Sb1 Se5 Y2 118.49(2) . .
Y1 O1W Y1 110.37(15) . 2_666
Y1 O1W H1WA 109.2 . .
Y1 O1W H1WA 102.3 2_666 .
Y2 O2W Y2 110.41(15) . 2_565
Y2 O2W H2WA 109.2 . .
Y2 O2W H2WA 103.7 2_565 .
Y3 O3W Y3 109.97(15) . 2_576
Y3 O3W H3WA 109.2 . .
Y3 O3W H3WA 94.4 2_576 .
Y4 O4W Y4 110.68(17) . 2_655
Y4 O4W H4WA 109.2 . .
Y4 O4W H4WA 89.9 2_655 .
C1 N1 Y1 116.2(3) . .
C1 N1 H1A 108.2 . .
Y1 N1 H1A 108.2 . .
C1 N1 H1B 108.2 . .
Y1 N1 H1B 108.2 . .
H1A N1 H1B 107.4 . .
C3 N2 C2 112.6(4) . .
C3 N2 Y1 112.2(3) . .
C2 N2 Y1 112.5(3) . .
C3 N2 H2C 106.3 . .
C2 N2 H2C 106.3 . .
Y1 N2 H2C 106.3 . .
C5 N3 C4 112.0(5) . .
C5 N3 Y1 115.6(3) . .
C4 N3 Y1 112.8(3) . .
C5 N3 H3C 105.1 . .
C4 N3 H3C 105.1 . .
Y1 N3 H3C 105.1 . .
C6 N4 C7 112.4(4) . .
C6 N4 Y1 110.7(3) . .
C7 N4 Y1 113.7(3) . .
C6 N4 H4C 106.5 . .
C7 N4 H4C 106.5 . .
Y1 N4 H4C 106.5 . .
C8 N5 Y1 116.0(3) . .
C8 N5 H5A 108.3 . .
Y1 N5 H5A 108.3 . .
C8 N5 H5B 108.3 . .
Y1 N5 H5B 108.3 . .
H5A N5 H5B 107.4 . .
C9 N6 Y2 114.9(4) . .
C9 N6 H6C 108.5 . .
Y2 N6 H6C 108.5 . .
C9 N6 H6D 108.5 . .
Y2 N6 H6D 108.5 . .
H6C N6 H6D 107.5 . .
C11 N7 C10 108.6(6) . .
C11 N7 Y2 111.4(4) . .
C10 N7 Y2 113.0(4) . .
C11 N7 H7C 107.9 . .
C10 N7 H7C 107.9 . .
Y2 N7 H7C 107.9 . .
C12 N8 C13 112.3(5) . .
C12 N8 Y2 117.6(4) . .
C13 N8 Y2 110.7(4) . .
C12 N8 H8C 105.0 . .
C13 N8 H8C 105.0 . .
Y2 N8 H8C 105.0 . .
C14 N9 C15 114.2(5) . .
C14 N9 Y2 111.0(4) . .
C15 N9 Y2 112.1(4) . .
C14 N9 H9C 106.3 . .
C15 N9 H9C 106.3 . .
Y2 N9 H9C 106.3 . .
C16 N10 Y2 114.5(4) . .
C16 N10 H10A 108.6 . .
Y2 N10 H10A 108.6 . .
C16 N10 H10B 108.6 . .
Y2 N10 H10B 108.6 . .
H10A N10 H10B 107.6 . .
C17 N11 Y3 111.3(4) . .
C17 N11 H11C 109.4 . .
Y3 N11 H11C 109.4 . .
C17 N11 H11D 109.4 . .
Y3 N11 H11D 109.4 . .
H11C N11 H11D 108.0 . .
C18 N12 C19 111.8(5) . .
C18 N12 Y3 115.7(4) . .
C19 N12 Y3 114.2(4) . .
C18 N12 H12C 104.5 . .
C19 N12 H12C 104.5 . .
Y3 N12 H12C 104.5 . .
C20 N13 C21 112.4(5) . .
C20 N13 Y3 112.9(4) . .
C21 N13 Y3 114.0(3) . .
C20 N13 H13C 105.6 . .
C21 N13 H13C 105.6 . .
Y3 N13 H13C 105.6 . .
C22 N14 C23 111.1(5) . .
C22 N14 Y3 112.0(3) . .
C23 N14 Y3 112.4(3) . .
C22 N14 H14C 107.0 . .
C23 N14 H14C 107.0 . .
Y3 N14 H14C 107.0 . .
C24 N15 Y3 115.3(3) . .
C24 N15 H15C 108.4 . .
Y3 N15 H15C 108.4 . .
C24 N15 H15D 108.4 . .
Y3 N15 H15D 108.4 . .
H15C N15 H15D 107.5 . .
C25 N16 Y4 109.8(6) . .
C25 N16 H16C 109.7 . .
Y4 N16 H16C 109.7 . .
C25 N16 H16D 109.7 . .
Y4 N16 H16D 109.7 . .
H16C N16 H16D 108.2 . .
C27 N17 C26 117.5(8) . .
C27 N17 Y4 116.4(6) . .
C26 N17 Y4 112.1(6) . .
C27 N17 H17C 102.7 . .
C26 N17 H17C 102.7 . .
Y4 N17 H17C 102.7 . .
C28 N18 C29 97.0(7) . .
C28 N18 Y4 113.1(6) . .
C29 N18 Y4 114.3(5) . .
C28 N18 H18C 110.6 . .
C29 N18 H18C 110.6 . .
Y4 N18 H18C 110.6 . .
C30 N19 C31 111.0(6) . .
C30 N19 Y4 112.0(4) . .
C31 N19 Y4 110.6(4) . .
C30 N19 H19C 107.7 . .
C31 N19 H19C 107.7 . .
Y4 N19 H19C 107.7 . .
C32 N20 Y4 114.7(4) . .
C32 N20 H20C 108.6 . .
Y4 N20 H20C 108.6 . .
C32 N20 H20D 108.6 . .
Y4 N20 H20D 108.6 . .
H20C N20 H20D 107.6 . .
N1 C1 C2 110.4(5) . .
N1 C1 H1C 109.6 . .
C2 C1 H1C 109.6 . .
N1 C1 H1D 109.6 . .
C2 C1 H1D 109.6 . .
H1C C1 H1D 108.1 . .
N2 C2 C1 110.2(5) . .
N2 C2 H2A 109.6 . .
C1 C2 H2A 109.6 . .
N2 C2 H2B 109.6 . .
C1 C2 H2B 109.6 . .
H2A C2 H2B 108.1 . .
N2 C3 C4 108.5(5) . .
N2 C3 H3A 110.0 . .
C4 C3 H3A 110.0 . .
N2 C3 H3B 110.0 . .
C4 C3 H3B 110.0 . .
H3A C3 H3B 108.4 . .
N3 C4 C3 110.4(5) . .
N3 C4 H4A 109.6 . .
C3 C4 H4A 109.6 . .
N3 C4 H4B 109.6 . .
C3 C4 H4B 109.6 . .
H4A C4 H4B 108.1 . .
N3 C5 C6 109.4(5) . .
N3 C5 H5C 109.8 . .
C6 C5 H5C 109.8 . .
N3 C5 H5D 109.8 . .
C6 C5 H5D 109.8 . .
H5C C5 H5D 108.3 . .
N4 C6 C5 109.1(5) . .
N4 C6 H6A 109.9 . .
C5 C6 H6A 109.9 . .
N4 C6 H6B 109.9 . .
C5 C6 H6B 109.9 . .
H6A C6 H6B 108.3 . .
N4 C7 C8 109.6(5) . .
N4 C7 H7A 109.7 . .
C8 C7 H7A 109.7 . .
N4 C7 H7B 109.7 . .
C8 C7 H7B 109.7 . .
H7A C7 H7B 108.2 . .
N5 C8 C7 109.1(5) . .
N5 C8 H8A 109.9 . .
C7 C8 H8A 109.9 . .
N5 C8 H8B 109.9 . .
C7 C8 H8B 109.9 . .
H8A C8 H8B 108.3 . .
C10 C9 N6 111.6(6) . .
C10 C9 H9A 109.3 . .
N6 C9 H9A 109.3 . .
C10 C9 H9B 109.3 . .
N6 C9 H9B 109.3 . .
H9A C9 H9B 108.0 . .
C9 C10 N7 111.1(6) . .
C9 C10 H10C 109.4 . .
N7 C10 H10C 109.4 . .
C9 C10 H10D 109.4 . .
N7 C10 H10D 109.4 . .
H10C C10 H10D 108.0 . .
N7 C11 C12 109.3(6) . .
N7 C11 H11A 109.8 . .
C12 C11 H11A 109.8 . .
N7 C11 H11B 109.8 . .
C12 C11 H11B 109.8 . .
H11A C11 H11B 108.3 . .
N8 C12 C11 108.9(5) . .
N8 C12 H12A 109.9 . .
C11 C12 H12A 109.9 . .
N8 C12 H12B 109.9 . .
C11 C12 H12B 109.9 . .
H12A C12 H12B 108.3 . .
N8 C13 C14 109.7(5) . .
N8 C13 H13A 109.7 . .
C14 C13 H13A 109.7 . .
N8 C13 H13B 109.7 . .
C14 C13 H13B 109.7 . .
H13A C13 H13B 108.2 . .
N9 C14 C13 109.2(5) . .
N9 C14 H14A 109.8 . .
C13 C14 H14A 109.8 . .
N9 C14 H14B 109.8 . .
C13 C14 H14B 109.8 . .
H14A C14 H14B 108.3 . .
N9 C15 C16 109.2(5) . .
N9 C15 H15A 109.8 . .
C16 C15 H15A 109.8 . .
N9 C15 H15B 109.8 . .
C16 C15 H15B 109.8 . .
H15A C15 H15B 108.3 . .
N10 C16 C15 110.0(5) . .
N10 C16 H16A 109.7 . .
C15 C16 H16A 109.7 . .
N10 C16 H16B 109.7 . .
C15 C16 H16B 109.7 . .
H16A C16 H16B 108.2 . .
C18 C17 N11 111.0(7) . .
C18 C17 H17A 109.4 . .
N11 C17 H17A 109.4 . .
C18 C17 H17B 109.4 . .
N11 C17 H17B 109.4 . .
H17A C17 H17B 108.0 . .
C17 C18 N12 114.0(6) . .
C17 C18 H18A 108.8 . .
N12 C18 H18A 108.8 . .
C17 C18 H18B 108.8 . .
N12 C18 H18B 108.8 . .
H18A C18 H18B 107.6 . .
N12 C19 C20 111.0(5) . .
N12 C19 H19A 109.4 . .
C20 C19 H19A 109.4 . .
N12 C19 H19B 109.4 . .
C20 C19 H19B 109.4 . .
H19A C19 H19B 108.0 . .
N13 C20 C19 110.0(5) . .
N13 C20 H20A 109.7 . .
C19 C20 H20A 109.7 . .
N13 C20 H20B 109.7 . .
C19 C20 H20B 109.7 . .
H20A C20 H20B 108.2 . .
N13 C21 C22 110.0(5) . .
N13 C21 H21A 109.7 . .
C22 C21 H21A 109.7 . .
N13 C21 H21B 109.7 . .
C22 C21 H21B 109.7 . .
H21A C21 H21B 108.2 . .
N14 C22 C21 108.9(5) . .
N14 C22 H22A 109.9 . .
C21 C22 H22A 109.9 . .
N14 C22 H22B 109.9 . .
C21 C22 H22B 109.9 . .
H22A C22 H22B 108.3 . .
N14 C23 C24 109.8(5) . .
N14 C23 H23A 109.7 . .
C24 C23 H23A 109.7 . .
N14 C23 H23B 109.7 . .
C24 C23 H23B 109.7 . .
H23A C23 H23B 108.2 . .
N15 C24 C23 109.4(5) . .
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 . .
N16 C25 C26 111.8(9) . .
N16 C25 H25A 109.3 . .
C26 C25 H25A 109.3 . .
N16 C25 H25B 109.3 . .
C26 C25 H25B 109.3 . .
H25A C25 H25B 107.9 . .
C25 C26 N17 113.6(7) . .
C25 C26 H26A 108.8 . .
N17 C26 H26A 108.8 . .
C25 C26 H26B 108.8 . .
N17 C26 H26B 108.8 . .
H26A C26 H26B 107.7 . .
N17 C27 C28 113.0(8) . .
N17 C27 H27A 109.0 . .
C28 C27 H27A 109.0 . .
N17 C27 H27B 109.0 . .
C28 C27 H27B 109.0 . .
H27A C27 H27B 107.8 . .
N18 C28 C27 111.3(8) . .
N18 C28 H28A 109.4 . .
C27 C28 H28A 109.4 . .
N18 C28 H28B 109.4 . .
C27 C28 H28B 109.4 . .
H28A C28 H28B 108.0 . .
C30 C29 N18 112.2(8) . .
C30 C29 H29A 109.2 . .
N18 C29 H29A 109.2 . .
C30 C29 H29B 109.2 . .
N18 C29 H29B 109.2 . .
H29A C29 H29B 107.9 . .
C29 C30 N19 115.6(8) . .
C29 C30 H30A 108.4 . .
N19 C30 H30A 108.4 . .
C29 C30 H30B 108.4 . .
N19 C30 H30B 108.4 . .
H30A C30 H30B 107.5 . .
N19 C31 C32 111.3(6) . .
N19 C31 H31A 109.4 . .
C32 C31 H31A 109.4 . .
N19 C31 H31B 109.4 . .
C32 C31 H31B 109.4 . .
H31A C31 H31B 108.0 . .
N20 C32 C31 110.0(6) . .
N20 C32 H32A 109.7 . .
C31 C32 H32A 109.7 . .
N20 C32 H32B 109.7 . .
C31 C32 H32B 109.7 . .
H32A C32 H32B 108.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb1 Se7 2.4634(7) .
Sb1 Se6 2.4675(7) .
Sb1 Se8 2.4752(7) .
Sb1 Se5 2.4972(7) .
Sb2 Se3 2.4571(7) .
Sb2 Se2 2.4764(8) .
Sb2 Se4 2.4775(7) .
Sb2 Se1 2.5021(7) .
Y1 O1W 2.230(4) .
Y1 O1W 2.289(4) 2_666
Y1 N5 2.529(5) .
Y1 N3 2.535(5) .
Y1 N1 2.548(5) .
Y1 N2 2.557(5) .
Y1 N4 2.565(5) .
Y1 Se1 3.0564(8) .
Y1 Y1 3.7101(10) 2_666
Y2 O2W 2.227(4) .
Y2 O2W 2.307(4) 2_565
Y2 N8 2.498(5) .
Y2 N9 2.521(5) .
Y2 N6 2.524(5) .
Y2 N10 2.527(5) .
Y2 N7 2.565(5) .
Y2 Se5 3.0429(8) .
Y2 Y2 3.7231(10) 2_565
Y3 O3W 2.223(4) .
Y3 O3W 2.260(4) 2_576
Y3 N15 2.526(5) .
Y3 N14 2.546(5) .
Y3 N13 2.549(5) .
Y3 N11 2.572(5) .
Y3 N12 2.595(5) .
Y3 Cl1 2.6998(15) .
Y3 Y3 3.6719(10) 2_576
Y4 O4W 2.234(4) .
Y4 O4W 2.265(4) 2_655
Y4 N18 2.525(7) .
Y4 N17 2.530(7) .
Y4 N16 2.542(7) .
Y4 N20 2.544(6) .
Y4 N19 2.589(5) .
Y4 Cl2 2.7022(17) .
Y4 Y4 3.7005(12) 2_655
O1W Y1 2.289(4) 2_666
O1W H1WA 0.8500 .
O2W Y2 2.307(4) 2_565
O2W H2WA 0.8500 .
O3W Y3 2.260(4) 2_576
O3W H3WA 0.8500 .
O4W Y4 2.265(4) 2_655
O4W H4WA 0.8500 .
N1 C1 1.481(7) .
N1 H1A 0.9000 .
N1 H1B 0.9000 .
N2 C3 1.476(7) .
N2 C2 1.478(7) .
N2 H2C 0.9100 .
N3 C5 1.470(7) .
N3 C4 1.475(7) .
N3 H3C 0.9100 .
N4 C6 1.473(8) .
N4 C7 1.473(7) .
N4 H4C 0.9100 .
N5 C8 1.478(7) .
N5 H5A 0.9000 .
N5 H5B 0.9000 .
N6 C9 1.476(9) .
N6 H6C 0.9000 .
N6 H6D 0.9000 .
N7 C11 1.463(9) .
N7 C10 1.495(9) .
N7 H7C 0.9100 .
N8 C12 1.469(8) .
N8 C13 1.471(8) .
N8 H8C 0.9100 .
N9 C14 1.464(8) .
N9 C15 1.489(8) .
N9 H9C 0.9100 .
N10 C16 1.471(8) .
N10 H10A 0.9000 .
N10 H10B 0.9000 .
N11 C17 1.465(10) .
N11 H11C 0.9000 .
N11 H11D 0.9000 .
N12 C18 1.475(9) .
N12 C19 1.482(8) .
N12 H12C 0.9100 .
N13 C20 1.475(8) .
N13 C21 1.483(7) .
N13 H13C 0.9100 .
N14 C22 1.468(7) .
N14 C23 1.474(7) .
N14 H14C 0.9100 .
N15 C24 1.464(7) .
N15 H15C 0.9000 .
N15 H15D 0.9000 .
N16 C25 1.368(12) .
N16 H16C 0.9000 .
N16 H16D 0.9000 .
N17 C27 1.396(13) .
N17 C26 1.539(12) .
N17 H17C 0.9100 .
N18 C28 1.483(12) .
N18 C29 1.523(11) .
N18 H18C 0.9100 .
N19 C30 1.463(9) .
N19 C31 1.472(9) .
N19 H19C 0.9100 .
N20 C32 1.474(9) .
N20 H20C 0.9000 .
N20 H20D 0.9000 .
C1 C2 1.501(8) .
C1 H1C 0.9700 .
C1 H1D 0.9700 .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.500(8) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.511(8) .
C5 H5C 0.9700 .
C5 H5D 0.9700 .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.507(8) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.460(11) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 H10C 0.9700 .
C10 H10D 0.9700 .
C11 C12 1.477(10) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.516(9) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.494(9) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.436(11) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.508(9) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C22 1.507(8) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.503(8) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.433(15) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 C28 1.530(15) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 C30 1.384(12) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C32 1.498(10) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
