#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:41:31 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178959 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/88/4118898.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_4118898
loop_
_publ_author_name
'Selvan Demir'
'Joseph M. Zadrozny'
'Michael Nippe'
'Jeffrey R. Long'
_publ_contact_author_address
;Department of Chemistry
University of California, Berkeley
USA
;
_publ_contact_author_email       jrlong@chem.berkeley.edu
_publ_contact_author_name        'Jeffrey R. Long'
_publ_contact_author_phone       510-642-0860
_publ_section_title
;
 Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged
 Dilanthanide Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              18546
_journal_page_last               18549
_journal_paper_doi               10.1021/ja308945d
_journal_volume                  134
_journal_year                    2012
_chemical_formula_moiety         'C72 H86 B N4 Tb2'
_chemical_formula_sum            'C72 H86 B N4 Tb2'
_chemical_formula_weight         1336.10
_chemical_name_common            {[(C5Me5)2Tb]2(bipym)}(BPh4)
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.965(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.0113(7)
_cell_length_b                   28.5299(19)
_cell_length_c                   24.1865(16)
_cell_measurement_reflns_used    9796
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.3243
_cell_measurement_theta_min      2.8527
_cell_volume                     7459.5(8)
_computing_cell_refinement       'Bruker APEX2 v. 2009.1'
_computing_data_collection       'Bruker APEX2 v. 2009.1'
_computing_data_reduction        'Bruker APEX2 v. 2009.1'
_computing_molecular_graphics    DIAMOND
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'QUAZAR multilayer mirrors'
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_sigmaI/netI    0.0314
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            44175
_diffrn_reflns_theta_full        25.39
_diffrn_reflns_theta_max         25.39
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    1.918
_exptl_absorpt_correction_T_max  0.8774
_exptl_absorpt_correction_T_min  0.7003
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.190
_exptl_crystal_description       needle
_exptl_crystal_F_000             2724
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_platon_squeeze_details
;
;
_refine_diff_density_max         1.708
_refine_diff_density_min         -1.559
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.172
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     378
_refine_ls_number_reflns         6682
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.172
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0610
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0013P)²+112.7303P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1113
_refine_ls_wR_factor_ref         0.1227
_reflns_number_gt                5113
_reflns_number_total             6682
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja308945d_si_006.cif
_cod_data_source_block           2
_cod_database_code               4118898
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Tb1 Tb 0.29252(3) 0.065550(13) 0.424948(16) 0.04334(13) Uani 1 1 d . . .
N1 N 0.4501(5) 0.05936(18) 0.5101(2) 0.0352(13) Uani 1 1 d . B .
N2 N 0.4049(5) -0.0090(2) 0.4304(2) 0.0374(13) Uani 1 1 d . . .
C1 C 0.0415(12) 0.0602(6) 0.4051(7) 0.0382(12) Uani 0.50 1 d P A 1
C1A C 0.0668(13) 0.0374(6) 0.4110(6) 0.0382(12) Uani 0.50 1 d P B 2
C2 C 0.0845(13) 0.0124(6) 0.4166(7) 0.0382(12) Uani 0.50 1 d P A 1
C2A C 0.0636(15) 0.0837(9) 0.4355(7) 0.0382(12) Uani 0.50 1 d P B 2
C3 C 0.1459(15) 0.0104(9) 0.4743(7) 0.0382(12) Uani 0.50 1 d P A 1
C3A C 0.1314(13) 0.0779(6) 0.4924(8) 0.0382(12) Uani 0.50 1 d P B 2
C4 C 0.1405(14) 0.0561(6) 0.4986(7) 0.0382(12) Uani 0.50 1 d P A 1
C4A C 0.1681(13) 0.0355(6) 0.5014(7) 0.0382(12) Uani 0.50 1 d P B 2
C5 C 0.0764(17) 0.0874(8) 0.4557(7) 0.0382(12) Uani 0.50 1 d P A 1
C5A C 0.1301(16) 0.0085(8) 0.4543(7) 0.0382(12) Uani 0.50 1 d P B 2
C6 C -0.0446(14) 0.0738(9) 0.3505(7) 0.067(6) Uani 0.50 1 d P A 1
H6A H -0.0119 0.0615 0.3185 0.101 Uiso 0.50 1 calc PR A 1
H6B H -0.0503 0.1080 0.3479 0.101 Uiso 0.50 1 calc PR A 1
H6C H -0.1269 0.0606 0.3502 0.101 Uiso 0.50 1 calc PR A 1
C6A C 0.009(2) 0.0204(14) 0.3554(9) 0.136(14) Uani 0.50 1 d P B 2
H6AA H -0.0147 0.0471 0.3302 0.203 Uiso 0.50 1 calc PR B 2
H6AB H -0.0647 0.0020 0.3584 0.203 Uiso 0.50 1 calc PR B 2
H6AC H 0.0678 0.0006 0.3403 0.203 Uiso 0.50 1 calc PR B 2
C7 C 0.0625(16) -0.0307(7) 0.3778(12) 0.086(8) Uani 0.50 1 d P A 1
H7A H -0.0260 -0.0380 0.3694 0.129 Uiso 0.50 1 calc PR A 1
H7B H 0.1083 -0.0575 0.3967 0.129 Uiso 0.50 1 calc PR A 1
H7C H 0.0912 -0.0240 0.3427 0.129 Uiso 0.50 1 calc PR A 1
C7A C -0.011(2) 0.1259(11) 0.4130(19) 0.18(2) Uani 0.50 1 d P B 2
H7AA H 0.0428 0.1537 0.4179 0.268 Uiso 0.50 1 calc PR B 2
H7AB H -0.0784 0.1302 0.4335 0.268 Uiso 0.50 1 calc PR B 2
H7AC H -0.0445 0.1214 0.3729 0.268 Uiso 0.50 1 calc PR B 2
C8 C 0.1887(18) -0.0317(7) 0.5062(11) 0.072(7) Uani 0.50 1 d P A 1
H8A H 0.1303 -0.0400 0.5305 0.109 Uiso 0.50 1 calc PR A 1
H8B H 0.2705 -0.0259 0.5294 0.109 Uiso 0.50 1 calc PR A 1
H8C H 0.1943 -0.0576 0.4800 0.109 Uiso 0.50 1 calc PR A 1
C8A C 0.1476(19) 0.1159(10) 0.5382(11) 0.116(11) Uani 0.50 1 d P B 2
H8AA H 0.2350 0.1181 0.5562 0.174 Uiso 0.50 1 calc PR B 2
H8AB H 0.0981 0.1079 0.5665 0.174 Uiso 0.50 1 calc PR B 2
H8AC H 0.1199 0.1462 0.5211 0.174 Uiso 0.50 1 calc PR B 2
C9 C 0.1843(14) 0.0664(7) 0.5582(5) 0.051(4) Uani 0.50 1 d P A 1
H9A H 0.1150 0.0643 0.5782 0.077 Uiso 0.50 1 calc PR A 1
H9B H 0.2190 0.0981 0.5623 0.077 Uiso 0.50 1 calc PR A 1
H9C H 0.2482 0.0437 0.5742 0.077 Uiso 0.50 1 calc PR A 1
C9A C 0.2355(19) 0.0130(11) 0.5604(10) 0.113(10) Uani 0.50 1 d P B 2
H9AA H 0.3221 0.0062 0.5589 0.170 Uiso 0.50 1 calc PR B 2
H9AB H 0.1934 -0.0161 0.5673 0.170 Uiso 0.50 1 calc PR B 2
H9AC H 0.2322 0.0352 0.5910 0.170 Uiso 0.50 1 calc PR B 2
C10 C 0.043(2) 0.1357(6) 0.4634(10) 0.074(7) Uani 0.50 1 d P A 1
H10D H 0.0165 0.1505 0.4266 0.112 Uiso 0.50 1 calc PR A 1
H10E H 0.1154 0.1525 0.4843 0.112 Uiso 0.50 1 calc PR A 1
H10F H -0.0241 0.1369 0.4846 0.112 Uiso 0.50 1 calc PR A 1
C10A C 0.154(3) -0.0444(8) 0.4554(16) 0.122(13) Uani 0.50 1 d P B 2
H10A H 0.1483 -0.0559 0.4169 0.184 Uiso 0.50 1 calc PR B 2
H10B H 0.0912 -0.0603 0.4728 0.184 Uiso 0.50 1 calc PR B 2
H10C H 0.2361 -0.0509 0.4774 0.184 Uiso 0.50 1 calc PR B 2
C11 C 0.2721(7) 0.1314(3) 0.3464(3) 0.052(2) Uani 1 1 d . B .
C12 C 0.3185(10) 0.0922(3) 0.3234(4) 0.069(3) Uani 1 1 d . B .
C13 C 0.4394(10) 0.0842(3) 0.3526(5) 0.080(3) Uani 1 1 d . B .
C14 C 0.4662(7) 0.1189(3) 0.3945(4) 0.063(3) Uani 1 1 d . B .
C15 C 0.3596(8) 0.1480(3) 0.3906(3) 0.055(2) Uani 1 1 d . B .
C16 C 0.1548(9) 0.1571(5) 0.3201(5) 0.118(5) Uani 1 1 d . . .
H16A H 0.0935 0.1346 0.3012 0.177 Uiso 1 1 calc R B 1
H16B H 0.1735 0.1799 0.2926 0.177 Uiso 1 1 calc R B 1
H16C H 0.1216 0.1735 0.3496 0.177 Uiso 1 1 calc R B 1
C17 C 0.2515(14) 0.0655(5) 0.2717(5) 0.149(7) Uani 1 1 d . . .
H17A H 0.3000 0.0377 0.2657 0.224 Uiso 1 1 calc R B 1
H17B H 0.2419 0.0858 0.2385 0.224 Uiso 1 1 calc R B 1
H17C H 0.1698 0.0556 0.2778 0.224 Uiso 1 1 calc R B 1
C18 C 0.5312(13) 0.0490(4) 0.3390(7) 0.172(9) Uani 1 1 d . . .
H18A H 0.5888 0.0404 0.3736 0.259 Uiso 1 1 calc R B 1
H18B H 0.5774 0.0626 0.3122 0.259 Uiso 1 1 calc R B 1
H18C H 0.4872 0.0209 0.3225 0.259 Uiso 1 1 calc R B 1
C19 C 0.5902(8) 0.1274(5) 0.4319(6) 0.140(7) Uani 1 1 d . . .
H19A H 0.5782 0.1420 0.4671 0.210 Uiso 1 1 calc R B 1
H19B H 0.6396 0.1481 0.4127 0.210 Uiso 1 1 calc R B 1
H19C H 0.6334 0.0974 0.4403 0.210 Uiso 1 1 calc R B 1
C20 C 0.3484(13) 0.1904(3) 0.4262(5) 0.106(4) Uani 1 1 d . . .
H20A H 0.2937 0.1832 0.4526 0.160 Uiso 1 1 calc R B 1
H20B H 0.3138 0.2165 0.4019 0.160 Uiso 1 1 calc R B 1
H20C H 0.4304 0.1991 0.4472 0.160 Uiso 1 1 calc R B 1
C21 C 0.5117(6) 0.0175(2) 0.5205(3) 0.0349(15) Uani 1 1 d . . .
C22 C 0.4759(6) 0.0930(2) 0.5497(3) 0.0441(19) Uani 1 1 d . . .
H22 H 0.4356 0.1224 0.5426 0.053 Uiso 1 1 calc R B .
C23 C 0.5578(6) 0.0869(3) 0.6000(3) 0.0441(17) Uani 1 1 d . . .
H23 H 0.5743 0.1110 0.6276 0.053 Uiso 1 1 calc R . .
C24 C 0.3860(7) -0.0437(3) 0.3923(3) 0.0474(19) Uani 1 1 d . . .
H24 H 0.3303 -0.0381 0.3579 0.057 Uiso 1 1 calc R B .
C25 C 0.3776(7) 0.1238(3) 0.7467(3) 0.0481(8) Uani 1 1 d . . .
C26 C 0.3649(7) 0.0819(3) 0.7154(3) 0.0481(8) Uani 1 1 d . . .
H26 H 0.4290 0.0735 0.6960 0.058 Uiso 1 1 calc R . .
C27 C 0.2644(6) 0.0526(3) 0.7115(3) 0.0481(8) Uani 1 1 d . . .
H27 H 0.2629 0.0241 0.6911 0.058 Uiso 1 1 calc R . .
C28 C 0.1651(7) 0.0641(3) 0.7368(3) 0.0481(8) Uani 1 1 d . . .
H28 H 0.0923 0.0454 0.7312 0.058 Uiso 1 1 calc R . .
C29 C 0.1758(7) 0.1030(3) 0.7699(3) 0.0481(8) Uani 1 1 d . . .
H29 H 0.1130 0.1097 0.7908 0.058 Uiso 1 1 calc R . .
C30 C 0.2784(6) 0.1337(3) 0.7741(3) 0.0481(8) Uani 1 1 d . . .
H30 H 0.2804 0.1615 0.7958 0.058 Uiso 1 1 calc R . .
C31 C 0.4831(6) 0.1909(2) 0.6933(4) 0.0452(18) Uani 1 1 d . . .
C32 C 0.5656(8) 0.2287(3) 0.6905(4) 0.064(2) Uani 1 1 d . . .
H32 H 0.6235 0.2372 0.7233 0.077 Uiso 1 1 calc R . .
C33 C 0.5636(11) 0.2532(3) 0.6416(6) 0.085(3) Uani 1 1 d . . .
H33 H 0.6208 0.2780 0.6410 0.101 Uiso 1 1 calc R . .
C34 C 0.4789(12) 0.2422(3) 0.5927(5) 0.087(4) Uani 1 1 d . . .
H34 H 0.4814 0.2578 0.5583 0.104 Uiso 1 1 calc R . .
C35 C 0.3924(10) 0.2085(3) 0.5955(4) 0.072(3) Uani 1 1 d . . .
H35 H 0.3296 0.2024 0.5635 0.087 Uiso 1 1 calc R . .
C36 C 0.3956(8) 0.1830(2) 0.6450(3) 0.052(2) Uani 1 1 d . . .
H36 H 0.3354 0.1593 0.6455 0.063 Uiso 1 1 calc R . .
B28 B 0.5000 0.1575(4) 0.7500 0.038(3) Uani 1 2 d S . .
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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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
N1 Tb1 N2 67.67(18) . .
N1 Tb1 C1A 127.1(4) . .
N2 Tb1 C1A 101.6(4) . .
N1 Tb1 C5A 98.0(4) . .
N2 Tb1 C5A 79.0(5) . .
C1A Tb1 C5A 31.5(6) . .
N1 Tb1 C2A 118.3(4) . .
N2 Tb1 C2A 130.4(5) . .
C1A Tb1 C2A 32.4(6) . .
C5A Tb1 C2A 51.7(5) . .
N1 Tb1 C12 128.5(3) . .
N2 Tb1 C12 99.1(3) . .
C1A Tb1 C12 103.9(4) . .
C5A Tb1 C12 129.3(4) . .
C2A Tb1 C12 108.0(4) . .
N1 Tb1 C4A 76.4(4) . .
N2 Tb1 C4A 90.3(4) . .
C1A Tb1 C4A 51.3(5) . .
C5A Tb1 C4A 30.3(5) . .
C2A Tb1 C4A 50.5(6) . .
C12 Tb1 C4A 155.1(4) . .
N1 Tb1 C15 97.7(2) . .
N2 Tb1 C15 128.3(2) . .
C1A Tb1 C15 123.8(4) . .
C5A Tb1 C15 152.3(5) . .
C2A Tb1 C15 100.6(5) . .
C12 Tb1 C15 50.6(3) . .
C4A Tb1 C15 136.1(4) . .
N1 Tb1 C11 127.4(2) . .
N2 Tb1 C11 128.8(2) . .
C1A Tb1 C11 100.3(4) . .
C5A Tb1 C11 131.8(5) . .
C2A Tb1 C11 88.7(5) . .
C12 Tb1 C11 30.4(3) . .
C4A Tb1 C11 138.3(4) . .
C15 Tb1 C11 30.2(2) . .
N1 Tb1 C3A 86.6(4) . .
N2 Tb1 C3A 118.1(4) . .
C1A Tb1 C3A 51.7(5) . .
C5A Tb1 C3A 49.0(6) . .
C2A Tb1 C3A 31.8(5) . .
C12 Tb1 C3A 137.6(4) . .
C4A Tb1 C3A 28.0(4) . .
C15 Tb1 C3A 109.5(4) . .
C11 Tb1 C3A 111.8(4) . .
N1 Tb1 C13 98.5(3) . .
N2 Tb1 C13 81.1(2) . .
C1A Tb1 C13 132.1(5) . .
C5A Tb1 C13 146.9(5) . .
C2A Tb1 C13 137.7(5) . .
C12 Tb1 C13 30.7(3) . .
C4A Tb1 C13 171.1(4) . .
C15 Tb1 C13 51.2(3) . .
C11 Tb1 C13 50.5(3) . .
C3A Tb1 C13 160.5(4) . .
N1 Tb1 C14 80.9(2) . .
N2 Tb1 C14 97.4(2) . .
C1A Tb1 C14 150.6(4) . .
C5A Tb1 C14 176.4(5) . .
C2A Tb1 C14 131.8(5) . .
C12 Tb1 C14 50.6(3) . .
C4A Tb1 C14 151.1(5) . .
C15 Tb1 C14 31.2(2) . .
C11 Tb1 C14 50.4(2) . .
C3A Tb1 C14 134.1(4) . .
C13 Tb1 C14 30.8(3) . .
C22 N1 C21 117.4(6) . .
C22 N1 Tb1 124.7(4) . .
C21 N1 Tb1 117.8(4) . .
C24 N2 C21 116.9(6) . 5_656
C24 N2 Tb1 126.3(5) . .
C21 N2 Tb1 116.6(4) 5_656 .
C5 C1 C2 108.6(18) . .
C5 C1 C6 128.5(18) . .
C2 C1 C6 122.2(17) . .
C5 C1 Tb1 73.8(9) . .
C2 C1 Tb1 74.7(8) . .
C6 C1 Tb1 125.7(9) . .
C5A C1A C2A 106.1(14) . .
C5A C1A C6A 124(2) . .
C2A C1A C6A 130(2) . .
C5A C1A Tb1 75.9(9) . .
C2A C1A Tb1 76.1(9) . .
C6A C1A Tb1 117.8(11) . .
C3 C2 C1 107.5(19) . .
C3 C2 C7 123.5(19) . .
C1 C2 C7 128.8(18) . .
C3 C2 Tb1 73.5(10) . .
C1 C2 Tb1 74.4(8) . .
C7 C2 Tb1 121.6(9) . .
C3A C2A C1A 103.6(18) . .
C3A C2A C7A 126(3) . .
C1A C2A C7A 130(2) . .
C3A C2A Tb1 74.9(9) . .
C1A C2A Tb1 71.5(9) . .
C7A C2A Tb1 126.1(13) . .
C2 C3 C4 108.3(17) . .
C2 C3 C8 126(2) . .
C4 C3 C8 124.6(18) . .
C2 C3 Tb1 75.9(9) . .
C4 C3 Tb1 74.1(10) . .
C8 C3 Tb1 123.7(11) . .
C4A C3A C2A 111(2) . .
C4A C3A C8A 124(2) . .
C2A C3A C8A 125(2) . .
C4A C3A Tb1 75.7(9) . .
C2A C3A Tb1 73.4(9) . .
C8A C3A Tb1 122.5(11) . .
C3 C4 C5 108.7(14) . .
C3 C4 C9 123.7(16) . .
C5 C4 C9 127.4(17) . .
C3 C4 Tb1 75.0(9) . .
C5 C4 Tb1 75.1(8) . .
C9 C4 Tb1 120.4(10) . .
C3A C4A C5A 111(2) . .
C3A C4A C9A 127(2) . .
C5A C4A C9A 122(2) . .
C3A C4A Tb1 76.3(9) . .
C5A C4A Tb1 73.7(9) . .
C9A C4A Tb1 122.4(10) . .
C1 C5 C4 107.0(18) . .
C1 C5 C10 126(2) . .
C4 C5 C10 126.6(17) . .
C1 C5 Tb1 75.4(8) . .
C4 C5 Tb1 73.7(9) . .
C10 C5 Tb1 120.8(12) . .
C4A C5A C1A 108.5(19) . .
C4A C5A C10A 121(2) . .
C1A C5A C10A 130(2) . .
C4A C5A Tb1 76.1(10) . .
C1A C5A Tb1 72.6(10) . .
C10A C5A Tb1 119.8(12) . .
C1A C6A H6AA 109.5 . .
C1A C6A H6AB 109.5 . .
H6AA C6A H6AB 109.5 . .
C1A C6A H6AC 109.5 . .
H6AA C6A H6AC 109.5 . .
H6AB C6A H6AC 109.5 . .
C2A C7A H7AA 109.5 . .
C2A C7A H7AB 109.5 . .
H7AA C7A H7AB 109.5 . .
C2A C7A H7AC 109.5 . .
H7AA C7A H7AC 109.5 . .
H7AB C7A H7AC 109.5 . .
C3A C8A H8AA 109.5 . .
C3A C8A H8AB 109.5 . .
H8AA C8A H8AB 109.5 . .
C3A C8A H8AC 109.5 . .
H8AA C8A H8AC 109.5 . .
H8AB C8A H8AC 109.5 . .
C4A C9A H9AA 109.5 . .
C4A C9A H9AB 109.5 . .
H9AA C9A H9AB 109.5 . .
C4A C9A H9AC 109.5 . .
H9AA C9A H9AC 109.5 . .
H9AB C9A H9AC 109.5 . .
C5A C10A H10A 109.5 . .
C5A C10A H10B 109.5 . .
H10A C10A H10B 109.5 . .
C5A C10A H10C 109.5 . .
H10A C10A H10C 109.5 . .
H10B C10A H10C 109.5 . .
C15 C11 C12 109.4(8) . .
C15 C11 C16 124.8(9) . .
C12 C11 C16 124.9(10) . .
C15 C11 Tb1 74.7(4) . .
C12 C11 Tb1 74.3(5) . .
C16 C11 Tb1 126.3(5) . .
C11 C12 C13 108.5(9) . .
C11 C12 C17 124.9(11) . .
C13 C12 C17 126.4(11) . .
C11 C12 Tb1 75.3(5) . .
C13 C12 Tb1 75.2(5) . .
C17 C12 Tb1 119.8(7) . .
C12 C13 C14 107.2(8) . .
C12 C13 C18 127.8(13) . .
C14 C13 C18 124.7(12) . .
C12 C13 Tb1 74.1(5) . .
C14 C13 Tb1 74.7(5) . .
C18 C13 Tb1 121.9(6) . .
C13 C14 C15 107.8(8) . .
C13 C14 C19 125.9(11) . .
C15 C14 C19 125.9(11) . .
C13 C14 Tb1 74.5(5) . .
C15 C14 Tb1 74.0(4) . .
C19 C14 Tb1 122.9(5) . .
C11 C15 C14 107.1(8) . .
C11 C15 C20 126.8(9) . .
C14 C15 C20 125.9(10) . .
C11 C15 Tb1 75.1(5) . .
C14 C15 Tb1 74.8(4) . .
C20 C15 Tb1 118.5(5) . .
C11 C16 H16A 109.5 . .
C11 C16 H16B 109.5 . .
C11 C16 H16C 109.5 . .
C12 C17 H17A 109.5 . .
C12 C17 H17B 109.5 . .
C12 C17 H17C 109.5 . .
C13 C18 H18A 109.5 . .
C13 C18 H18B 109.5 . .
C13 C18 H18C 109.5 . .
C14 C19 H19A 109.5 . .
C14 C19 H19B 109.5 . .
C14 C19 H19C 109.5 . .
C15 C20 H20A 109.5 . .
C15 C20 H20B 109.5 . .
C15 C20 H20C 109.5 . .
N1 C21 N2 122.5(6) . 5_656
N1 C21 C21 118.3(8) . 5_656
N2 C21 C21 119.2(7) 5_656 5_656
N1 C22 C23 123.4(6) . .
N1 C22 H22 118.3 . .
C23 C22 H22 118.3 . .
C24 C23 C22 115.7(7) 5_656 .
C24 C23 H23 122.2 5_656 .
C22 C23 H23 122.2 . .
N2 C24 C23 124.2(7) . 5_656
N2 C24 H24 117.9 . .
C23 C24 H24 117.9 5_656 .
C26 C25 C30 114.6(7) . .
C26 C25 B28 121.3(6) . .
C30 C25 B28 124.0(7) . .
C27 C26 C25 123.4(7) . .
C27 C26 H26 118.3 . .
C25 C26 H26 118.3 . .
C26 C27 C28 121.1(7) . .
C26 C27 H27 119.5 . .
C28 C27 H27 119.5 . .
C29 C28 C27 117.6(7) . .
C29 C28 H28 121.2 . .
C27 C28 H28 121.2 . .
C28 C29 C30 121.7(7) . .
C28 C29 H29 119.2 . .
C30 C29 H29 119.2 . .
C25 C30 C29 121.3(7) . .
C25 C30 H30 119.3 . .
C29 C30 H30 119.3 . .
C36 C31 C32 115.6(8) . .
C36 C31 B28 123.9(6) . .
C32 C31 B28 120.4(7) . .
C33 C32 C31 121.6(10) . .
C33 C32 H32 119.2 . .
C31 C32 H32 119.2 . .
C32 C33 C34 121.0(10) . .
C32 C33 H33 119.5 . .
C34 C33 H33 119.5 . .
C35 C34 C33 118.6(9) . .
C35 C34 H34 120.7 . .
C33 C34 H34 120.7 . .
C34 C35 C36 120.4(11) . .
C34 C35 H35 119.8 . .
C36 C35 H35 119.8 . .
C31 C36 C35 122.6(8) . .
C31 C36 H36 118.7 . .
C35 C36 H36 118.7 . .
C25 B28 C25 108.4(8) . 2_656
C25 B28 C31 109.6(4) . .
C25 B28 C31 109.8(3) 2_656 .
C25 B28 C31 109.8(3) . 2_656
C25 B28 C31 109.6(4) 2_656 2_656
C31 B28 C31 109.6(8) . 2_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 N1 2.434(6) .
Tb1 N2 2.452(5) .
Tb1 C1A 2.573(13) .
Tb1 C5A 2.615(18) .
Tb1 C2A 2.633(18) .
Tb1 C12 2.639(9) .
Tb1 C4A 2.645(14) .
Tb1 C15 2.646(8) .
Tb1 C11 2.651(7) .
Tb1 C3A 2.652(14) .
Tb1 C13 2.653(8) .
Tb1 C14 2.656(7) .
N1 C22 1.347(9) .
N1 C21 1.372(8) .
N2 C24 1.341(9) .
N2 C21 1.377(9) 5_656
C1 C5 1.44(2) .
C1 C2 1.450(19) .
C1 C6 1.52(2) .
C1A C5A 1.41(3) .
C1A C2A 1.45(3) .
C1A C6A 1.46(2) .
C2 C3 1.43(2) .
C2 C7 1.54(2) .
C2A C3A 1.45(2) .
C2A C7A 1.50(3) .
C3 C4 1.43(3) .
C3 C8 1.46(3) .
C3A C4A 1.280(19) .
C3A C8A 1.54(3) .
C4 C5 1.45(3) .
C4 C9 1.46(2) .
C4A C5A 1.37(2) .
C4A C9A 1.61(3) .
C5 C10 1.45(3) .
C5A C10A 1.53(3) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C6A H6AA 0.9800 .
C6A H6AB 0.9800 .
C6A H6AC 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C7A H7AA 0.9800 .
C7A H7AB 0.9800 .
C7A H7AC 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C8A H8AA 0.9800 .
C8A H8AB 0.9800 .
C8A H8AC 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C9A H9AA 0.9800 .
C9A H9AB 0.9800 .
C9A H9AC 0.9800 .
C10 H10D 0.9800 .
C10 H10E 0.9800 .
C10 H10F 0.9800 .
C10A H10A 0.9800 .
C10A H10B 0.9800 .
C10A H10C 0.9800 .
C11 C15 1.381(12) .
C11 C12 1.388(12) .
C11 C16 1.516(11) .
C12 C13 1.402(14) .
C12 C17 1.529(14) .
C13 C14 1.408(14) .
C13 C18 1.504(11) .
C14 C15 1.426(11) .
C14 C19 1.507(13) .
C15 C20 1.502(12) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 N2 1.377(9) 5_656
C21 C21 1.398(13) 5_656
C22 C23 1.381(10) .
C22 H22 0.9500 .
C23 C24 1.375(10) 5_656
C23 H23 0.9500 .
C24 C23 1.375(10) 5_656
C24 H24 0.9500 .
C25 C26 1.406(10) .
C25 C30 1.410(9) .
C25 B28 1.646(9) .
C26 C27 1.375(10) .
C26 H26 0.9500 .
C27 C28 1.391(9) .
C27 H27 0.9500 .
C28 C29 1.360(10) .
C28 H28 0.9500 .
C29 C30 1.419(10) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 C36 1.384(11) .
C31 C32 1.420(10) .
C31 B28 1.650(10) .
C32 C33 1.370(13) .
C32 H32 0.9500 .
C33 C34 1.395(15) .
C33 H33 0.9500 .
C34 C35 1.363(14) .
C34 H34 0.9500 .
C35 C36 1.396(11) .
C35 H35 0.9500 .
C36 H36 0.9500 .
B28 C25 1.646(9) 2_656
B28 C31 1.650(10) 2_656
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N2 Tb1 N1 C22 178.7(5) . .
C1A Tb1 N1 C22 -93.5(7) . .
C5A Tb1 N1 C22 -106.7(7) . .
C2A Tb1 N1 C22 -56.2(8) . .
C12 Tb1 N1 C22 95.0(5) . .
C4A Tb1 N1 C22 -85.3(6) . .
C15 Tb1 N1 C22 50.3(5) . .
C11 Tb1 N1 C22 56.1(5) . .
C3A Tb1 N1 C22 -59.0(6) . .
C13 Tb1 N1 C22 102.0(5) . .
C14 Tb1 N1 C22 76.7(5) . .
N2 Tb1 N1 C21 -5.7(4) . .
C1A Tb1 N1 C21 82.1(6) . .
C5A Tb1 N1 C21 68.9(6) . .
C2A Tb1 N1 C21 119.4(7) . .
C12 Tb1 N1 C21 -89.4(5) . .
C4A Tb1 N1 C21 90.3(6) . .
C15 Tb1 N1 C21 -134.1(4) . .
C11 Tb1 N1 C21 -128.3(4) . .
C3A Tb1 N1 C21 116.6(5) . .
C13 Tb1 N1 C21 -82.4(5) . .
C14 Tb1 N1 C21 -107.7(5) . .
N1 Tb1 N2 C24 179.9(5) . .
C1A Tb1 N2 C24 54.4(6) . .
C5A Tb1 N2 C24 76.5(6) . .
C2A Tb1 N2 C24 71.1(7) . .
C12 Tb1 N2 C24 -52.0(6) . .
C4A Tb1 N2 C24 104.7(6) . .
C15 Tb1 N2 C24 -98.1(6) . .
C11 Tb1 N2 C24 -59.2(6) . .
C3A Tb1 N2 C24 106.9(7) . .
C13 Tb1 N2 C24 -77.0(6) . .
C14 Tb1 N2 C24 -103.1(5) . .
N1 Tb1 N2 C21 5.7(4) . 5_656
C1A Tb1 N2 C21 -119.9(5) . 5_656
C5A Tb1 N2 C21 -97.8(6) . 5_656
C2A Tb1 N2 C21 -103.2(6) . 5_656
C12 Tb1 N2 C21 133.7(5) . 5_656
C4A Tb1 N2 C21 -69.5(6) . 5_656
C15 Tb1 N2 C21 87.6(5) . 5_656
C11 Tb1 N2 C21 126.5(4) . 5_656
C3A Tb1 N2 C21 -67.4(6) . 5_656
C13 Tb1 N2 C21 108.7(5) . 5_656
C14 Tb1 N2 C21 82.6(5) . 5_656
N1 Tb1 C1 C5 41.8(14) . .
N2 Tb1 C1 C5 125.2(12) . .
C1A Tb1 C1 C5 115(3) . .
C5A Tb1 C1 C5 89.3(15) . .
C2A Tb1 C1 C5 -10(2) . .
C12 Tb1 C1 C5 -130.4(12) . .
C4A Tb1 C1 C5 53.5(13) . .
C15 Tb1 C1 C5 -79.5(12) . .
C11 Tb1 C1 C5 -101.6(12) . .
C3A Tb1 C1 C5 20.0(11) . .
C13 Tb1 C1 C5 -134.7(12) . .
C14 Tb1 C1 C5 -94.0(13) . .
N1 Tb1 C1 C2 -73.2(11) . .
N2 Tb1 C1 C2 10.2(11) . .
C1A Tb1 C1 C2 -0.1(18) . .
C5A Tb1 C1 C2 -25.8(8) . .
C2A Tb1 C1 C2 -125.5(17) . .
C12 Tb1 C1 C2 114.5(9) . .
C4A Tb1 C1 C2 -61.5(9) . .
C15 Tb1 C1 C2 165.5(9) . .
C11 Tb1 C1 C2 143.4(10) . .
C3A Tb1 C1 C2 -95.1(11) . .
C13 Tb1 C1 C2 110.2(9) . .
C14 Tb1 C1 C2 150.9(8) . .
N1 Tb1 C1 C6 167.9(14) . .
N2 Tb1 C1 C6 -108.7(16) . .
C1A Tb1 C1 C6 -119(3) . .
C5A Tb1 C1 C6 -145(2) . .
C2A Tb1 C1 C6 116(2) . .
C12 Tb1 C1 C6 -4.4(17) . .
C4A Tb1 C1 C6 179.6(19) . .
C15 Tb1 C1 C6 46.6(17) . .
C11 Tb1 C1 C6 24.5(16) . .
C3A Tb1 C1 C6 146.1(19) . .
C13 Tb1 C1 C6 -8.6(19) . .
C14 Tb1 C1 C6 32(2) . .
N1 Tb1 C1A C5A -25.7(12) . .
N2 Tb1 C1A C5A 45.0(10) . .
C2A Tb1 C1A C5A -110.9(13) . .
C12 Tb1 C1A C5A 147.5(10) . .
C4A Tb1 C1A C5A -35.9(10) . .
C15 Tb1 C1A C5A -160.9(9) . .
C11 Tb1 C1A C5A 178.4(10) . .
C3A Tb1 C1A C5A -71.9(10) . .
C13 Tb1 C1A C5A 133.4(9) . .
C14 Tb1 C1A C5A 174.3(9) . .
N1 Tb1 C1A C2A 85.1(10) . .
N2 Tb1 C1A C2A 155.8(9) . .
C5A Tb1 C1A C2A 110.9(13) . .
C12 Tb1 C1A C2A -101.7(9) . .
C4A Tb1 C1A C2A 75.0(10) . .
C15 Tb1 C1A C2A -50.0(10) . .
C11 Tb1 C1A C2A -70.8(9) . .
C3A Tb1 C1A C2A 39.0(9) . .
C13 Tb1 C1A C2A -115.8(9) . .
C14 Tb1 C1A C2A -74.8(12) . .
N1 Tb1 C1A C6A -147(2) . .
N2 Tb1 C1A C6A -76(2) . .
C5A Tb1 C1A C6A -121(3) . .
C2A Tb1 C1A C6A 128(3) . .
C12 Tb1 C1A C6A 26(2) . .
C4A Tb1 C1A C6A -157(2) . .
C15 Tb1 C1A C6A 78(2) . .
C11 Tb1 C1A C6A 57(2) . .
C3A Tb1 C1A C6A 167(2) . .
C13 Tb1 C1A C6A 12(2) . .
C14 Tb1 C1A C6A 53(3) . .
C5 C1 C2 C3 -0.1(14) . .
C6 C1 C2 C3 -170.6(13) . .
Tb1 C1 C2 C3 66.5(9) . .
C5 C1 C2 C7 175.2(14) . .
C6 C1 C2 C7 5(2) . .
Tb1 C1 C2 C7 -118.2(15) . .
C5 C1 C2 Tb1 -66.6(10) . .
C6 C1 C2 Tb1 122.9(12) . .
N1 Tb1 C2 C3 13.1(13) . .
N2 Tb1 C2 C3 75.0(12) . .
C1A Tb1 C2 C3 -114(2) . .
C5A Tb1 C2 C3 6(2) . .
C2A Tb1 C2 C3 -90.0(14) . .
C12 Tb1 C2 C3 173.2(12) . .
C4A Tb1 C2 C3 -18.9(11) . .
C15 Tb1 C2 C3 -135.2(11) . .
C11 Tb1 C2 C3 -154.4(12) . .
C3A Tb1 C2 C3 -52.0(13) . .
C13 Tb1 C2 C3 149.1(11) . .
C14 Tb1 C2 C3 175.7(12) . .
N1 Tb1 C2 C1 127.2(9) . .
N2 Tb1 C2 C1 -170.9(10) . .
C1A Tb1 C2 C1 0.1(18) . .
C5A Tb1 C2 C1 120.0(18) . .
C2A Tb1 C2 C1 24.1(8) . .
C12 Tb1 C2 C1 -72.7(10) . .
C4A Tb1 C2 C1 95.2(11) . .
C15 Tb1 C2 C1 -21.1(12) . .
C11 Tb1 C2 C1 -40.2(10) . .
C3A Tb1 C2 C1 62.1(9) . .
C13 Tb1 C2 C1 -96.8(10) . .
C14 Tb1 C2 C1 -70.1(15) . .
N1 Tb1 C2 C7 -106.5(16) . .
N2 Tb1 C2 C7 -44.6(16) . .
C1A Tb1 C2 C7 126(3) . .
C5A Tb1 C2 C7 -114(2) . .
C2A Tb1 C2 C7 150.4(19) . .
C12 Tb1 C2 C7 53.6(17) . .
C4A Tb1 C2 C7 -138.5(18) . .
C15 Tb1 C2 C7 105.2(16) . .
C11 Tb1 C2 C7 86.0(16) . .
C3A Tb1 C2 C7 -171.6(18) . .
C13 Tb1 C2 C7 29.5(18) . .
C14 Tb1 C2 C7 56(2) . .
C5A C1A C2A C3A 1.9(15) . .
C6A C1A C2A C3A 176.5(15) . .
Tb1 C1A C2A C3A -68.7(10) . .
C5A C1A C2A C7A -167.4(18) . .
C6A C1A C2A C7A 7(3) . .
Tb1 C1A C2A C7A 122.1(19) . .
C5A C1A C2A Tb1 70.6(10) . .
C6A C1A C2A Tb1 -114.8(16) . .
N1 Tb1 C2A C3A -5.3(14) . .
N2 Tb1 C2A C3A 78.5(13) . .
C1A Tb1 C2A C3A 110.3(16) . .
C5A Tb1 C2A C3A 71.8(11) . .
C12 Tb1 C2A C3A -161.9(10) . .
C4A Tb1 C2A C3A 32.6(10) . .
C15 Tb1 C2A C3A -110.1(11) . .
C11 Tb1 C2A C3A -138.0(12) . .
C13 Tb1 C2A C3A -152.3(9) . .
C14 Tb1 C2A C3A -109.2(11) . .
N1 Tb1 C2A C1A -115.6(9) . .
N2 Tb1 C2A C1A -31.8(11) . .
C5A Tb1 C2A C1A -38.5(9) . .
C12 Tb1 C2A C1A 87.8(10) . .
C4A Tb1 C2A C1A -77.7(11) . .
C15 Tb1 C2A C1A 139.6(9) . .
C11 Tb1 C2A C1A 111.7(9) . .
C3A Tb1 C2A C1A -110.3(16) . .
C13 Tb1 C2A C1A 97.4(11) . .
C14 Tb1 C2A C1A 140.5(9) . .
N1 Tb1 C2A C7A 118(3) . .
N2 Tb1 C2A C7A -158(3) . .
C1A Tb1 C2A C7A -126(3) . .
C5A Tb1 C2A C7A -165(3) . .
C12 Tb1 C2A C7A -38(3) . .
C4A Tb1 C2A C7A 156(3) . .
C15 Tb1 C2A C7A 14(3) . .
C11 Tb1 C2A C7A -14(3) . .
C3A Tb1 C2A C7A 124(3) . .
C13 Tb1 C2A C7A -29(3) . .
C14 Tb1 C2A C7A 14(3) . .
C1 C2 C3 C4 0.4(15) . .
C7 C2 C3 C4 -175.2(13) . .
Tb1 C2 C3 C4 67.6(11) . .
C1 C2 C3 C8 171.1(15) . .
C7 C2 C3 C8 -4(2) . .
Tb1 C2 C3 C8 -121.7(16) . .
C1 C2 C3 Tb1 -67.2(9) . .
C7 C2 C3 Tb1 117.3(13) . .
N1 Tb1 C3 C2 -168.5(12) . .
N2 Tb1 C3 C2 -101.0(12) . .
C1A Tb1 C3 C2 23.0(8) . .
C5A Tb1 C3 C2 -12(4) . .
C2A Tb1 C3 C2 64.0(10) . .
C12 Tb1 C3 C2 -9.9(17) . .
C4A Tb1 C3 C2 138(2) . .
C15 Tb1 C3 C2 87.8(15) . .
C11 Tb1 C3 C2 37.6(16) . .
C3A Tb1 C3 C2 104.8(15) . .
C13 Tb1 C3 C2 -61.9(17) . .
C14 Tb1 C3 C2 -172(2) . .
N1 Tb1 C3 C4 77.4(9) . .
N2 Tb1 C3 C4 144.9(10) . .
C1A Tb1 C3 C4 -91.1(13) . .
C5A Tb1 C3 C4 -126(5) . .
C2A Tb1 C3 C4 -50.1(10) . .
C12 Tb1 C3 C4 -124.0(10) . .
C4A Tb1 C3 C4 23.4(13) . .
C15 Tb1 C3 C4 -26.3(15) . .
C11 Tb1 C3 C4 -76.5(12) . .
C3A Tb1 C3 C4 -9.3(10) . .
C13 Tb1 C3 C4 -176.0(9) . .
C14 Tb1 C3 C4 74(3) . .
N1 Tb1 C3 C8 -43.8(18) . .
N2 Tb1 C3 C8 23.7(18) . .
C1A Tb1 C3 C8 148(2) . .
C5A Tb1 C3 C8 113(6) . .
C2A Tb1 C3 C8 -171(2) . .
C12 Tb1 C3 C8 114.7(17) . .
C4A Tb1 C3 C8 -98(2) . .
C15 Tb1 C3 C8 -147.5(16) . .
C11 Tb1 C3 C8 162.2(15) . .
C3A Tb1 C3 C8 -131(2) . .
C13 Tb1 C3 C8 63(2) . .
C14 Tb1 C3 C8 -47(4) . .
C1A C2A C3A C4A -0.7(16) . .
C7A C2A C3A C4A 169.1(17) . .
Tb1 C2A C3A C4A -66.9(10) . .
C1A C2A C3A C8A -175.4(14) . .
C7A C2A C3A C8A -6(3) . .
Tb1 C2A C3A C8A 118.4(15) . .
C1A C2A C3A Tb1 66.2(9) . .
C7A C2A C3A Tb1 -123.9(18) . .
N1 Tb1 C3A C4A -67.0(11) . .
N2 Tb1 C3A C4A -4.6(12) . .
C1A Tb1 C3A C4A 77.9(12) . .
C5A Tb1 C3A C4A 36.7(12) . .
C2A Tb1 C3A C4A 117.7(19) . .
C12 Tb1 C3A C4A 143.6(10) . .
C15 Tb1 C3A C4A -163.9(10) . .
C11 Tb1 C3A C4A 163.8(10) . .
C13 Tb1 C3A C4A -173.0(12) . .
C14 Tb1 C3A C4A -140.9(10) . .
N1 Tb1 C3A C2A 175.4(12) . .
N2 Tb1 C3A C2A -122.2(12) . .
C1A Tb1 C3A C2A -39.8(12) . .
C5A Tb1 C3A C2A -81.0(12) . .
C12 Tb1 C3A C2A 26.0(15) . .
C4A Tb1 C3A C2A -117.7(19) . .
C15 Tb1 C3A C2A 78.4(13) . .
C11 Tb1 C3A C2A 46.1(13) . .
C13 Tb1 C3A C2A 69(2) . .
C14 Tb1 C3A C2A 101.5(13) . .
N1 Tb1 C3A C8A 54.1(18) . .
N2 Tb1 C3A C8A 116.5(18) . .
C1A Tb1 C3A C8A -161(2) . .
C5A Tb1 C3A C8A 158(2) . .
C2A Tb1 C3A C8A -121(2) . .
C12 Tb1 C3A C8A -95.3(19) . .
C4A Tb1 C3A C8A 121(2) . .
C15 Tb1 C3A C8A -42.8(19) . .
C11 Tb1 C3A C8A -75.1(19) . .
C13 Tb1 C3A C8A -52(3) . .
C14 Tb1 C3A C8A -20(2) . .
C2 C3 C4 C5 -0.6(17) . .
C8 C3 C4 C5 -171.5(15) . .
Tb1 C3 C4 C5 68.2(10) . .
C2 C3 C4 C9 174.5(13) . .
C8 C3 C4 C9 4(2) . .
Tb1 C3 C4 C9 -116.7(14) . .
C2 C3 C4 Tb1 -68.8(10) . .
C8 C3 C4 Tb1 120.3(16) . .
N1 Tb1 C4 C3 -100.1(9) . .
N2 Tb1 C4 C3 -35.6(10) . .
C1A Tb1 C4 C3 57.4(10) . .
C5A Tb1 C4 C3 13.7(12) . .
C2A Tb1 C4 C3 102.5(14) . .
C12 Tb1 C4 C3 98.6(12) . .
C4A Tb1 C4 C3 -35(2) . .
C15 Tb1 C4 C3 165.8(8) . .
C11 Tb1 C4 C3 129.2(9) . .
C3A Tb1 C4 C3 152(3) . .
C13 Tb1 C4 C3 163(4) . .
C14 Tb1 C4 C3 -162.1(8) . .
N1 Tb1 C4 C5 145.5(11) . .
N2 Tb1 C4 C5 -150.1(10) . .
C1A Tb1 C4 C5 -57.1(11) . .
C5A Tb1 C4 C5 -100.7(15) . .
C2A Tb1 C4 C5 -12.0(14) . .
C12 Tb1 C4 C5 -15.8(15) . .
C4A Tb1 C4 C5 -150(3) . .
C15 Tb1 C4 C5 51.3(11) . .
C11 Tb1 C4 C5 14.8(12) . .
C3A Tb1 C4 C5 38(2) . .
C13 Tb1 C4 C5 48(5) . .
C14 Tb1 C4 C5 83.4(12) . .
N1 Tb1 C4 C9 20.5(14) . .
N2 Tb1 C4 C9 85.0(14) . .
C1A Tb1 C4 C9 178.0(17) . .
C5A Tb1 C4 C9 134.3(19) . .
C2A Tb1 C4 C9 -137.0(19) . .
C12 Tb1 C4 C9 -140.8(12) . .
C4A Tb1 C4 C9 85(3) . .
C15 Tb1 C4 C9 -73.6(15) . .
C11 Tb1 C4 C9 -110.2(14) . .
C3A Tb1 C4 C9 -87(3) . .
C13 Tb1 C4 C9 -77(5) . .
C14 Tb1 C4 C9 -41.5(17) . .
C2A C3A C4A C5A -0.9(17) . .
C8A C3A C4A C5A 173.9(14) . .
Tb1 C3A C4A C5A -66.4(10) . .
C2A C3A C4A C9A -174.0(14) . .
C8A C3A C4A C9A 1(2) . .
Tb1 C3A C4A C9A 120.5(15) . .
C2A C3A C4A Tb1 65.5(10) . .
C8A C3A C4A Tb1 -119.8(14) . .
N1 Tb1 C4A C3A 109.1(11) . .
N2 Tb1 C4A C3A 176.0(11) . .
C1A Tb1 C4A C3A -79.3(12) . .
C5A Tb1 C4A C3A -116.7(19) . .
C2A Tb1 C4A C3A -37.2(12) . .
C12 Tb1 C4A C3A -71.5(16) . .
C15 Tb1 C4A C3A 22.1(14) . .
C11 Tb1 C4A C3A -22.9(14) . .
C13 Tb1 C4A C3A 165(3) . .
C14 Tb1 C4A C3A 69.9(14) . .
N1 Tb1 C4A C5A -134.2(12) . .
N2 Tb1 C4A C5A -67.3(12) . .
C1A Tb1 C4A C5A 37.5(12) . .
C2A Tb1 C4A C5A 79.5(11) . .
C12 Tb1 C4A C5A 45.2(18) . .
C15 Tb1 C4A C5A 138.8(11) . .
C11 Tb1 C4A C5A 93.8(13) . .
C3A Tb1 C4A C5A 116.7(19) . .
C13 Tb1 C4A C5A -79(3) . .
C14 Tb1 C4A C5A -173.4(11) . .
N1 Tb1 C4A C9A -16.6(17) . .
N2 Tb1 C4A C9A 50.4(17) . .
C1A Tb1 C4A C9A 155(2) . .
C5A Tb1 C4A C9A 118(2) . .
C2A Tb1 C4A C9A -163(2) . .
C12 Tb1 C4A C9A 162.9(15) . .
C15 Tb1 C4A C9A -103.6(17) . .
C11 Tb1 C4A C9A -148.5(16) . .
C3A Tb1 C4A C9A -126(2) . .
C13 Tb1 C4A C9A 39(4) . .
C14 Tb1 C4A C9A -56(2) . .
C2 C1 C5 C4 -0.3(15) . .
C6 C1 C5 C4 169.5(14) . .
Tb1 C1 C5 C4 -67.5(10) . .
C2 C1 C5 C10 -175.2(15) . .
C6 C1 C5 C10 -5(3) . .
Tb1 C1 C5 C10 117.6(17) . .
C2 C1 C5 Tb1 67.2(9) . .
C6 C1 C5 Tb1 -123.1(14) . .
C3 C4 C5 C1 0.5(17) . .
C9 C4 C5 C1 -174.3(13) . .
Tb1 C4 C5 C1 68.6(10) . .
C3 C4 C5 C10 175.4(16) . .
C9 C4 C5 C10 1(3) . .
Tb1 C4 C5 C10 -116.5(17) . .
C3 C4 C5 Tb1 -68.1(11) . .
C9 C4 C5 Tb1 117.1(15) . .
N1 Tb1 C5 C1 -149.2(10) . .
N2 Tb1 C5 C1 -73.6(13) . .
C1A Tb1 C5 C1 -21.8(8) . .
C5A Tb1 C5 C1 -63.0(10) . .
C2A Tb1 C5 C1 21(4) . .
C12 Tb1 C5 C1 57.5(13) . .
C4A Tb1 C5 C1 -102.8(15) . .
C15 Tb1 C5 C1 108.9(11) . .
C11 Tb1 C5 C1 79.1(12) . .
C3A Tb1 C5 C1 -136(2) . .
C13 Tb1 C5 C1 74.4(15) . .
C14 Tb1 C5 C1 117.1(11) . .
N1 Tb1 C5 C4 -36.2(11) . .
N2 Tb1 C5 C4 39.4(12) . .
C1A Tb1 C5 C4 91.2(14) . .
C5A Tb1 C5 C4 50.0(11) . .
C2A Tb1 C5 C4 134(6) . .
C12 Tb1 C5 C4 170.5(9) . .
C4A Tb1 C5 C4 10.2(10) . .
C15 Tb1 C5 C4 -138.1(10) . .
C11 Tb1 C5 C4 -167.9(10) . .
C3A Tb1 C5 C4 -23.2(12) . .
C13 Tb1 C5 C4 -172.6(9) . .
C14 Tb1 C5 C4 -129.8(10) . .
N1 Tb1 C5 C10 87.1(17) . .
N2 Tb1 C5 C10 162.7(15) . .
C1A Tb1 C5 C10 -146(2) . .
C5A Tb1 C5 C10 173(2) . .
C2A Tb1 C5 C10 -103(6) . .
C12 Tb1 C5 C10 -66.2(17) . .
C4A Tb1 C5 C10 133.5(19) . .
C15 Tb1 C5 C10 -14.8(17) . .
C11 Tb1 C5 C10 -44.6(17) . .
C3A Tb1 C5 C10 100(2) . .
C13 Tb1 C5 C10 -49.3(19) . .
C14 Tb1 C5 C10 -6.5(19) . .
C3A C4A C5A C1A 2.2(17) . .
C9A C4A C5A C1A 175.7(13) . .
Tb1 C4A C5A C1A -65.9(10) . .
C3A C4A C5A C10A -175.3(15) . .
C9A C4A C5A C10A -2(2) . .
Tb1 C4A C5A C10A 116.6(16) . .
C3A C4A C5A Tb1 68.1(10) . .
C9A C4A C5A Tb1 -118.4(13) . .
C2A C1A C5A C4A -2.5(16) . .
C6A C1A C5A C4A -177.5(15) . .
Tb1 C1A C5A C4A 68.2(11) . .
C2A C1A C5A C10A 174.6(17) . .
C6A C1A C5A C10A 0(3) . .
Tb1 C1A C5A C10A -114.6(18) . .
C2A C1A C5A Tb1 -70.7(10) . .
C6A C1A C5A Tb1 114.2(15) . .
N1 Tb1 C5A C4A 44.7(12) . .
N2 Tb1 C5A C4A 110.0(12) . .
C1A Tb1 C5A C4A -114.9(17) . .
C2A Tb1 C5A C4A -75.2(11) . .
C12 Tb1 C5A C4A -157.2(9) . .
C15 Tb1 C5A C4A -79.1(15) . .
C11 Tb1 C5A C4A -117.0(11) . .
C3A Tb1 C5A C4A -33.7(10) . .
C13 Tb1 C5A C4A 163.9(8) . .
C14 Tb1 C5A C4A 116(7) . .
N1 Tb1 C5A C1A 159.6(9) . .
N2 Tb1 C5A C1A -135.2(10) . .
C2A Tb1 C5A C1A 39.6(10) . .
C12 Tb1 C5A C1A -42.4(13) . .
C4A Tb1 C5A C1A 114.9(17) . .
C15 Tb1 C5A C1A 35.7(15) . .
C11 Tb1 C5A C1A -2.1(13) . .
C3A Tb1 C5A C1A 81.1(11) . .
C13 Tb1 C5A C1A -81.2(14) . .
C14 Tb1 C5A C1A -129(7) . .
N1 Tb1 C5A C10A -73(2) . .
N2 Tb1 C5A C10A -8(2) . .
C1A Tb1 C5A C10A 127(2) . .
C2A Tb1 C5A C10A 167(2) . .
C12 Tb1 C5A C10A 85(2) . .
C4A Tb1 C5A C10A -118(3) . .
C15 Tb1 C5A C10A 162.8(18) . .
C11 Tb1 C5A C10A 125(2) . .
C3A Tb1 C5A C10A -152(2) . .
C13 Tb1 C5A C10A 46(2) . .
C14 Tb1 C5A C10A -2(8) . .
N1 Tb1 C11 C15 -11.5(6) . .
N2 Tb1 C11 C15 -101.6(5) . .
C1A Tb1 C11 C15 144.3(6) . .
C5A Tb1 C11 C15 145.4(7) . .
C2A Tb1 C11 C15 113.9(6) . .
C12 Tb1 C11 C15 -115.7(7) . .
C4A Tb1 C11 C15 103.0(7) . .
C3A Tb1 C11 C15 91.6(6) . .
C13 Tb1 C11 C15 -78.5(6) . .
C14 Tb1 C11 C15 -38.3(5) . .
N1 Tb1 C11 C12 104.2(6) . .
N2 Tb1 C11 C12 14.1(7) . .
C1A Tb1 C11 C12 -100.0(7) . .
C5A Tb1 C11 C12 -98.9(8) . .
C2A Tb1 C11 C12 -130.4(7) . .
C4A Tb1 C11 C12 -141.3(8) . .
C15 Tb1 C11 C12 115.7(7) . .
C3A Tb1 C11 C12 -152.7(7) . .
C13 Tb1 C11 C12 37.2(6) . .
C14 Tb1 C11 C12 77.4(6) . .
N1 Tb1 C11 C16 -133.7(9) . .
N2 Tb1 C11 C16 136.2(9) . .
C1A Tb1 C11 C16 22.1(10) . .
C5A Tb1 C11 C16 23.2(12) . .
C2A Tb1 C11 C16 -8.3(10) . .
C12 Tb1 C11 C16 122.1(12) . .
C4A Tb1 C11 C16 -19.2(12) . .
C15 Tb1 C11 C16 -122.2(11) . .
C3A Tb1 C11 C16 -30.6(11) . .
C13 Tb1 C11 C16 159.3(11) . .
C14 Tb1 C11 C16 -160.5(11) . .
C15 C11 C12 C13 -1.5(10) . .
C16 C11 C12 C13 167.8(8) . .
Tb1 C11 C12 C13 -68.5(6) . .
C15 C11 C12 C17 -176.7(9) . .
C16 C11 C12 C17 -7.4(14) . .
Tb1 C11 C12 C17 116.3(9) . .
C15 C11 C12 Tb1 67.1(6) . .
C16 C11 C12 Tb1 -123.7(8) . .
N1 Tb1 C12 C11 -100.3(6) . .
N2 Tb1 C12 C11 -168.9(5) . .
C1A Tb1 C12 C11 86.6(7) . .
C5A Tb1 C12 C11 107.9(8) . .
C2A Tb1 C12 C11 53.2(8) . .
C4A Tb1 C12 C11 80.4(11) . .
C15 Tb1 C12 C11 -35.9(5) . .
C3A Tb1 C12 C11 39.2(9) . .
C13 Tb1 C12 C11 -114.1(8) . .
C14 Tb1 C12 C11 -76.7(6) . .
N1 Tb1 C12 C13 13.8(7) . .
N2 Tb1 C12 C13 -54.8(6) . .
C1A Tb1 C12 C13 -159.3(7) . .
C5A Tb1 C12 C13 -138.0(8) . .
C2A Tb1 C12 C13 167.3(8) . .
C4A Tb1 C12 C13 -165.5(10) . .
C15 Tb1 C12 C13 78.2(6) . .
C11 Tb1 C12 C13 114.1(8) . .
C3A Tb1 C12 C13 153.3(7) . .
C14 Tb1 C12 C13 37.4(5) . .
N1 Tb1 C12 C17 137.6(9) . .
N2 Tb1 C12 C17 69.0(10) . .
C1A Tb1 C12 C17 -35.4(11) . .
C5A Tb1 C12 C17 -14.1(13) . .
C2A Tb1 C12 C17 -68.9(11) . .
C4A Tb1 C12 C17 -41.7(15) . .
C15 Tb1 C12 C17 -158.0(11) . .
C11 Tb1 C12 C17 -122.1(12) . .
C3A Tb1 C12 C17 -82.9(11) . .
C13 Tb1 C12 C17 123.8(13) . .
C14 Tb1 C12 C17 161.3(11) . .
C11 C12 C13 C14 0.7(10) . .
C17 C12 C13 C14 175.8(9) . .
Tb1 C12 C13 C14 -67.9(6) . .
C11 C12 C13 C18 -173.1(8) . .
C17 C12 C13 C18 2.0(15) . .
Tb1 C12 C13 C18 118.3(9) . .
C11 C12 C13 Tb1 68.6(6) . .
C17 C12 C13 Tb1 -116.3(10) . .
N1 Tb1 C13 C12 -169.1(6) . .
N2 Tb1 C13 C12 125.2(6) . .
C1A Tb1 C13 C12 27.6(9) . .
C5A Tb1 C13 C12 71.8(11) . .
C2A Tb1 C13 C12 -18.1(11) . .
C4A Tb1 C13 C12 137(3) . .
C15 Tb1 C13 C12 -76.1(6) . .
C11 Tb1 C13 C12 -36.8(5) . .
C3A Tb1 C13 C12 -65.1(17) . .
C14 Tb1 C13 C12 -113.4(8) . .
N1 Tb1 C13 C14 -55.7(6) . .
N2 Tb1 C13 C14 -121.4(6) . .
C1A Tb1 C13 C14 141.0(7) . .
C5A Tb1 C13 C14 -174.8(9) . .
C2A Tb1 C13 C14 95.3(10) . .
C12 Tb1 C13 C14 113.4(8) . .
C4A Tb1 C13 C14 -110(3) . .
C15 Tb1 C13 C14 37.3(5) . .
C11 Tb1 C13 C14 76.6(5) . .
C3A Tb1 C13 C14 48.3(17) . .
N1 Tb1 C13 C18 65.9(12) . .
N2 Tb1 C13 C18 0.3(12) . .
C1A Tb1 C13 C18 -97.3(13) . .
C5A Tb1 C13 C18 -53.2(17) . .
C2A Tb1 C13 C18 -143.0(13) . .
C12 Tb1 C13 C18 -124.9(15) . .
C4A Tb1 C13 C18 12(4) . .
C15 Tb1 C13 C18 159.0(14) . .
C11 Tb1 C13 C18 -161.7(14) . .
C3A Tb1 C13 C18 169.9(15) . .
C14 Tb1 C13 C18 121.7(15) . .
C12 C13 C14 C15 0.4(9) . .
C18 C13 C14 C15 174.4(8) . .
Tb1 C13 C14 C15 -67.1(5) . .
C12 C13 C14 C19 -172.8(8) . .
C18 C13 C14 C19 1.2(13) . .
Tb1 C13 C14 C19 119.7(8) . .
C12 C13 C14 Tb1 67.5(6) . .
C18 C13 C14 Tb1 -118.5(9) . .
N1 Tb1 C14 C13 124.1(6) . .
N2 Tb1 C14 C13 58.3(6) . .
C1A Tb1 C14 C13 -72.0(11) . .
C5A Tb1 C14 C13 52(7) . .
C2A Tb1 C14 C13 -115.8(8) . .
C12 Tb1 C14 C13 -37.4(5) . .
C4A Tb1 C14 C13 162.5(8) . .
C15 Tb1 C14 C13 -114.1(8) . .
C11 Tb1 C14 C13 -77.1(6) . .
C3A Tb1 C14 C13 -159.7(7) . .
N1 Tb1 C14 C15 -121.7(6) . .
N2 Tb1 C14 C15 172.4(5) . .
C1A Tb1 C14 C15 42.2(12) . .
C5A Tb1 C14 C15 166(7) . .
C2A Tb1 C14 C15 -1.7(8) . .
C12 Tb1 C14 C15 76.8(6) . .
C4A Tb1 C14 C15 -83.3(9) . .
C11 Tb1 C14 C15 37.0(5) . .
C3A Tb1 C14 C15 -45.5(8) . .
C13 Tb1 C14 C15 114.1(8) . .
N1 Tb1 C14 C19 1.1(10) . .
N2 Tb1 C14 C19 -64.8(11) . .
C1A Tb1 C14 C19 165.0(11) . .
C5A Tb1 C14 C19 -71(7) . .
C2A Tb1 C14 C19 121.1(11) . .
C12 Tb1 C14 C19 -160.4(12) . .
C4A Tb1 C14 C19 39.5(14) . .
C15 Tb1 C14 C19 122.8(13) . .
C11 Tb1 C14 C19 159.8(12) . .
C3A Tb1 C14 C19 77.3(12) . .
C13 Tb1 C14 C19 -123.1(13) . .
C12 C11 C15 C14 1.7(9) . .
C16 C11 C15 C14 -167.6(7) . .
Tb1 C11 C15 C14 68.5(5) . .
C12 C11 C15 C20 178.5(8) . .
C16 C11 C15 C20 9.2(13) . .
Tb1 C11 C15 C20 -114.7(8) . .
C12 C11 C15 Tb1 -66.8(6) . .
C16 C11 C15 Tb1 123.9(8) . .
C13 C14 C15 C11 -1.2(9) . .
C19 C14 C15 C11 172.0(8) . .
Tb1 C14 C15 C11 -68.7(5) . .
C13 C14 C15 C20 -178.1(8) . .
C19 C14 C15 C20 -4.9(13) . .
Tb1 C14 C15 C20 114.5(8) . .
C13 C14 C15 Tb1 67.5(5) . .
C19 C14 C15 Tb1 -119.3(8) . .
N1 Tb1 C15 C11 170.8(5) . .
N2 Tb1 C15 C11 103.3(5) . .
C1A Tb1 C15 C11 -43.8(7) . .
C5A Tb1 C15 C11 -65.3(10) . .
C2A Tb1 C15 C11 -68.4(6) . .
C12 Tb1 C15 C11 36.2(5) . .
C4A Tb1 C15 C11 -110.8(7) . .
C3A Tb1 C15 C11 -100.1(6) . .
C13 Tb1 C15 C11 76.1(6) . .
C14 Tb1 C15 C11 112.9(7) . .
N1 Tb1 C15 C14 57.9(6) . .
N2 Tb1 C15 C14 -9.6(7) . .
C1A Tb1 C15 C14 -156.6(6) . .
C5A Tb1 C15 C14 -178.2(9) . .
C2A Tb1 C15 C14 178.7(6) . .
C12 Tb1 C15 C14 -76.7(6) . .
C4A Tb1 C15 C14 136.3(7) . .
C11 Tb1 C15 C14 -112.9(7) . .
C3A Tb1 C15 C14 147.1(7) . .
C13 Tb1 C15 C14 -36.8(6) . .
N1 Tb1 C15 C20 -65.1(8) . .
N2 Tb1 C15 C20 -132.6(8) . .
C1A Tb1 C15 C20 80.4(9) . .
C5A Tb1 C15 C20 58.8(13) . .
C2A Tb1 C15 C20 55.7(9) . .
C12 Tb1 C15 C20 160.3(9) . .
C4A Tb1 C15 C20 13.3(11) . .
C11 Tb1 C15 C20 124.2(10) . .
C3A Tb1 C15 C20 24.1(9) . .
C13 Tb1 C15 C20 -159.8(10) . .
C14 Tb1 C15 C20 -123.0(11) . .
C22 N1 C21 N2 1.4(8) . 5_656
Tb1 N1 C21 N2 -174.5(4) . 5_656
C22 N1 C21 C21 -178.7(7) . 5_656
Tb1 N1 C21 C21 5.4(9) . 5_656
C21 N1 C22 C23 -1.7(9) . .
Tb1 N1 C22 C23 173.9(5) . .
N1 C22 C23 C24 0.5(10) . 5_656
C21 N2 C24 C23 1.5(9) 5_656 5_656
Tb1 N2 C24 C23 -172.8(5) . 5_656
C30 C25 C26 C27 0.0(12) . .
B28 C25 C26 C27 179.9(7) . .
C25 C26 C27 C28 2.9(13) . .
C26 C27 C28 C29 -6.0(12) . .
C27 C28 C29 C30 6.5(12) . .
C26 C25 C30 C29 0.4(11) . .
B28 C25 C30 C29 -179.5(7) . .
C28 C29 C30 C25 -3.8(12) . .
C36 C31 C32 C33 -4.7(11) . .
B28 C31 C32 C33 171.7(7) . .
C31 C32 C33 C34 0.9(14) . .
C32 C33 C34 C35 4.2(14) . .
C33 C34 C35 C36 -5.3(13) . .
C32 C31 C36 C35 3.6(11) . .
B28 C31 C36 C35 -172.6(6) . .
C34 C35 C36 C31 1.3(12) . .
C26 C25 B28 C25 -38.1(6) . 2_656
C30 C25 B28 C25 141.8(9) . 2_656
C26 C25 B28 C31 81.8(9) . .
C30 C25 B28 C31 -98.3(8) . .
C26 C25 B28 C31 -157.8(7) . 2_656
C30 C25 B28 C31 22.1(10) . 2_656
C36 C31 B28 C25 -15.0(9) . .
C32 C31 B28 C25 169.0(6) . .
C36 C31 B28 C25 104.0(7) . 2_656
C32 C31 B28 C25 -72.0(9) . 2_656
C36 C31 B28 C31 -135.6(7) . 2_656
C32 C31 B28 C31 48.4(6) . 2_656
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.140 0.250 0.610 1005 268 ' '
2 -0.007 0.750 0.243 1005 268 ' '
