#------------------------------------------------------------------------------
#$Date: 2019-11-23 11:31:46 +0100 (Sat 23 de Nov de 2019) $
#$Revision: 233293 $
#$URL: svn://www.crystallography.net/cod/cif/7/23/57/7235748.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_7235748
loop_
_publ_author_name
'Karra, Jagadeswara R.'
'Jasuja, Himanshu'
'Huang, You-Gui'
'Walton, Krista S.'
_publ_section_title
;
 Structural stability of BTTB-based metal--organic frameworks under humid
 conditions
;
_journal_issue                   4
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              1624
_journal_paper_doi               10.1039/C4TA01372G
_journal_volume                  3
_journal_year                    2015
_chemical_formula_sum            'C22 H8 N O4 Zn'
_chemical_formula_weight         415.66
_space_group_IT_number           74
_space_group_name_Hall           '-I 2b 2'
_space_group_name_H-M_alt        'I m m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'I m m a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   30.947(8)
_cell_length_b                   11.625(3)
_cell_length_c                   13.967(4)
_cell_measurement_temperature    296(2)
_cell_volume                     5025(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0706
_diffrn_reflns_av_sigmaI/netI    0.0371
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            46289
_diffrn_reflns_theta_full        29.38
_diffrn_reflns_theta_max         29.38
_diffrn_reflns_theta_min         1.32
_exptl_absorpt_coefficient_mu    0.998
_exptl_crystal_density_diffrn    1.099
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1672
_refine_diff_density_max         4.830
_refine_diff_density_min         -1.112
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         3691
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0727
_refine_ls_R_factor_gt           0.0639
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0863P)²+28.6375P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1667
_refine_ls_wR_factor_ref         0.1724
_reflns_number_gt                3189
_reflns_number_total             3691
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ta01372g2.cif
_cod_data_source_block           e:\reddy\red-17\h
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Orthorhombic' was changed
to 'orthorhombic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      Imma
_cod_database_code               7235748
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y+1/2, z'
'x, -y, -z'
'-x, y+1/2, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1, -z+1/2'
'-x, -y, -z'
'x, y-1/2, -z'
'-x, y, z'
'x, -y-1/2, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y, -z+1/2'
'-x+1/2, y+1/2, z+1/2'
'x+1/2, -y, 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
Zn1 Zn 0.5000 0.2500 0.30963(4) 0.01097(17) Uani 1 4 d S
Zn2 Zn 0.5000 0.2500 0.10230(4) 0.00924(17) Uani 1 4 d S
N2 N 0.5000 0.2500 -0.5461(3) 0.0185(10) Uani 1 4 d S
N1 N 0.5000 0.2500 -0.0437(3) 0.0136(8) Uani 1 4 d S
C12 C 0.5000 0.2500 -0.2407(4) 0.0137(10) Uani 1 4 d S
O2 O 0.45362(8) 0.3719(2) 0.12809(17) 0.0339(6) Uani 1 1 d .
C11 C 0.5000 0.3525(4) -0.1891(3) 0.0258(10) Uani 1 2 d S
H11 H 0.5000 0.4229 -0.2206 0.031 Uiso 1 2 calc SR
C9 C 0.43982(10) 0.4012(3) 0.2072(2) 0.0209(6) Uani 1 1 d .
C1 C 0.40157(10) 0.4800(3) 0.2121(2) 0.0221(6) Uani 1 1 d .
C10 C 0.5000 0.3477(4) -0.0912(3) 0.0242(9) Uani 1 2 d S
H10 H 0.5000 0.4162 -0.0569 0.029 Uiso 1 2 calc SR
C13 C 0.5000 0.2500 -0.3459(4) 0.0178(11) Uani 1 4 d S
C4 C 0.32898(10) 0.6213(3) 0.2270(3) 0.0293(8) Uani 1 1 d .
C7 C 0.28902(10) 0.6898(3) 0.2367(3) 0.0303(8) Uani 1 1 d .
C8 C 0.2500 0.6328(4) 0.2500 0.0452(17) Uani 1 2 d S
H8 H 0.2500 0.5528 0.2500 0.054 Uiso 1 2 calc SR
C2A C 0.3762(2) 0.4740(7) 0.2971(5) 0.0327(16) Uani 0.50 1 d P
C6A C 0.3725(2) 0.4813(6) 0.1377(5) 0.0280(14) Uani 0.50 1 d P
C5A C 0.3352(2) 0.5485(6) 0.1424(6) 0.0302(14) Uani 0.50 1 d P
C3A C 0.3401(2) 0.5445(7) 0.3072(5) 0.0330(16) Uani 0.50 1 d P
C14A C 0.5000 0.3501(13) -0.3995(11) 0.023(3) Uani 0.30 2 d SPU
C15A C 0.5000 0.3444(14) -0.4997(13) 0.034(4) Uani 0.30 2 d SPU
O1 O 0.45507(14) 0.3697(5) 0.2835(2) 0.0866(18) Uani 1 1 d .
C2B C 0.3972(2) 0.5602(6) 0.2870(5) 0.0283(14) Uani 0.50 1 d P
C3B C 0.3610(2) 0.6304(6) 0.2905(6) 0.0332(16) Uani 0.50 1 d P
C6B C 0.3891(2) 0.5484(6) 0.1393(5) 0.0260(13) Uani 0.50 1 d P
C5B C 0.3532(2) 0.6206(6) 0.1500(5) 0.0291(14) Uani 0.50 1 d P
C15B C 0.5254(4) 0.3197(12) -0.4975(7) 0.037(3) Uani 0.35 1 d P
C14B C 0.5252(5) 0.3260(13) -0.3957(7) 0.044(4) Uani 0.35 1 d P
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'
Zn Zn 0.2839 1.4301 '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
O1 Zn1 O1 158.95(17) 12_565 11_655
O1 Zn1 O1 88.0(3) 12_565 2_655
O1 Zn1 O1 88.1(4) 11_655 2_655
O1 Zn1 O1 88.1(4) 12_565 .
O1 Zn1 O1 88.0(3) 11_655 .
O1 Zn1 O1 158.95(17) 2_655 .
O1 Zn1 N2 100.53(9) 12_565 1_556
O1 Zn1 N2 100.53(9) 11_655 1_556
O1 Zn1 N2 100.53(9) 2_655 1_556
O1 Zn1 N2 100.53(9) . 1_556
O1 Zn1 Zn2 79.47(9) 12_565 .
O1 Zn1 Zn2 79.47(9) 11_655 .
O1 Zn1 Zn2 79.47(9) 2_655 .
O1 Zn1 Zn2 79.47(9) . .
N2 Zn1 Zn2 180.0 1_556 .
N1 Zn2 O2 100.12(7) . .
N1 Zn2 O2 100.12(7) . 11_655
O2 Zn2 O2 88.92(17) . 11_655
N1 Zn2 O2 100.12(7) . 12_565
O2 Zn2 O2 87.54(17) . 12_565
O2 Zn2 O2 159.76(14) 11_655 12_565
N1 Zn2 O2 100.12(7) . 2_655
O2 Zn2 O2 159.75(14) . 2_655
O2 Zn2 O2 87.54(17) 11_655 2_655
O2 Zn2 O2 88.92(17) 12_565 2_655
N1 Zn2 Zn1 180.0 . .
O2 Zn2 Zn1 79.88(7) . .
O2 Zn2 Zn1 79.88(7) 11_655 .
O2 Zn2 Zn1 79.88(7) 12_565 .
O2 Zn2 Zn1 79.88(7) 2_655 .
C15A N2 C15A 118.8(16) . 2_655
C15A N2 C15B 37.7(6) . .
C15A N2 C15B 105.5(8) 2_655 .
C15A N2 C15B 105.5(8) . 2_655
C15A N2 C15B 37.7(6) 2_655 2_655
C15B N2 C15B 118.1(9) . 2_655
C15A N2 C15B 105.5(8) . 12_565
C15A N2 C15B 37.7(6) 2_655 12_565
C15B N2 C15B 75.9(13) . 12_565
C15B N2 C15B 73.4(11) 2_655 12_565
C15A N2 C15B 37.7(6) . 11_655
C15A N2 C15B 105.5(8) 2_655 11_655
C15B N2 C15B 73.4(11) . 11_655
C15B N2 C15B 75.9(13) 2_655 11_655
C15B N2 C15B 118.1(9) 12_565 11_655
C15A N2 Zn1 120.6(8) . 1_554
C15A N2 Zn1 120.6(8) 2_655 1_554
C15B N2 Zn1 121.0(5) . 1_554
C15B N2 Zn1 121.0(5) 2_655 1_554
C15B N2 Zn1 121.0(5) 12_565 1_554
C15B N2 Zn1 121.0(5) 11_655 1_554
C10 N1 C10 119.5(5) 2_655 .
C10 N1 Zn2 120.3(2) 2_655 .
C10 N1 Zn2 120.3(2) . .
C11 C12 C11 117.6(5) . 2_655
C11 C12 C13 121.2(3) . .
C11 C12 C13 121.2(3) 2_655 .
C9 O2 Zn2 126.2(2) . .
C10 C11 C12 118.9(4) . .
C10 C11 H11 120.6 . .
C12 C11 H11 120.6 . .
O1 C9 O2 124.5(3) . .
O1 C9 C1 116.6(3) . .
O2 C9 C1 118.9(3) . .
C6B C1 C6A 40.1(4) . .
C6B C1 C2B 98.2(5) . .
C6A C1 C2B 119.5(4) . .
C6B C1 C2A 120.0(4) . .
C6A C1 C2A 105.7(5) . .
C2B C1 C2A 50.3(5) . .
C6B C1 C9 123.5(4) . .
C6A C1 C9 119.2(4) . .
C2B C1 C9 121.0(4) . .
C2A C1 C9 116.3(4) . .
N1 C10 C11 122.6(4) . .
N1 C10 H10 118.7 . .
C11 C10 H10 118.7 . .
C14B C13 C14B 118.9(9) . 2_655
C14B C13 C14B 80.4(14) . 12_565
C14B C13 C14B 69.5(14) 2_655 12_565
C14B C13 C14B 69.5(14) . 11_655
C14B C13 C14B 80.4(14) 2_655 11_655
C14B C13 C14B 118.9(9) 12_565 11_655
C14B C13 C14A 35.1(7) . .
C14B C13 C14A 105.5(7) 2_655 .
C14B C13 C14A 105.5(7) 12_565 .
C14B C13 C14A 35.1(7) 11_655 .
C14B C13 C14A 105.5(7) . 2_655
C14B C13 C14A 35.1(7) 2_655 2_655
C14B C13 C14A 35.1(7) 12_565 2_655
C14B C13 C14A 105.5(7) 11_655 2_655
C14A C13 C14A 114.5(14) . 2_655
C14B C13 C12 120.6(4) . .
C14B C13 C12 120.6(4) 2_655 .
C14B C13 C12 120.6(4) 12_565 .
C14B C13 C12 120.6(4) 11_655 .
C14A C13 C12 122.7(7) . .
C14A C13 C12 122.7(7) 2_655 .
C5B C4 C3B 97.0(5) . .
C5B C4 C5A 42.3(4) . .
C3B C4 C5A 119.0(4) . .
C5B C4 C3A 119.2(4) . .
C3B C4 C3A 50.9(5) . .
C5A C4 C3A 103.5(5) . .
C5B C4 C7 123.8(4) . .
C3B C4 C7 121.2(4) . .
C5A C4 C7 119.6(4) . .
C3A C4 C7 116.9(4) . .
C8 C7 C7 118.4(2) . 12_575
C8 C7 C4 118.9(3) . .
C7 C7 C4 122.63(17) 12_575 .
C7 C8 C7 123.1(4) 8_545 .
C7 C8 H8 118.4 8_545 .
C7 C8 H8 118.4 . .
C2B C2A C3A 87.4(6) . .
C2B C2A C1 64.2(5) . .
C3A C2A C1 119.8(6) . .
C2B C2A C3B 47.4(5) . .
C3A C2A C3B 40.1(4) . .
C1 C2A C3B 92.8(5) . .
C6B C6A C1 68.3(6) . .
C6B C6A C5A 89.2(7) . .
C1 C6A C5A 120.7(6) . .
C6B C6A C5B 53.7(6) . .
C1 C6A C5B 99.2(5) . .
C5A C6A C5B 35.7(4) . .
C5B C5A C6A 90.7(7) . .
C5B C5A C4 60.7(6) . .
C6A C5A C4 118.0(6) . .
C5B C5A C6B 56.8(5) . .
C6A C5A C6B 34.0(4) . .
C4 C5A C6B 98.8(5) . .
C3B C3A C2A 92.1(6) . .
C3B C3A C4 58.6(5) . .
C2A C3A C4 117.8(6) . .
C3B C3A C2B 50.4(5) . .
C2A C3A C2B 41.9(4) . .
C4 C3A C2B 92.8(5) . .
C14B C14A C14B 140(3) . 11_655
C14B C14A C13 71.5(14) . .
C14B C14A C13 71.5(14) 11_655 .
C14B C14A C15A 92.7(15) . .
C14B C14A C15A 92.7(15) 11_655 .
C13 C14A C15A 120.0(13) . .
C14B C14A C15B 115.9(17) . 11_655
C14B C14A C15B 61.5(12) 11_655 11_655
C13 C14A C15B 105.9(10) . 11_655
C15A C14A C15B 31.2(6) . 11_655
C14B C14A C15B 61.5(12) . .
C14B C14A C15B 115.9(17) 11_655 .
C13 C14A C15B 105.9(10) . .
C15A C14A C15B 31.2(6) . .
C15B C14A C15B 58.2(9) 11_655 .
C15B C15A C15B 140(3) . 11_655
C15B C15A N2 74.0(15) . .
C15B C15A N2 74.0(15) 11_655 .
C15B C15A C14A 88.9(16) . .
C15B C15A C14A 88.9(16) 11_655 .
N2 C15A C14A 123.3(14) . .
C15B C15A C14B 59.0(14) . .
C15B C15A C14B 111.5(18) 11_655 .
N2 C15A C14B 109.5(11) . .
C14A C15A C14B 29.9(7) . .
C15B C15A C14B 111.5(18) . 11_655
C15B C15A C14B 59.0(14) 11_655 11_655
N2 C15A C14B 109.5(11) . 11_655
C14A C15A C14B 29.9(7) . 11_655
C14B C15A C14B 56.0(11) . 11_655
C9 O1 Zn1 129.5(3) . .
C2A C2B C3B 92.9(6) . .
C2A C2B C1 65.6(5) . .
C3B C2B C1 119.5(6) . .
C2A C2B C3A 50.7(5) . .
C3B C2B C3A 42.3(4) . .
C1 C2B C3A 98.2(5) . .
C3A C3B C4 70.5(6) . .
C3A C3B C2B 87.3(6) . .
C4 C3B C2B 122.0(6) . .
C3A C3B C2A 47.8(5) . .
C4 C3B C2A 98.1(5) . .
C2B C3B C2A 39.7(4) . .
C3A C3B C5B 94.5(6) . .
C4 C3B C5B 41.1(3) . .
C2B C3B C5B 91.7(5) . .
C2A C3B C5B 91.3(4) . .
C6A C6B C1 71.5(6) . .
C6A C6B C5B 93.8(7) . .
C1 C6B C5B 120.0(6) . .
C6A C6B C5A 56.7(6) . .
C1 C6B C5A 105.5(5) . .
C5B C6B C5A 37.2(4) . .
C5A C5B C4 77.0(7) . .
C5A C5B C6B 86.0(7) . .
C4 C5B C6B 123.0(6) . .
C5A C5B C6A 53.6(5) . .
C4 C5B C6A 106.5(5) . .
C6B C5B C6A 32.5(4) . .
C5A C5B C3B 102.6(7) . .
C4 C5B C3B 41.9(3) . .
C6B C5B C3B 92.5(5) . .
C6A C5B C3B 96.3(5) . .
C15A C15B N2 68.3(15) . .
C15A C15B C14B 90.7(18) . .
N2 C15B C14B 122.9(9) . .
C15A C15B C15B 20.1(15) . 11_655
N2 C15B C15B 53.3(6) . 11_655
C14B C15B C15B 89.7(7) . 11_655
C15A C15B C15B 110.0(15) . 12_565
N2 C15B C15B 52.1(6) . 12_565
C14B C15B C15B 93.0(8) . 12_565
C15B C15B C15B 90.002(2) 11_655 12_565
C15A C15B C14A 59.9(15) . .
N2 C15B C14A 106.2(7) . .
C14B C15B C14A 30.8(7) . .
C15B C15B C14A 60.9(5) 11_655 .
C15B C15B C14A 102.6(7) 12_565 .
C14A C14B C13 73.4(14) . .
C14A C14B C15B 87.7(15) . .
C13 C14B C15B 118.5(9) . .
C14A C14B C14B 20.0(15) . 11_655
C13 C14B C14B 55.3(7) . 11_655
C15B C14B C14B 90.3(7) . 11_655
C14A C14B C15A 57.4(13) . .
C13 C14B C15A 105.0(8) . .
C15B C14B C15A 30.3(7) . .
C14B C14B C15A 62.0(5) 11_655 .
C14A C14B C14B 109.7(15) . 12_565
C13 C14B C14B 49.8(7) . 12_565
C15B C14B C14B 87.0(8) . 12_565
C14B C14B C14B 90.003(3) 11_655 12_565
C15A C14B C14B 97.4(8) . 12_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 2.001(3) 12_565
Zn1 O1 2.001(3) 11_655
Zn1 O1 2.001(3) 2_655
Zn1 O1 2.001(3) .
Zn1 N2 2.015(5) 1_556
Zn1 Zn2 2.8958(11) .
Zn2 N1 2.040(5) .
Zn2 O2 2.049(2) .
Zn2 O2 2.049(2) 11_655
Zn2 O2 2.049(2) 12_565
Zn2 O2 2.049(2) 2_655
N2 C15A 1.274(18) .
N2 C15A 1.274(18) 2_655
N2 C15B 1.318(9) .
N2 C15B 1.318(9) 2_655
N2 C15B 1.318(9) 12_565
N2 C15B 1.318(9) 11_655
N2 Zn1 2.015(5) 1_554
N1 C10 1.315(5) 2_655
N1 C10 1.315(5) .
C12 C11 1.393(5) .
C12 C11 1.393(5) 2_655
C12 C13 1.469(8) .
O2 C9 1.232(4) .
C11 C10 1.368(6) .
C11 H11 0.9300 .
C9 O1 1.221(4) .
C9 C1 1.499(4) .
C1 C6B 1.347(7) .
C1 C6A 1.375(8) .
C1 C2B 1.408(7) .
C1 C2A 1.424(7) .
C10 H10 0.9300 .
C13 C14B 1.369(11) .
C13 C14B 1.369(11) 2_655
C13 C14B 1.369(11) 12_565
C13 C14B 1.369(11) 11_655
C13 C14A 1.383(15) .
C13 C14A 1.383(15) 2_655
C4 C5B 1.311(8) .
C4 C3B 1.333(8) .
C4 C5A 1.466(8) .
C4 C3A 1.473(8) .
C4 C7 1.477(4) .
C7 C8 1.389(4) .
C7 C7 1.401(6) 12_575
C8 C7 1.389(4) 8_545
C8 H8 0.9300 .
C2A C2B 1.203(11) .
C2A C3A 1.394(9) .
C2A C3B 1.881(11) .
C6A C6B 0.935(10) .
C6A C5A 1.396(9) .
C6A C5B 1.735(10) .
C5A C5B 1.012(10) .
C5A C6B 1.670(9) .
C3A C3B 1.213(11) .
C3A C2B 1.800(10) .
C14A C14B 0.830(17) .
C14A C14B 0.830(17) 11_655
C14A C15A 1.40(2) .
C14A C15B 1.619(17) 11_655
C14A C15B 1.619(17) .
C15A C15B 0.839(14) .
C15A C15B 0.839(15) 11_655
C15A C14B 1.66(2) .
C15A C14B 1.66(2) 11_655
C2B C3B 1.388(9) .
C3B C5B 1.980(11) .
C6B C5B 1.401(8) .
C15B C14B 1.424(13) .
C15B C15B 1.58(2) 11_655
C15B C15B 1.62(3) 12_565
C14B C14B 1.56(3) 11_655
C14B C14B 1.77(3) 12_565
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
O1 Zn1 Zn2 N1 51(100) 12_565 .
O1 Zn1 Zn2 N1 -129(100) 11_655 .
O1 Zn1 Zn2 N1 141(100) 2_655 .
O1 Zn1 Zn2 N1 -39(100) . .
N2 Zn1 Zn2 N1 0(28) 1_556 .
O1 Zn1 Zn2 O2 89.7(2) 12_565 .
O1 Zn1 Zn2 O2 -90.3(2) 11_655 .
O1 Zn1 Zn2 O2 179.61(19) 2_655 .
O1 Zn1 Zn2 O2 -0.39(19) . .
N2 Zn1 Zn2 O2 -127(49) 1_556 .
O1 Zn1 Zn2 O2 -179.61(19) 12_565 11_655
O1 Zn1 Zn2 O2 0.39(19) 11_655 11_655
O1 Zn1 Zn2 O2 -89.7(2) 2_655 11_655
O1 Zn1 Zn2 O2 90.3(2) . 11_655
N2 Zn1 Zn2 O2 -36(48) 1_556 11_655
O1 Zn1 Zn2 O2 0.39(19) 12_565 12_565
O1 Zn1 Zn2 O2 -179.61(19) 11_655 12_565
O1 Zn1 Zn2 O2 90.3(2) 2_655 12_565
O1 Zn1 Zn2 O2 -89.7(2) . 12_565
N2 Zn1 Zn2 O2 144(41) 1_556 12_565
O1 Zn1 Zn2 O2 -90.3(2) 12_565 2_655
O1 Zn1 Zn2 O2 89.7(2) 11_655 2_655
O1 Zn1 Zn2 O2 -0.39(19) 2_655 2_655
O1 Zn1 Zn2 O2 179.61(19) . 2_655
N2 Zn1 Zn2 O2 53(42) 1_556 2_655
O2 Zn2 N1 C10 -134.65(9) . 2_655
O2 Zn2 N1 C10 134.64(9) 11_655 2_655
O2 Zn2 N1 C10 -45.36(9) 12_565 2_655
O2 Zn2 N1 C10 45.36(9) 2_655 2_655
Zn1 Zn2 N1 C10 -96(100) . 2_655
O2 Zn2 N1 C10 45.35(9) . .
O2 Zn2 N1 C10 -45.36(9) 11_655 .
O2 Zn2 N1 C10 134.64(9) 12_565 .
O2 Zn2 N1 C10 -134.64(9) 2_655 .
Zn1 Zn2 N1 C10 84(100) . .
N1 Zn2 O2 C9 176.6(3) . .
O2 Zn2 O2 C9 -83.3(3) 11_655 .
O2 Zn2 O2 C9 76.8(3) 12_565 .
O2 Zn2 O2 C9 -3.4(3) 2_655 .
Zn1 Zn2 O2 C9 -3.4(3) . .
C11 C12 C11 C10 0.0 2_655 .
C13 C12 C11 C10 180.0 . .
Zn2 O2 C9 O1 7.9(6) . .
Zn2 O2 C9 C1 -171.6(2) . .
O1 C9 C1 C6B 159.5(6) . .
O2 C9 C1 C6B -20.9(6) . .
O1 C9 C1 C6A -153.3(6) . .
O2 C9 C1 C6A 26.3(6) . .
O1 C9 C1 C2B 32.9(7) . .
O2 C9 C1 C2B -147.5(5) . .
O1 C9 C1 C2A -24.8(6) . .
O2 C9 C1 C2A 154.8(5) . .
C10 N1 C10 C11 0.0 2_655 .
Zn2 N1 C10 C11 180.0 . .
C12 C11 C10 N1 0.0 . .
C11 C12 C13 C14B 41.4(9) . .
C11 C12 C13 C14B -138.6(9) 2_655 .
C11 C12 C13 C14B -138.6(9) . 2_655
C11 C12 C13 C14B 41.4(9) 2_655 2_655
C11 C12 C13 C14B 138.6(9) . 12_565
C11 C12 C13 C14B -41.4(9) 2_655 12_565
C11 C12 C13 C14B -41.4(9) . 11_655
C11 C12 C13 C14B 138.6(9) 2_655 11_655
C11 C12 C13 C14A 0.0 . .
C11 C12 C13 C14A 180.0 2_655 .
C11 C12 C13 C14A 180.0 . 2_655
C11 C12 C13 C14A 0.0 2_655 2_655
C5B C4 C7 C8 117.4(5) . .
C3B C4 C7 C8 -117.3(5) . .
C5A C4 C7 C8 67.5(6) . .
C3A C4 C7 C8 -58.6(6) . .
C5B C4 C7 C7 -65.1(5) . 12_575
C3B C4 C7 C7 60.1(6) . 12_575
C5A C4 C7 C7 -115.1(4) . 12_575
C3A C4 C7 C7 118.8(4) . 12_575
C7 C7 C8 C7 0.0 12_575 8_545
C4 C7 C8 C7 177.6(4) . 8_545
C6B C1 C2A C2B -74.5(7) . .
C6A C1 C2A C2B -115.5(6) . .
C9 C1 C2A C2B 109.6(5) . .
C6B C1 C2A C3A -4.1(10) . .
C6A C1 C2A C3A -45.1(9) . .
C2B C1 C2A C3A 70.4(8) . .
C9 C1 C2A C3A -180.0(6) . .
C6B C1 C2A C3B -35.5(7) . .
C6A C1 C2A C3B -76.4(6) . .
C2B C1 C2A C3B 39.1(5) . .
C9 C1 C2A C3B 148.7(4) . .
C2B C1 C6A C6B 65.4(8) . .
C2A C1 C6A C6B 118.3(7) . .
C9 C1 C6A C6B -108.5(6) . .
C6B C1 C6A C5A -75.4(8) . .
C2B C1 C6A C5A -10.0(10) . .
C2A C1 C6A C5A 42.9(9) . .
C9 C1 C6A C5A 176.2(6) . .
C6B C1 C6A C5B -44.7(6) . .
C2B C1 C6A C5B 20.6(7) . .
C2A C1 C6A C5B 73.5(6) . .
C9 C1 C6A C5B -153.2(4) . .
C6B C6A C5A C5B -4.6(9) . .
C1 C6A C5A C5B 59.5(9) . .
C6B C6A C5A C4 -61.4(9) . .
C1 C6A C5A C4 2.7(10) . .
C5B C6A C5A C4 -56.8(7) . .
C1 C6A C5A C6B 64.1(8) . .
C5B C6A C5A C6B 4.6(9) . .
C3B C4 C5A C5B -66.2(8) . .
C3A C4 C5A C5B -118.8(6) . .
C7 C4 C5A C5B 109.1(6) . .
C5B C4 C5A C6A 73.6(8) . .
C3B C4 C5A C6A 7.3(9) . .
C3A C4 C5A C6A -45.2(8) . .
C7 C4 C5A C6A -177.3(5) . .
C5B C4 C5A C6B 43.8(5) . .
C3B C4 C5A C6B -22.4(7) . .
C3A C4 C5A C6B -75.0(5) . .
C7 C4 C5A C6B 152.9(4) . .
C2B C2A C3A C3B 4.4(7) . .
C1 C2A C3A C3B -53.7(9) . .
C2B C2A C3A C4 59.6(8) . .
C1 C2A C3A C4 1.5(11) . .
C3B C2A C3A C4 55.2(6) . .
C1 C2A C3A C2B -58.1(6) . .
C3B C2A C3A C2B -4.4(7) . .
C5B C4 C3A C3B 74.1(7) . .
C5A C4 C3A C3B 116.6(5) . .
C7 C4 C3A C3B -109.6(5) . .
C5B C4 C3A C2A 0.0(10) . .
C3B C4 C3A C2A -74.2(8) . .
C5A C4 C3A C2A 42.5(8) . .
C7 C4 C3A C2A 176.2(6) . .
C5B C4 C3A C2B 35.2(7) . .
C3B C4 C3A C2B -38.9(5) . .
C5A C4 C3A C2B 77.7(5) . .
C7 C4 C3A C2B -148.6(4) . .
C14B C13 C14A C14B -118.4(13) 2_655 .
C14B C13 C14A C14B -45.9(17) 12_565 .
C14B C13 C14A C14B -164(3) 11_655 .
C14A C13 C14A C14B -82.2(13) 2_655 .
C12 C13 C14A C14B 97.8(13) . .
C14B C13 C14A C14B 164(3) . 11_655
C14B C13 C14A C14B 45.9(17) 2_655 11_655
C14B C13 C14A C14B 118.4(13) 12_565 11_655
C14A C13 C14A C14B 82.2(13) 2_655 11_655
C12 C13 C14A C14B -97.8(13) . 11_655
C14B C13 C14A C15A 82.2(13) . .
C14B C13 C14A C15A -36.3(7) 2_655 .
C14B C13 C14A C15A 36.3(7) 12_565 .
C14B C13 C14A C15A -82.2(13) 11_655 .
C14A C13 C14A C15A 0.000(2) 2_655 .
C12 C13 C14A C15A 180.0 . .
C14B C13 C14A C15B 112.5(17) . 11_655
C14B C13 C14A C15B -5.9(9) 2_655 11_655
C14B C13 C14A C15B 66.6(8) 12_565 11_655
C14B C13 C14A C15B -51.8(11) 11_655 11_655
C14A C13 C14A C15B 30.4(5) 2_655 11_655
C12 C13 C14A C15B -149.6(5) . 11_655
C14B C13 C14A C15B 51.8(11) . .
C14B C13 C14A C15B -66.6(8) 2_655 .
C14B C13 C14A C15B 5.9(9) 12_565 .
C14B C13 C14A C15B -112.5(17) 11_655 .
C14A C13 C14A C15B -30.4(5) 2_655 .
C12 C13 C14A C15B 149.6(5) . .
C15A N2 C15A C15B 77.7(14) 2_655 .
C15B N2 C15A C15B 116.1(14) 2_655 .
C15B N2 C15A C15B 39.4(15) 12_565 .
C15B N2 C15A C15B 155(3) 11_655 .
Zn1 N2 C15A C15B -102.3(14) 1_554 .
C15A N2 C15A C15B -77.7(14) 2_655 11_655
C15B N2 C15A C15B -155(3) . 11_655
C15B N2 C15A C15B -39.4(15) 2_655 11_655
C15B N2 C15A C15B -116.1(14) 12_565 11_655
Zn1 N2 C15A C15B 102.3(14) 1_554 11_655
C15A N2 C15A C14A 0.000(1) 2_655 .
C15B N2 C15A C14A -77.7(14) . .
C15B N2 C15A C14A 38.3(6) 2_655 .
C15B N2 C15A C14A -38.3(6) 12_565 .
C15B N2 C15A C14A 77.7(14) 11_655 .
Zn1 N2 C15A C14A 180.0 1_554 .
C15A N2 C15A C14B 29.9(6) 2_655 .
C15B N2 C15A C14B -47.9(11) . .
C15B N2 C15A C14B 68.2(8) 2_655 .
C15B N2 C15A C14B -8.4(9) 12_565 .
C15B N2 C15A C14B 107.6(18) 11_655 .
Zn1 N2 C15A C14B -150.1(6) 1_554 .
C15A N2 C15A C14B -29.9(6) 2_655 11_655
C15B N2 C15A C14B -107.6(18) . 11_655
C15B N2 C15A C14B 8.4(9) 2_655 11_655
C15B N2 C15A C14B -68.2(8) 12_565 11_655
C15B N2 C15A C14B 47.9(11) 11_655 11_655
Zn1 N2 C15A C14B 150.1(6) 1_554 11_655
C14B C14A C15A C15B 0(2) . .
C14B C14A C15A C15B -140(2) 11_655 .
C13 C14A C15A C15B -69.9(15) . .
C15B C14A C15A C15B -140(3) 11_655 .
C14B C14A C15A C15B 140(2) . 11_655
C14B C14A C15A C15B 0(2) 11_655 11_655
C13 C14A C15A C15B 69.9(15) . 11_655
C15B C14A C15A C15B 140(3) . 11_655
C14B C14A C15A N2 70.2(15) . .
C14B C14A C15A N2 -70.2(15) 11_655 .
C13 C14A C15A N2 0.0 . .
C15B C14A C15A N2 -69.9(15) 11_655 .
C15B C14A C15A N2 69.9(15) . .
C14B C14A C15A C14B -140(3) 11_655 .
C13 C14A C15A C14B -70.2(15) . .
C15B C14A C15A C14B -140(2) 11_655 .
C15B C14A C15A C14B 0(2) . .
C14B C14A C15A C14B 140(3) . 11_655
C13 C14A C15A C14B 70.2(15) . 11_655
C15B C14A C15A C14B 0(2) 11_655 11_655
C15B C14A C15A C14B 140(2) . 11_655
O2 C9 O1 Zn1 -8.9(8) . .
C1 C9 O1 Zn1 170.7(4) . .
O1 Zn1 O1 C9 -75.0(6) 12_565 .
O1 Zn1 O1 C9 84.3(6) 11_655 .
O1 Zn1 O1 C9 4.6(5) 2_655 .
N2 Zn1 O1 C9 -175.4(5) 1_556 .
Zn2 Zn1 O1 C9 4.6(5) . .
C3A C2A C2B C3B -3.8(6) . .
C1 C2A C2B C3B 121.3(6) . .
C3A C2A C2B C1 -125.1(6) . .
C3B C2A C2B C1 -121.3(6) . .
C1 C2A C2B C3A 125.1(6) . .
C3B C2A C2B C3A 3.8(6) . .
C6B C1 C2B C2A 122.6(6) . .
C6A C1 C2B C2A 86.2(7) . .
C9 C1 C2B C2A -100.0(5) . .
C6B C1 C2B C3B 43.8(8) . .
C6A C1 C2B C3B 7.5(10) . .
C2A C1 C2B C3B -78.8(8) . .
C9 C1 C2B C3B -178.8(6) . .
C6B C1 C2B C3A 82.8(5) . .
C6A C1 C2B C3A 46.5(7) . .
C2A C1 C2B C3A -39.8(5) . .
C9 C1 C2B C3A -139.7(4) . .
C3B C3A C2B C2A -174.3(10) . .
C4 C3A C2B C2A -130.2(8) . .
C2A C3A C2B C3B 174.3(10) . .
C4 C3A C2B C3B 44.1(6) . .
C3B C3A C2B C1 -125.5(8) . .
C2A C3A C2B C1 48.8(6) . .
C4 C3A C2B C1 -81.4(5) . .
C2A C3A C3B C4 121.6(6) . .
C2B C3A C3B C4 125.4(6) . .
C2A C3A C3B C2B -3.8(6) . .
C4 C3A C3B C2B -125.4(6) . .
C4 C3A C3B C2A -121.6(6) . .
C2B C3A C3B C2A 3.8(6) . .
C2A C3A C3B C5B 87.7(6) . .
C4 C3A C3B C5B -33.9(3) . .
C2B C3A C3B C5B 91.5(5) . .
C5B C4 C3B C3A -122.2(5) . .
C5A C4 C3B C3A -83.8(6) . .
C7 C4 C3B C3A 100.9(5) . .
C5B C4 C3B C2B -48.5(9) . .
C5A C4 C3B C2B -10.1(10) . .
C3A C4 C3B C2B 73.7(8) . .
C7 C4 C3B C2B 174.7(6) . .
C5B C4 C3B C2A -82.6(5) . .
C5A C4 C3B C2A -44.3(7) . .
C3A C4 C3B C2A 39.6(5) . .
C7 C4 C3B C2A 140.5(4) . .
C5A C4 C3B C5B 38.4(5) . .
C3A C4 C3B C5B 122.2(5) . .
C7 C4 C3B C5B -136.9(6) . .
C2A C2B C3B C3A 4.4(7) . .
C1 C2B C3B C3A 67.8(8) . .
C2A C2B C3B C4 -60.6(9) . .
C1 C2B C3B C4 2.8(11) . .
C3A C2B C3B C4 -65.0(7) . .
C1 C2B C3B C2A 63.4(6) . .
C3A C2B C3B C2A -4.4(7) . .
C2A C2B C3B C5B -90.1(6) . .
C1 C2B C3B C5B -26.6(7) . .
C3A C2B C3B C5B -94.4(6) . .
C2B C2A C3B C3A -174.1(10) . .
C1 C2A C3B C3A 135.6(8) . .
C2B C2A C3B C4 131.7(8) . .
C3A C2A C3B C4 -54.2(7) . .
C1 C2A C3B C4 81.4(5) . .
C3A C2A C3B C2B 174.1(10) . .
C1 C2A C3B C2B -50.4(6) . .
C2B C2A C3B C5B 91.1(7) . .
C3A C2A C3B C5B -94.9(7) . .
C1 C2A C3B C5B 40.7(5) . .
C5A C6A C6B C1 123.7(5) . .
C5B C6A C6B C1 120.4(6) . .
C1 C6A C6B C5B -120.4(6) . .
C5A C6A C6B C5B 3.3(6) . .
C1 C6A C6B C5A -123.7(5) . .
C5B C6A C6B C5A -3.3(6) . .
C2B C1 C6B C6A -126.9(6) . .
C2A C1 C6B C6A -78.4(8) . .
C9 C1 C6B C6A 97.1(6) . .
C6A C1 C6B C5B 83.6(8) . .
C2B C1 C6B C5B -43.3(8) . .
C2A C1 C6B C5B 5.1(10) . .
C9 C1 C6B C5B -179.3(5) . .
C6A C1 C6B C5A 46.2(6) . .
C2B C1 C6B C5A -80.7(6) . .
C2A C1 C6B C5A -32.2(8) . .
C9 C1 C6B C5A 143.3(4) . .
C5B C5A C6B C6A 174.5(11) . .
C4 C5A C6B C6A 128.4(8) . .
C5B C5A C6B C1 119.6(8) . .
C6A C5A C6B C1 -54.9(7) . .
C4 C5A C6B C1 73.5(6) . .
C6A C5A C6B C5B -174.5(11) . .
C4 C5A C6B C5B -46.1(6) . .
C6A C5A C5B C4 -122.1(6) . .
C6B C5A C5B C4 -125.2(6) . .
C6A C5A C5B C6B 3.1(6) . .
C4 C5A C5B C6B 125.2(6) . .
C4 C5A C5B C6A 122.1(6) . .
C6B C5A C5B C6A -3.1(6) . .
C6A C5A C5B C3B -88.6(6) . .
C4 C5A C5B C3B 33.5(3) . .
C6B C5A C5B C3B -91.7(5) . .
C3B C4 C5B C5A 126.3(6) . .
C3A C4 C5B C5A 77.5(7) . .
C7 C4 C5B C5A -98.5(6) . .
C3B C4 C5B C6B 49.9(8) . .
C5A C4 C5B C6B -76.4(8) . .
C3A C4 C5B C6B 1.1(10) . .
C7 C4 C5B C6B -174.9(6) . .
C3B C4 C5B C6A 81.0(6) . .
C5A C4 C5B C6A -45.3(5) . .
C3A C4 C5B C6A 32.2(7) . .
C7 C4 C5B C6A -143.8(4) . .
C5A C4 C5B C3B -126.3(6) . .
C3A C4 C5B C3B -48.8(6) . .
C7 C4 C5B C3B 135.3(6) . .
C6A C6B C5B C5A -4.6(9) . .
C1 C6B C5B C5A -75.4(9) . .
C6A C6B C5B C4 67.1(10) . .
C1 C6B C5B C4 -3.7(11) . .
C5A C6B C5B C4 71.7(8) . .
C1 C6B C5B C6A -70.8(8) . .
C5A C6B C5B C6A 4.6(9) . .
C6A C6B C5B C3B 97.8(7) . .
C1 C6B C5B C3B 27.0(7) . .
C5A C6B C5B C3B 102.5(7) . .
C6B C6A C5B C5A 174.3(11) . .
C1 C6A C5B C5A -131.4(8) . .
C6B C6A C5B C4 -126.3(9) . .
C1 C6A C5B C4 -72.0(6) . .
C5A C6A C5B C4 59.4(7) . .
C1 C6A C5B C6B 54.3(7) . .
C5A C6A C5B C6B -174.3(11) . .
C6B C6A C5B C3B -84.7(7) . .
C1 C6A C5B C3B -30.4(5) . .
C5A C6A C5B C3B 101.0(8) . .
C3A C3B C5B C5A -0.5(7) . .
C4 C3B C5B C5A -53.6(6) . .
C2B C3B C5B C5A 87.0(7) . .
C2A C3B C5B C5A 47.2(6) . .
C3A C3B C5B C4 53.2(5) . .
C2B C3B C5B C4 140.6(7) . .
C2A C3B C5B C4 100.9(5) . .
C3A C3B C5B C6B -86.9(6) . .
C4 C3B C5B C6B -140.1(7) . .
C2B C3B C5B C6B 0.5(6) . .
C2A C3B C5B C6B -39.2(5) . .
C3A C3B C5B C6A -54.5(6) . .
C4 C3B C5B C6A -107.7(6) . .
C2B C3B C5B C6A 32.9(6) . .
C2A C3B C5B C6A -6.8(5) . .
C15B C15A C15B N2 38(4) 11_655 .
C14A C15A C15B N2 125.2(11) . .
C14B C15A C15B N2 125.4(9) . .
C14B C15A C15B N2 105.1(14) 11_655 .
C15B C15A C15B C14B -87(4) 11_655 .
N2 C15A C15B C14B -125.4(9) . .
C14A C15A C15B C14B -0.1(13) . .
C14B C15A C15B C14B -20.2(15) 11_655 .
N2 C15A C15B C15B -38(4) . 11_655
C14A C15A C15B C15B 87(4) . 11_655
C14B C15A C15B C15B 87(4) . 11_655
C14B C15A C15B C15B 67(4) 11_655 11_655
C15B C15A C15B C15B 6(5) 11_655 12_565
N2 C15A C15B C15B -32.0(9) . 12_565
C14A C15A C15B C15B 93.3(11) . 12_565
C14B C15A C15B C15B 93.4(9) . 12_565
C14B C15A C15B C15B 73.2(16) 11_655 12_565
C15B C15A C15B C14A -87(4) 11_655 .
N2 C15A C15B C14A -125.2(11) . .
C14B C15A C15B C14A 0.1(13) . .
C14B C15A C15B C14A -20.1(11) 11_655 .
C15A N2 C15B C15A -117.3(19) 2_655 .
C15B N2 C15B C15A -78.8(14) 2_655 .
C15B N2 C15B C15A -140.9(14) 12_565 .
C15B N2 C15B C15A -15.4(17) 11_655 .
Zn1 N2 C15B C15A 101.2(14) 1_554 .
C15A N2 C15B C14B 76.1(19) . .
C15A N2 C15B C14B -41.2(16) 2_655 .
C15B N2 C15B C14B -2.7(11) 2_655 .
C15B N2 C15B C14B -64.8(16) 12_565 .
C15B N2 C15B C14B 60.7(17) 11_655 .
Zn1 N2 C15B C14B 177.3(11) 1_554 .
C15A N2 C15B C15B 15.4(17) . 11_655
C15A N2 C15B C15B -101.9(6) 2_655 11_655
C15B N2 C15B C15B -63.4(7) 2_655 11_655
C15B N2 C15B C15B -125.5(6) 12_565 11_655
Zn1 N2 C15B C15B 116.6(7) 1_554 11_655
C15A N2 C15B C15B 140.9(14) . 12_565
C15A N2 C15B C15B 23.6(6) 2_655 12_565
C15B N2 C15B C15B 62.1(6) 2_655 12_565
C15B N2 C15B C15B 125.5(6) 11_655 12_565
Zn1 N2 C15B C15B -117.9(6) 1_554 12_565
C15A N2 C15B C14A 47.4(14) . .
C15A N2 C15B C14A -69.9(11) 2_655 .
C15B N2 C15B C14A -31.4(6) 2_655 .
C15B N2 C15B C14A -93.5(10) 12_565 .
C15B N2 C15B C14A 32.0(12) 11_655 .
Zn1 N2 C15B C14A 148.6(6) 1_554 .
C14B C14A C15B C15A -180(2) . .
C14B C14A C15B C15A 45(2) 11_655 .
C13 C14A C15B C15A 122.2(17) . .
C15B C14A C15B C15A 23.1(17) 11_655 .
C14B C14A C15B N2 128.0(17) . .
C14B C14A C15B N2 -7(2) 11_655 .
C13 C14A C15B N2 70.0(10) . .
C15A C14A C15B N2 -52.2(15) . .
C15B C14A C15B N2 -29.1(11) 11_655 .
C14B C14A C15B C14B -135(3) 11_655 .
C13 C14A C15B C14B -58.0(14) . .
C15A C14A C15B C14B 180(2) . .
C15B C14A C15B C14B -157.1(17) 11_655 .
C14B C14A C15B C15B 157.1(17) . 11_655
C14B C14A C15B C15B 22.3(16) 11_655 11_655
C13 C14A C15B C15B 99.1(7) . 11_655
C15A C14A C15B C15B -23.1(17) . 11_655
C14B C14A C15B C15B 74.3(15) . 12_565
C14B C14A C15B C15B -60.6(18) 11_655 12_565
C13 C14A C15B C15B 16.3(5) . 12_565
C15A C14A C15B C15B -106.0(16) . 12_565
C15B C14A C15B C15B -82.9(4) 11_655 12_565
C14B C14A C14B C13 -23(4) 11_655 .
C15A C14A C14B C13 -120.8(11) . .
C15B C14A C14B C13 -99.2(14) 11_655 .
C15B C14A C14B C13 -120.7(9) . .
C14B C14A C14B C15B 97(4) 11_655 .
C13 C14A C14B C15B 120.7(9) . .
C15A C14A C14B C15B -0.1(13) . .
C15B C14A C14B C15B 21.5(15) 11_655 .
C13 C14A C14B C14B 23(4) . 11_655
C15A C14A C14B C14B -97(4) . 11_655
C15B C14A C14B C14B -76(4) 11_655 11_655
C15B C14A C14B C14B -97(4) . 11_655
C14B C14A C14B C15A 97(4) 11_655 .
C13 C14A C14B C15A 120.8(11) . .
C15B C14A C14B C15A 21.7(11) 11_655 .
C15B C14A C14B C15A 0.1(13) . .
C14B C14A C14B C14B 11(4) 11_655 12_565
C13 C14A C14B C14B 34.7(7) . 12_565
C15A C14A C14B C14B -86.2(11) . 12_565
C15B C14A C14B C14B -64.5(16) 11_655 12_565
C15B C14A C14B C14B -86.0(8) . 12_565
C14B C13 C14B C14A 75.4(13) 2_655 .
C14B C13 C14B C14A 135.4(14) 12_565 .
C14B C13 C14B C14A 9.6(17) 11_655 .
C14A C13 C14B C14A 110.7(18) 2_655 .
C12 C13 C14B C14A -104.6(13) . .
C14B C13 C14B C15B -2.5(10) 2_655 .
C14B C13 C14B C15B 57.6(17) 12_565 .
C14B C13 C14B C15B -68.3(16) 11_655 .
C14A C13 C14B C15B -77.9(17) . .
C14A C13 C14B C15B 32.8(17) 2_655 .
C12 C13 C14B C15B 177.5(10) . .
C14B C13 C14B C14B 65.8(7) 2_655 11_655
C14B C13 C14B C14B 125.9(6) 12_565 11_655
C14A C13 C14B C14B -9.6(17) . 11_655
C14A C13 C14B C14B 101.1(5) 2_655 11_655
C12 C13 C14B C14B -114.2(7) . 11_655
C14B C13 C14B C15A 26.9(7) 2_655 .
C14B C13 C14B C15A 86.9(12) 12_565 .
C14B C13 C14B C15A -38.9(12) 11_655 .
C14A C13 C14B C15A -48.5(14) . .
C14A C13 C14B C15A 62.2(12) 2_655 .
C12 C13 C14B C15A -153.1(7) . .
C14B C13 C14B C14B -60.0(8) 2_655 12_565
C14B C13 C14B C14B -125.9(6) 11_655 12_565
C14A C13 C14B C14B -135.4(14) . 12_565
C14A C13 C14B C14B -24.8(5) 2_655 12_565
C12 C13 C14B C14B 120.0(8) . 12_565
C15A C15B C14B C14A 0(2) . .
N2 C15B C14B C14A -64(2) . .
C15B C15B C14B C14A -19.9(15) 11_655 .
C15B C15B C14B C14A -109.8(15) 12_565 .
C15A C15B C14B C13 70(2) . .
N2 C15B C14B C13 5(2) . .
C15B C15B C14B C13 49.8(13) 11_655 .
C15B C15B C14B C13 -40.2(13) 12_565 .
C14A C15B C14B C13 69.7(15) . .
C15A C15B C14B C14B 20.1(15) . 11_655
N2 C15B C14B C14B -44.4(13) . 11_655
C15B C15B C14B C14B 0.001(2) 11_655 11_655
C15B C15B C14B C14B -89.98(4) 12_565 11_655
C14A C15B C14B C14B 19.9(15) . 11_655
N2 C15B C14B C15A -64.4(15) . .
C15B C15B C14B C15A -20.1(15) 11_655 .
C15B C15B C14B C15A -110.0(15) 12_565 .
C14A C15B C14B C15A 0(2) . .
C15A C15B C14B C14B 110.0(15) . 12_565
N2 C15B C14B C14B 45.6(12) . 12_565
C15B C15B C14B C14B 89.99(4) 11_655 12_565
C15B C15B C14B C14B 0.002(3) 12_565 12_565
C14A C15B C14B C14B 109.8(15) . 12_565
C15B C15A C14B C14A -180(3) . .
C15B C15A C14B C14A -44(2) 11_655 .
N2 C15A C14B C14A -123.5(17) . .
C14B C15A C14B C14A -22.6(17) 11_655 .
C15B C15A C14B C13 -121.3(18) . .
C15B C15A C14B C13 15(2) 11_655 .
N2 C15A C14B C13 -65.1(11) . .
C14A C15A C14B C13 58.4(15) . .
C14B C15A C14B C13 35.8(12) 11_655 .
C15B C15A C14B C15B 136(3) 11_655 .
N2 C15A C14B C15B 56.3(14) . .
C14A C15A C14B C15B 180(3) . .
C14B C15A C14B C15B 157.1(17) 11_655 .
C15B C15A C14B C14B -157.1(17) . 11_655
C15B C15A C14B C14B -21.0(16) 11_655 11_655
N2 C15A C14B C14B -100.9(7) . 11_655
C14A C15A C14B C14B 22.6(17) . 11_655
C15B C15A C14B C14B -71.1(15) . 12_565
C15B C15A C14B C14B 65.1(19) 11_655 12_565
N2 C15A C14B C14B -14.8(6) . 12_565
C14A C15A C14B C14B 108.7(16) . 12_565
C14B C15A C14B C14B 86.1(4) 11_655 12_565
