#------------------------------------------------------------------------------
#$Date: 2019-11-23 23:06:07 +0200 (Sat, 23 Nov 2019) $
#$Revision: 235503 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/64/7236428.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_7236428
loop_
_publ_author_name
'Wang, Hui'
'Tian, Xiaohe'
'Du, Wei'
'Zhang, Qiong'
'Guan, Lijuan'
'Wang, Aidong'
'Zhang, Yujin'
'Wang, Chuankui'
'Zhou, Hongping'
'Wu, Jieying'
'Tian, Yupeng'
_publ_section_title
;
 A two-photon fluorescent RNA probe screened from a series of
 oxime-functionalized 2,2′:6′,2′′-terpyridine
 ZnX2(X = Cl, Br, I) complexes
;
_journal_issue                   28
_journal_name_full               'Journal of Materials Chemistry B'
_journal_page_first              4818
_journal_paper_doi               10.1039/C6TB01202G
_journal_volume                  4
_journal_year                    2016
_chemical_formula_sum            'C35 H27 Br2 Cl2 N5 O Zn'
_chemical_formula_weight         829.70
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-02-24 deposited with the CCDC.
2016-06-16 downloaded from the CCDC.
;
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 91.805(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   11.057(5)
_cell_length_b                   14.625(5)
_cell_length_c                   21.079(5)
_cell_measurement_reflns_used    6615
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.59
_cell_measurement_theta_min      2.31
_cell_volume                     3407(2)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_av_unetI/netI     0.0282
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            23690
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         1.695
_exptl_absorpt_coefficient_mu    3.260
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_description       block
_exptl_crystal_F_000             1656
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.341
_refine_diff_density_min         -1.320
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         5963
_refine_ls_number_restraints     133
_refine_ls_restrained_S_all      1.128
_refine_ls_R_factor_all          0.0936
_refine_ls_R_factor_gt           0.0705
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.1749P)²+0.5403P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2269
_refine_ls_wR_factor_ref         0.2453
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4338
_reflns_number_total             5963
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6tb01202g2.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7236428
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.441
_shelx_estimated_absorpt_t_max   0.562
_shelxl_version_number           2013-2
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Br1 Br -0.15866(7) 1.25288(4) 1.01411(4) 0.0687(3) Uani 1 1 d . . . . .
Br2 Br -0.00643(9) 1.31926(5) 1.18563(4) 0.0862(4) Uani 1 1 d . . . . .
C1 C 0.6026(11) 0.5518(6) 0.8383(4) 0.093(3) Uani 1 1 d . . . . .
H1 H 0.6659 0.5099 0.8398 0.112 Uiso 1 1 calc R U . . .
C2 C 0.4878(14) 0.5209(7) 0.8410(4) 0.114(4) Uani 1 1 d . . . . .
H2C H 0.4724 0.4585 0.8436 0.137 Uiso 1 1 calc R U . . .
C3 C 0.3931(10) 0.5832(7) 0.8397(4) 0.097(3) Uani 1 1 d . . . . .
H3 H 0.3143 0.5620 0.8431 0.116 Uiso 1 1 calc R U . . .
C4 C 0.4133(8) 0.6756(5) 0.8335(4) 0.078(2) Uani 1 1 d . . . . .
H4 H 0.3496 0.7171 0.8319 0.093 Uiso 1 1 calc R U . . .
C5 C 0.6283(8) 0.6422(5) 0.8335(3) 0.074(2) Uani 1 1 d . . . . .
H5 H 0.7083 0.6617 0.8327 0.089 Uiso 1 1 calc R U . . .
C6 C 0.5356(6) 0.7049(4) 0.8298(3) 0.0585(16) Uani 1 1 d . . . . .
C7 C 0.6511(5) 0.8291(4) 0.7825(3) 0.0495(14) Uani 1 1 d . . . . .
C8 C 0.6684(6) 0.7824(4) 0.7247(3) 0.0578(15) Uani 1 1 d . . . . .
H8 H 0.6163 0.7350 0.7129 0.069 Uiso 1 1 calc R U . . .
C9 C 0.7587(6) 0.8054(4) 0.6865(3) 0.0610(17) Uani 1 1 d . . . . .
H9 H 0.7718 0.7716 0.6500 0.073 Uiso 1 1 calc R U . . .
C10 C 0.8321(5) 0.8793(5) 0.7015(3) 0.0604(15) Uani 1 1 d D U . . .
C11 C 0.8121(6) 0.9293(4) 0.7550(3) 0.0551(14) Uani 1 1 d . . . . .
H11 H 0.8584 0.9812 0.7636 0.066 Uiso 1 1 calc R U . . .
C12 C 0.7246(5) 0.9037(4) 0.7960(3) 0.0545(15) Uani 1 1 d . . . . .
H12 H 0.7144 0.9367 0.8332 0.065 Uiso 1 1 calc R U . . .
C14 C 0.4996(5) 0.8654(4) 0.8614(3) 0.0491(13) Uani 1 1 d . . . . .
C15 C 0.4669(5) 0.8401(4) 0.9224(3) 0.0521(14) Uani 1 1 d . . . . .
H15 H 0.4885 0.7830 0.9385 0.063 Uiso 1 1 calc R U . . .
C16 C 0.4024(5) 0.9003(4) 0.9586(3) 0.0496(14) Uani 1 1 d . . . . .
H16 H 0.3797 0.8826 0.9989 0.060 Uiso 1 1 calc R U . . .
C17 C 0.3702(5) 0.9875(4) 0.9364(3) 0.0451(12) Uani 1 1 d . . . . .
C18 C 0.4705(6) 0.9511(4) 0.8400(3) 0.0546(15) Uani 1 1 d . . . . .
H18 H 0.4939 0.9687 0.7998 0.066 Uiso 1 1 calc R U . . .
C19 C 0.4070(5) 1.0127(4) 0.8765(3) 0.0518(14) Uani 1 1 d . . . . .
H19 H 0.3892 1.0708 0.8608 0.062 Uiso 1 1 calc R U . . .
C20 C 0.2927(5) 1.0479(4) 0.9747(2) 0.0448(12) Uani 1 1 d . . . . .
C21 C 0.2083(5) 1.0110(4) 1.0139(2) 0.0425(12) Uani 1 1 d . . . . .
H21 H 0.2005 0.9478 1.0169 0.051 Uiso 1 1 calc R U . . .
C22 C 0.1352(5) 1.0668(3) 1.0489(2) 0.0396(11) Uani 1 1 d . . . . .
C23 C 0.3021(5) 1.1428(4) 0.9719(3) 0.0461(13) Uani 1 1 d . . . . .
H23 H 0.3578 1.1701 0.9457 0.055 Uiso 1 1 calc R U . . .
C24 C 0.2276(5) 1.1962(4) 1.0084(3) 0.0455(13) Uani 1 1 d . . . . .
C25 C 0.2280(6) 1.2977(4) 1.0103(3) 0.0522(14) Uani 1 1 d . . . . .
C26 C 0.3169(7) 1.3501(5) 0.9812(3) 0.0686(18) Uani 1 1 d . . . . .
H26 H 0.3805 1.3222 0.9608 0.082 Uiso 1 1 calc R U . . .
C27 C 0.3075(9) 1.4448(5) 0.9837(4) 0.092(3) Uani 1 1 d . . . . .
H27 H 0.3639 1.4815 0.9640 0.110 Uiso 1 1 calc R U . . .
C28 C 0.2125(9) 1.4843(5) 1.0161(4) 0.086(2) Uani 1 1 d . . . . .
H28 H 0.2046 1.5475 1.0189 0.103 Uiso 1 1 calc R U . . .
C29 C 0.1320(7) 1.4279(5) 1.0434(4) 0.074(2) Uani 1 1 d . . . . .
H29 H 0.0688 1.4541 1.0651 0.089 Uiso 1 1 calc R U . . .
C30 C 0.0255(5) 0.9423(4) 1.1072(3) 0.0495(13) Uani 1 1 d . . . . .
H30 H 0.0690 0.8971 1.0868 0.059 Uiso 1 1 calc R U . . .
C31 C 0.0425(5) 1.0348(4) 1.0931(2) 0.0420(12) Uani 1 1 d . . . . .
C32 C -0.0590(6) 0.9193(4) 1.1531(3) 0.0605(16) Uani 1 1 d . . . . .
H32 H -0.0717 0.8585 1.1639 0.073 Uiso 1 1 calc R U . . .
C33 C -0.1224(6) 0.9874(5) 1.1817(3) 0.0630(17) Uani 1 1 d . . . . .
H33 H -0.1772 0.9739 1.2129 0.076 Uiso 1 1 calc R U . . .
C34 C -0.1033(6) 1.0754(5) 1.1635(3) 0.0588(16) Uani 1 1 d . . . . .
H34 H -0.1487 1.1211 1.1821 0.071 Uiso 1 1 calc R U . . .
N1 N 0.5599(5) 0.8011(3) 0.8232(2) 0.0578(13) Uani 1 1 d . . . . .
C13 C 0.9333(8) 0.9131(7) 0.6648(4) 0.062(2) Uani 0.682(10) 1 d D U P A 1
H13 H 0.9686 0.9700 0.6723 0.075 Uiso 0.682(10) 1 calc R U P A 1
N2 N 0.9729(8) 0.8539(8) 0.6176(4) 0.082(2) Uani 0.682(10) 1 d D U P A 1
O1 O 1.0761(8) 0.8770(8) 0.5836(5) 0.120(3) Uani 0.682(10) 1 d D U P A 1
H1B H 1.1056 0.8228 0.5636 0.180 Uiso 0.682(10) 1 d R U P A 1
C13' C 0.9282(19) 0.8666(17) 0.6513(9) 0.075(3) Uani 0.318(10) 1 d D U P A 2
H13' H 0.9794 0.9170 0.6505 0.090 Uiso 0.318(10) 1 calc R U P A 2
N2' N 0.9627(17) 0.8000(12) 0.6052(7) 0.062(3) Uani 0.318(10) 1 d D U P A 2
O1' O 0.993(3) 0.8307(16) 0.5406(7) 0.131(5) Uani 0.318(10) 1 d D U P A 2
H1'2 H 0.9883 0.7999 0.5003 0.197 Uiso 0.318(10) 1 d R U P A 2
N3 N -0.0229(4) 1.1002(3) 1.1202(2) 0.0471(11) Uani 1 1 d . . . . .
N4 N 0.1444(4) 1.1585(3) 1.0450(2) 0.0425(10) Uani 1 1 d . . . . .
N5 N 0.1382(5) 1.3364(3) 1.0410(2) 0.0563(13) Uani 1 1 d . . . . .
Zn1 Zn 0.01442(7) 1.24072(4) 1.08790(3) 0.0502(3) Uani 1 1 d . . . . .
Cl1 Cl 0.6646(4) 0.1504(3) 0.8487(2) 0.1642(14) Uani 1 1 d . . . . .
Cl2 Cl 0.6890(4) 0.3277(2) 0.7926(3) 0.1794(17) Uani 1 1 d . . . . .
C35 C 0.7556(12) 0.2266(11) 0.8215(8) 0.158(6) Uani 1 1 d . . . . .
H35A H 0.8003 0.1990 0.7876 0.190 Uiso 1 1 calc R U . . .
H35B H 0.8137 0.2426 0.8552 0.190 Uiso 1 1 calc R U . . .
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'
Br Br -0.2901 2.4595 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
C2 C1 C5 121.9(10)
C2 C1 H1 119.0
C5 C1 H1 119.0
C1 C2 C3 119.3(9)
C1 C2 H2C 120.4
C3 C2 H2C 120.4
C4 C3 C2 121.5(9)
C4 C3 H3 119.3
C2 C3 H3 119.3
C3 C4 C6 117.3(8)
C3 C4 H4 121.4
C6 C4 H4 121.4
C1 C5 C6 119.8(9)
C1 C5 H5 120.1
C6 C5 H5 120.1
C5 C6 C4 120.2(7)
C5 C6 N1 121.1(6)
C4 C6 N1 118.7(6)
C12 C7 N1 122.1(5)
C12 C7 C8 117.6(5)
N1 C7 C8 120.3(5)
C9 C8 C7 121.2(6)
C9 C8 H8 119.4
C7 C8 H8 119.4
C8 C9 C10 120.0(5)
C8 C9 H9 120.0
C10 C9 H9 120.0
C11 C10 C9 119.9(5)
C11 C10 C13 113.6(6)
C9 C10 C13 126.5(6)
C11 C10 C13' 140.1(11)
C9 C10 C13' 99.3(10)
C10 C11 C12 120.7(6)
C10 C11 H11 119.7
C12 C11 H11 119.7
C11 C12 C7 120.4(5)
C11 C12 H12 119.8
C7 C12 H12 119.8
C18 C14 C15 118.8(5)
C18 C14 N1 122.0(5)
C15 C14 N1 119.2(5)
C16 C15 C14 119.6(6)
C16 C15 H15 120.2
C14 C15 H15 120.2
C15 C16 C17 121.7(5)
C15 C16 H16 119.1
C17 C16 H16 119.1
C19 C17 C16 117.8(5)
C19 C17 C20 121.8(5)
C16 C17 C20 120.2(5)
C14 C18 C19 121.9(5)
C14 C18 H18 119.0
C19 C18 H18 119.0
C17 C19 C18 120.0(6)
C17 C19 H19 120.0
C18 C19 H19 120.0
C21 C20 C23 118.0(5)
C21 C20 C17 120.5(5)
C23 C20 C17 121.6(5)
C20 C21 C22 120.6(5)
C20 C21 H21 119.7
C22 C21 H21 119.7
N4 C22 C21 120.7(5)
N4 C22 C31 114.0(4)
C21 C22 C31 125.3(5)
C24 C23 C20 119.4(5)
C24 C23 H23 120.3
C20 C23 H23 120.3
N4 C24 C23 121.3(5)
N4 C24 C25 113.5(5)
C23 C24 C25 125.2(5)
N5 C25 C26 121.6(6)
N5 C25 C24 115.9(5)
C26 C25 C24 122.5(6)
C27 C26 C25 118.3(7)
C27 C26 H26 120.8
C25 C26 H26 120.8
C26 C27 C28 119.3(7)
C26 C27 H27 120.4
C28 C27 H27 120.4
C29 C28 C27 118.0(7)
C29 C28 H28 121.0
C27 C28 H28 121.0
N5 C29 C28 123.8(7)
N5 C29 H29 118.1
C28 C29 H29 118.1
C31 C30 C32 118.3(6)
C31 C30 H30 120.8
C32 C30 H30 120.8
N3 C31 C30 121.4(5)
N3 C31 C22 115.9(5)
C30 C31 C22 122.6(5)
C33 C32 C30 119.3(6)
C33 C32 H32 120.3
C30 C32 H32 120.3
C34 C33 C32 118.5(6)
C34 C33 H33 120.7
C32 C33 H33 120.7
N3 C34 C33 124.0(6)
N3 C34 H34 118.0
C33 C34 H34 118.0
C7 N1 C14 120.9(5)
C7 N1 C6 118.9(5)
C14 N1 C6 120.0(5)
N2 C13 C10 115.3(7)
N2 C13 H13 122.3
C10 C13 H13 122.3
C13 N2 O1 119.3(8)
N2 O1 H1B 108.5
N2' C13' C10 138.9(18)
N2' C13' H13' 110.5
C10 C13' H13' 110.5
C13' N2' O1' 119.3(11)
N2' O1' H1'2 131.6
C31 N3 C34 118.4(5)
C31 N3 Zn1 115.2(3)
C34 N3 Zn1 126.5(4)
C24 N4 C22 120.0(5)
C24 N4 Zn1 120.3(4)
C22 N4 Zn1 119.3(3)
C25 N5 C29 119.0(6)
C25 N5 Zn1 115.5(4)
C29 N5 Zn1 125.5(5)
N4 Zn1 N3 74.75(16)
N4 Zn1 N5 74.23(19)
N3 Zn1 N5 148.29(18)
N4 Zn1 Br2 137.43(13)
N3 Zn1 Br2 99.11(12)
N5 Zn1 Br2 99.22(13)
N4 Zn1 Br1 107.54(13)
N3 Zn1 Br1 96.57(13)
N5 Zn1 Br1 98.80(15)
Br2 Zn1 Br1 115.02(4)
Cl1 C35 Cl2 116.4(7)
Cl1 C35 H35A 108.2
Cl2 C35 H35A 108.2
Cl1 C35 H35B 108.2
Cl2 C35 H35B 108.2
H35A C35 H35B 107.3
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Br1 Zn1 2.4344(13)
Br2 Zn1 2.3762(10)
C1 C2 1.351(15)
C1 C5 1.356(11)
C1 H1 0.9300
C2 C3 1.388(15)
C2 H2C 0.9300
C3 C4 1.376(12)
C3 H3 0.9300
C4 C6 1.424(10)
C4 H4 0.9300
C5 C6 1.376(10)
C5 H5 0.9300
C6 N1 1.439(8)
C7 C12 1.385(8)
C7 N1 1.405(8)
C7 C8 1.414(8)
C8 C9 1.346(9)
C8 H8 0.9300
C9 C10 1.382(9)
C9 H9 0.9300
C10 C11 1.367(8)
C10 C13 1.467(8)
C10 C13' 1.535(9)
C11 C12 1.370(9)
C11 H11 0.9300
C12 H12 0.9300
C14 C18 1.368(8)
C14 C15 1.395(8)
C14 N1 1.419(7)
C15 C16 1.379(8)
C15 H15 0.9300
C16 C17 1.401(8)
C16 H16 0.9300
C17 C19 1.388(8)
C17 C20 1.486(7)
C18 C19 1.389(8)
C18 H18 0.9300
C19 H19 0.9300
C20 C21 1.376(8)
C20 C23 1.394(8)
C21 C22 1.378(7)
C21 H21 0.9300
C22 N4 1.348(7)
C22 C31 1.482(7)
C23 C24 1.387(8)
C23 H23 0.9300
C24 N4 1.338(7)
C24 C25 1.484(8)
C25 N5 1.329(8)
C25 C26 1.403(9)
C26 C27 1.390(10)
C26 H26 0.9300
C27 C28 1.397(12)
C27 H27 0.9300
C28 C29 1.355(11)
C28 H28 0.9300
C29 N5 1.340(8)
C29 H29 0.9300
C30 C31 1.400(7)
C30 C32 1.406(8)
C30 H30 0.9300
C31 N3 1.338(7)
C32 C33 1.368(10)
C32 H32 0.9300
C33 C34 1.362(9)
C33 H33 0.9300
C34 N3 1.344(7)
C34 H34 0.9300
C13 N2 1.399(8)
C13 H13 0.9300
N2 O1 1.408(8)
O1 H1B 0.9600
C13' N2' 1.436(10)
C13' H13' 0.9300
N2' O1' 1.481(9)
O1' H1'2 0.9600
N3 Zn1 2.207(5)
N4 Zn1 2.100(4)
N5 Zn1 2.213(5)
Cl1 C35 1.618(16)
Cl2 C35 1.753(13)
C35 H35A 0.9700
C35 H35B 0.9700
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
C5 C1 C2 C3 -0.9(13)
C1 C2 C3 C4 2.3(14)
C2 C3 C4 C6 -1.2(12)
C2 C1 C5 C6 -1.5(12)
C1 C5 C6 C4 2.5(10)
C1 C5 C6 N1 -178.6(6)
C3 C4 C6 C5 -1.2(10)
C3 C4 C6 N1 179.9(6)
C12 C7 C8 C9 4.9(10)
N1 C7 C8 C9 -176.9(6)
C7 C8 C9 C10 -4.0(10)
C8 C9 C10 C11 -0.5(10)
C8 C9 C10 C13 -179.6(8)
C8 C9 C10 C13' 171.4(11)
C9 C10 C11 C12 4.0(10)
C13 C10 C11 C12 -176.8(7)
C13' C10 C11 C12 -163.6(16)
C10 C11 C12 C7 -3.0(9)
N1 C7 C12 C11 -179.6(6)
C8 C7 C12 C11 -1.4(9)
C18 C14 C15 C16 2.4(9)
N1 C14 C15 C16 -176.5(5)
C14 C15 C16 C17 -1.1(9)
C15 C16 C17 C19 -1.1(9)
C15 C16 C17 C20 175.3(6)
C15 C14 C18 C19 -1.6(9)
N1 C14 C18 C19 177.3(6)
C16 C17 C19 C18 1.9(8)
C20 C17 C19 C18 -174.4(5)
C14 C18 C19 C17 -0.6(9)
C19 C17 C20 C21 145.9(6)
C16 C17 C20 C21 -30.3(8)
C19 C17 C20 C23 -33.5(8)
C16 C17 C20 C23 150.3(6)
C23 C20 C21 C22 0.3(8)
C17 C20 C21 C22 -179.1(5)
C20 C21 C22 N4 0.5(8)
C20 C21 C22 C31 -179.2(5)
C21 C20 C23 C24 0.4(8)
C17 C20 C23 C24 179.9(5)
C20 C23 C24 N4 -2.0(9)
C20 C23 C24 C25 179.8(5)
N4 C24 C25 N5 -7.9(7)
C23 C24 C25 N5 170.4(6)
N4 C24 C25 C26 172.5(6)
C23 C24 C25 C26 -9.1(9)
N5 C25 C26 C27 -1.6(10)
C24 C25 C26 C27 177.9(7)
C25 C26 C27 C28 1.6(12)
C26 C27 C28 C29 -0.7(13)
C27 C28 C29 N5 -0.2(13)
C32 C30 C31 N3 -2.7(8)
C32 C30 C31 C22 175.6(5)
N4 C22 C31 N3 3.3(7)
C21 C22 C31 N3 -177.0(5)
N4 C22 C31 C30 -175.1(5)
C21 C22 C31 C30 4.6(8)
C31 C30 C32 C33 0.7(9)
C30 C32 C33 C34 1.6(10)
C32 C33 C34 N3 -2.1(10)
C12 C7 N1 C14 30.1(9)
C8 C7 N1 C14 -148.1(6)
C12 C7 N1 C6 -144.4(6)
C8 C7 N1 C6 37.4(8)
C18 C14 N1 C7 37.9(9)
C15 C14 N1 C7 -143.2(6)
C18 C14 N1 C6 -147.6(6)
C15 C14 N1 C6 31.3(8)
C5 C6 N1 C7 40.7(8)
C4 C6 N1 C7 -140.4(6)
C5 C6 N1 C14 -133.9(6)
C4 C6 N1 C14 45.1(8)
C11 C10 C13 N2 167.3(8)
C9 C10 C13 N2 -13.6(13)
C13' C10 C13 N2 5(2)
C10 C13 N2 O1 -174.5(9)
C11 C10 C13' N2' 159.9(19)
C9 C10 C13' N2' -9(3)
C13 C10 C13' N2' -174(5)
C10 C13' N2' O1' 136(3)
C30 C31 N3 C34 2.2(8)
C22 C31 N3 C34 -176.2(5)
C30 C31 N3 Zn1 -177.7(4)
C22 C31 N3 Zn1 3.9(6)
C33 C34 N3 C31 0.2(9)
C33 C34 N3 Zn1 -179.9(5)
C23 C24 N4 C22 2.9(8)
C25 C24 N4 C22 -178.7(5)
C23 C24 N4 Zn1 -169.9(4)
C25 C24 N4 Zn1 8.5(6)
C21 C22 N4 C24 -2.1(8)
C31 C22 N4 C24 177.7(5)
C21 C22 N4 Zn1 170.7(4)
C31 C22 N4 Zn1 -9.5(6)
C26 C25 N5 C29 0.8(10)
C24 C25 N5 C29 -178.8(6)
C26 C25 N5 Zn1 -176.6(5)
C24 C25 N5 Zn1 3.8(6)
C28 C29 N5 C25 0.1(12)
C28 C29 N5 Zn1 177.2(6)
