#------------------------------------------------------------------------------
#$Date: 2019-11-08 03:08:51 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224983 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/81/7058173.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_7058173
loop_
_publ_author_name
'Li, Xiao-Yan'
'Kang, Quan-Peng'
'Liu, Chang'
'Zhang, Yang'
'Dong, Wen-Kui'
_publ_section_title
;
 Structurally characterized homo-trinuclear ZnII and hetero-pentanuclear
 [ZnII4LnIII] complexes constructed from an octadentate bis(Salamo)-based
 ligand: Hirshfeld surfaces, fluorescence and catalytic properties
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              4605
_journal_paper_doi               10.1039/C9NJ00014C
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety
'C72 H64 Eu N10 O24 Zn4, C2 H2 Cl6, C2 H6 N O4'
_chemical_formula_sum            'C76 H72 Cl6 Eu N11 O28 Zn4'
_chemical_formula_weight         2213.58
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2019-02-05
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-02-11 deposited with the CCDC.    2019-02-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.679(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.8834(9)
_cell_length_b                   23.1409(12)
_cell_length_c                   24.3047(12)
_cell_measurement_reflns_used    9930
_cell_measurement_temperature    153.15
_cell_measurement_theta_max      27.32
_cell_measurement_theta_min      2.50
_cell_volume                     8995.6(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      153.15
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0646
_diffrn_reflns_av_unetI/netI     0.0651
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            40357
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.691
_diffrn_reflns_theta_min         2.020
_exptl_absorpt_coefficient_mu    1.999
_exptl_absorpt_correction_T_max  0.6759
_exptl_absorpt_correction_T_min  0.4811
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_description       block
_exptl_crystal_F_000             4456
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.065
_refine_diff_density_min         -0.635
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     675
_refine_ls_number_reflns         10453
_refine_ls_number_restraints     101
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0837
_refine_ls_R_factor_gt           0.0528
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0571P)²+43.6746P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1213
_refine_ls_wR_factor_ref         0.1342
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7685
_reflns_number_total             10453
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9nj00014c2.cif
_cod_data_source_block           w131_sq
_cod_depositor_comments
'Adding full bibliography for 7058171--7058176.cif.'
_cod_database_code               7058173
_shelx_shelxl_version_number     2018/3
_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_max   0.703
_shelx_estimated_absorpt_t_min   0.625
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 C45-C47
 1.5 with sigma of 0.01
 H30B-H36_$1
 2.2 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C46) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 C31, C32, C33, C34, C35, C36
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C46, Cl8, Cl7, Cl9, C42, Cl4, Cl6, Cl5
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C46, Cl8, Cl9, Cl7
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O19, O14, N6, C45, O18, C47
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Others
 Sof(H29C)=Sof(H29D)=Sof(C30A)=Sof(H30D)=Sof(H30E)=Sof(H30F)=1-FVAR(1)
 Sof(H29A)=Sof(H29B)=Sof(C30)=Sof(H30A)=Sof(H30B)=Sof(H30C)=FVAR(1)
 Fixed Sof: Cl1(0.5) Cl2(0.5) Cl3(0.5) Cl4(0.25) C38(0.5) H38(0.5) H14(0.5)
 Cl6(0.25) Cl5(0.25) C42(0.25) H42(0.25) N6(0.5) O19(0.5) O18(0.5) C45(0.5)
 H45A(0.5) H45B(0.5) Cl8(0.25) Cl7(0.25) Cl9(0.25) C46(0.25) H46(0.25) C47(0.5)
 H47A(0.5) H47B(0.5) H47C(0.5)
6.a Riding coordinates:
 O12(H12), O14(H14), C47(H47A,H47B,H47C)
6.b Ternary CH refined with riding coordinates:
 C38(H38), C42(H42), C46(H46)
6.c Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C7(H7A,H7B), C16(H16A,H16B), C17(H17A,H17B), C29(H29A,H29B),
 C29(H29C,H29D), C45(H45A,H45B)
6.d Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C8(H8), C10(H10), C11(H11), C15(H15), C18(H18),
 C21(H21), C22(H22), C23(H23), C24(H24), C26(H26), C27(H27), C33(H33), C34(H34),
  C35(H35), C36(H36)
6.e Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C30A(H30D,H30E,H30F)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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
C1 C 0.3769(3) 0.7233(2) 0.1560(2) 0.0290(11) Uani 1 1 d . . . . .
C2 C 0.3467(3) 0.6895(2) 0.1054(2) 0.0364(12) Uani 1 1 d . . . . .
H2 H 0.328990 0.651011 0.108197 0.044 Uiso 1 1 calc R . . . .
C3 C 0.3425(4) 0.7112(3) 0.0526(3) 0.0503(16) Uani 1 1 d . . . . .
H3 H 0.322180 0.687292 0.019275 0.060 Uiso 1 1 calc R . . . .
C4 C 0.3926(4) 0.7825(2) 0.1515(3) 0.0385(13) Uani 1 1 d . . . . .
C5 C 0.4072(4) 0.8214(2) 0.1995(3) 0.0448(15) Uani 1 1 d . . . . .
H5 H 0.425728 0.859302 0.194776 0.054 Uiso 1 1 calc R . . . .
C6 C 0.3534(5) 0.8868(2) 0.2960(3) 0.0583(19) Uani 1 1 d . . . . .
H6A H 0.323015 0.906368 0.259008 0.070 Uiso 1 1 calc R . . . .
H6B H 0.374745 0.917120 0.325797 0.070 Uiso 1 1 calc R . . . .
C7 C 0.2935(4) 0.8499(2) 0.3134(3) 0.0415(14) Uani 1 1 d . . . . .
H7A H 0.247412 0.874491 0.316982 0.050 Uiso 1 1 calc R . . . .
H7B H 0.269097 0.821311 0.282334 0.050 Uiso 1 1 calc R . . . .
C8 C 0.3995(3) 0.7416(2) 0.4070(2) 0.0363(13) Uani 1 1 d . . . . .
H8 H 0.395320 0.760703 0.440525 0.044 Uiso 1 1 calc R . . . .
C9 C 0.4425(3) 0.6862(2) 0.4163(2) 0.0331(12) Uani 1 1 d . . . . .
C10 C 0.4645(4) 0.6629(3) 0.4728(2) 0.0405(13) Uani 1 1 d . . . . .
H10 H 0.449335 0.682825 0.502064 0.049 Uiso 1 1 calc R . . . .
C11 C 0.5074(4) 0.6121(3) 0.4859(2) 0.0392(13) Uani 1 1 d . . . . .
H11 H 0.521187 0.597019 0.524145 0.047 Uiso 1 1 calc R . . . .
C12 C 0.5318(3) 0.5812(2) 0.4433(2) 0.0319(11) Uani 1 1 d . . . . .
C13 C 0.5118(3) 0.6043(2) 0.3875(2) 0.0255(10) Uani 1 1 d . . . . .
C14 C 0.4648(3) 0.6560(2) 0.3734(2) 0.0280(11) Uani 1 1 d . . . . .
C15 C 0.5752(4) 0.5272(2) 0.4613(2) 0.0369(13) Uani 1 1 d . . . . .
H15 H 0.580531 0.513831 0.499262 0.044 Uiso 1 1 calc R . . . .
C16 C 0.6771(4) 0.4088(3) 0.4285(3) 0.0494(16) Uani 1 1 d . . . . .
H16A H 0.719094 0.383497 0.455529 0.059 Uiso 1 1 calc R . . . .
H16B H 0.706788 0.433142 0.407919 0.059 Uiso 1 1 calc R . . . .
C17 C 0.6153(4) 0.3713(3) 0.3845(3) 0.0509(16) Uani 1 1 d . . . . .
H17A H 0.646557 0.345192 0.366624 0.061 Uiso 1 1 calc R . . . .
H17B H 0.585428 0.346992 0.404973 0.061 Uiso 1 1 calc R . . . .
C18 C 0.5969(4) 0.4269(2) 0.2628(2) 0.0361(13) Uani 1 1 d . . . . .
H18 H 0.578784 0.388694 0.250945 0.043 Uiso 1 1 calc R . . . .
C19 C 0.6270(3) 0.4614(2) 0.2241(2) 0.0287(11) Uani 1 1 d . . . . .
C20 C 0.6537(4) 0.4330(2) 0.1805(2) 0.0386(13) Uani 1 1 d . . . . .
C21 C 0.6476(5) 0.3720(3) 0.1713(3) 0.0596(19) Uani 1 1 d . . . . .
H21 H 0.622929 0.348591 0.193512 0.072 Uiso 1 1 calc R . . . .
C22 C 0.6771(6) 0.3472(4) 0.1306(4) 0.083(3) Uani 1 1 d . . . . .
H22 H 0.673324 0.306500 0.125386 0.100 Uiso 1 1 calc R . . . .
C23 C 0.7119(5) 0.3797(4) 0.0971(3) 0.074(2) Uani 1 1 d . . . . .
H23 H 0.731950 0.361153 0.069302 0.088 Uiso 1 1 calc R . . . .
C24 C 0.7181(4) 0.4385(3) 0.1032(3) 0.0545(18) Uani 1 1 d . . . . .
H24 H 0.742118 0.460696 0.079661 0.065 Uiso 1 1 calc R . . . .
C25 C 0.6885(3) 0.4659(3) 0.1447(2) 0.0386(13) Uani 1 1 d . . . . .
C26 C 0.6933(3) 0.5265(2) 0.1517(2) 0.0382(13) Uani 1 1 d . . . . .
H26 H 0.715727 0.548972 0.127488 0.046 Uiso 1 1 calc R . . . .
C27 C 0.6668(3) 0.5533(2) 0.1922(2) 0.0331(12) Uani 1 1 d . . . . .
H27 H 0.671284 0.594190 0.195800 0.040 Uiso 1 1 calc R . . . .
C28 C 0.6325(3) 0.5221(2) 0.2293(2) 0.0242(10) Uani 1 1 d . . . . .
C29 C 0.2059(5) 0.6689(4) 0.2065(4) 0.073(2) Uani 1 1 d . . . . .
H29A H 0.249033 0.650149 0.192916 0.087 Uiso 0.488(17) 1 calc R . . A 1
H29B H 0.179323 0.638362 0.223084 0.087 Uiso 0.488(17) 1 calc R . . A 1
H29C H 0.187323 0.691125 0.169774 0.087 Uiso 0.512(17) 1 calc R . . A 2
H29D H 0.249332 0.641604 0.203160 0.087 Uiso 0.512(17) 1 calc R . . A 2
C30 C 0.1505(12) 0.6909(8) 0.1627(8) 0.095(8) Uani 0.488(17) 1 d . . . A 1
H30A H 0.118266 0.719784 0.175971 0.142 Uiso 0.488(17) 1 calc GR . . A 1
H30B H 0.112963 0.660408 0.141215 0.142 Uiso 0.488(17) 1 calc DGR . . A 1
H30C H 0.177816 0.709396 0.137239 0.142 Uiso 0.488(17) 1 calc GR . . A 1
Eu1 Eu 0.500000 0.62560(2) 0.250000 0.01981(10) Uani 1 2 d S T P B .
N1 N 0.3974(3) 0.80940(18) 0.2481(2) 0.0389(11) Uani 1 1 d . . . . .
N2 N 0.3668(3) 0.76710(19) 0.3585(2) 0.0338(10) Uani 1 1 d . . . . .
N3 N 0.6069(3) 0.49578(19) 0.43056(18) 0.0360(10) Uani 1 1 d . . . . .
N4 N 0.5929(3) 0.44417(18) 0.31202(18) 0.0356(10) Uani 1 1 d . . . . .
N5 N 0.7930(3) 0.5291(2) 0.3752(2) 0.0510(14) Uani 1 1 d . . . . .
O1 O 0.3907(2) 0.69725(13) 0.20730(14) 0.0271(7) Uani 1 1 d . . . . .
O2 O 0.4244(3) 0.85598(16) 0.2884(2) 0.0529(12) Uani 1 1 d . . . . .
O3 O 0.3301(3) 0.81993(16) 0.36688(17) 0.0434(10) Uani 1 1 d . . . . .
O4 O 0.4449(2) 0.67332(14) 0.31797(13) 0.0247(7) Uani 1 1 d . . . . .
O5 O 0.5354(2) 0.58130(14) 0.34486(13) 0.0254(7) Uani 1 1 d . . . . .
O6 O 0.6424(3) 0.44560(17) 0.46181(16) 0.0480(11) Uani 1 1 d . . . . .
O7 O 0.5547(3) 0.40247(17) 0.33919(17) 0.0466(10) Uani 1 1 d . . . . .
O8 O 0.6058(2) 0.55184(14) 0.26671(14) 0.0265(7) Uani 1 1 d . . . . .
O9 O 0.7745(3) 0.48616(19) 0.3438(2) 0.0614(13) Uani 1 1 d . . . . .
O10 O 0.8659(3) 0.5466(3) 0.3923(3) 0.097(2) Uani 1 1 d . . . . .
O11 O 0.7375(2) 0.55514(18) 0.38899(18) 0.0455(10) Uani 1 1 d . . . . .
O12 O 0.2468(2) 0.70928(18) 0.25207(18) 0.0463(10) Uani 1 1 d . . . . .
H12 H 0.211736 0.721803 0.267020 0.069 Uiso 1 1 d R . . B .
Zn1 Zn 0.36715(4) 0.73409(2) 0.27729(2) 0.02713(14) Uani 1 1 d . . . B 2
Zn2 Zn 0.62183(4) 0.52217(2) 0.34985(2) 0.02798(15) Uani 1 1 d . . . C 2
C31 C 0.3914(4) 0.8048(3) 0.0954(3) 0.0534(17) Uani 1 1 d . U . . .
C32 C 0.3673(4) 0.7680(3) 0.0459(3) 0.0565(17) Uani 1 1 d . U . . .
C33 C 0.3677(6) 0.7888(4) -0.0087(4) 0.088(3) Uani 1 1 d . U . . .
H33 H 0.350910 0.764074 -0.041602 0.105 Uiso 1 1 calc R . . . .
C34 C 0.4146(6) 0.8608(3) 0.0864(4) 0.089(3) Uani 1 1 d . U . . .
H34 H 0.429968 0.886839 0.118297 0.107 Uiso 1 1 calc R . . . .
C35 C 0.4161(9) 0.8797(4) 0.0335(5) 0.126(4) Uani 1 1 d . U . . .
H35 H 0.433998 0.917980 0.029445 0.152 Uiso 1 1 calc R . . . .
C36 C 0.3915(8) 0.8433(5) -0.0145(5) 0.125(4) Uani 1 1 d . U . . .
H36 H 0.391633 0.856820 -0.051367 0.150 Uiso 1 1 calc DR . . . .
Cl1 Cl 0.2281(3) 0.7520(2) 0.47675(18) 0.0861(13) Uani 0.5 1 d . . . D 1
Cl2 Cl 0.2228(4) 0.6515(3) 0.4091(3) 0.115(2) Uani 0.5 1 d . . . D 1
Cl3 Cl 0.0793(5) 0.6869(5) 0.4438(5) 0.189(5) Uani 0.5 1 d . . . D 1
Cl4 Cl 0.0737(10) 0.6496(5) 0.4666(7) 0.107(4) Uani 0.25 1 d . U . E 2
C38 C 0.1606(13) 0.7085(9) 0.4234(8) 0.095(6) Uani 0.5 1 d . . . D 1
H38 H 0.138397 0.732082 0.387196 0.114 Uiso 0.5 1 calc R . . D 1
O14 O 0.1416(3) 0.7518(3) 0.3016(3) 0.092(2) Uani 1 1 d . U . . .
H14 H 0.098638 0.771381 0.285033 0.138 Uiso 0.5 1 d R . . F 2
Cl6 Cl 0.0837(8) 0.5458(4) 0.4111(5) 0.108(4) Uani 0.25 1 d . U . E 2
Cl5 Cl 0.0810(6) 0.5431(5) 0.5238(4) 0.099(3) Uani 0.25 1 d . U . E 2
C42 C 0.0540(19) 0.5749(13) 0.4615(12) 0.062(7) Uani 0.25 1 d . U . E 2
H42 H -0.008341 0.571765 0.446949 0.074 Uiso 0.25 1 calc R . . E 2
C30A C 0.1398(12) 0.6366(8) 0.2085(9) 0.100(8) Uani 0.512(17) 1 d . . . A 2
H30D H 0.092235 0.662024 0.205844 0.150 Uiso 0.512(17) 1 calc GR . . A 2
H30E H 0.154907 0.615187 0.245202 0.150 Uiso 0.512(17) 1 calc GR . . A 2
H30F H 0.124382 0.609344 0.175952 0.150 Uiso 0.512(17) 1 calc GR . . A 2
N6 N 0.0654(8) 0.7641(6) 0.2726(7) 0.074(3) Uani 0.5 1 d . U . G 1
O19 O 0.0154(8) 0.7590(7) 0.3018(8) 0.115(4) Uani 0.5 1 d . U . G 1
O18 O 0.0348(11) 0.7761(8) 0.2264(8) 0.134(5) Uani 0.5 1 d . U . G 1
C45 C 0.1260(18) 0.7101(15) 0.3460(13) 0.178(12) Uani 0.5 1 d D U . G 2
H45A H 0.105987 0.732372 0.373801 0.213 Uiso 0.5 1 calc R . . G 2
H45B H 0.081433 0.682562 0.325633 0.213 Uiso 0.5 1 calc R . . G 2
Cl8 Cl 0.0912(8) 0.5147(5) 0.2674(5) 0.088(3) Uani 0.25 1 d . U . H -1
Cl7 Cl -0.0029(5) 0.6085(3) 0.2068(5) 0.080(3) Uani 0.25 1 d . U . H -1
Cl9 Cl -0.0733(7) 0.4949(5) 0.2031(8) 0.119(5) Uani 0.25 1 d . U . H -1
C46 C 0.016(2) 0.5275(12) 0.2153(14) 0.071(8) Uani 0.25 1 d . U . H -1
H46 H 0.033722 0.516568 0.181340 0.085 Uiso 0.25 1 calc R . . H -1
C47 C 0.202(2) 0.6775(19) 0.379(2) 0.27(3) Uani 0.5 1 d D U . G 2
H47A H 0.221889 0.662499 0.347773 0.405 Uiso 0.5 1 d R . . G 2
H47B H 0.182269 0.645329 0.397173 0.405 Uiso 0.5 1 d R . . G 2
H47C H 0.247129 0.697819 0.407513 0.405 Uiso 0.5 1 d R . . G 2
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 '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
C4 C1 C2 119.8(5) . .
O1 C1 C2 118.1(4) . .
O1 C1 C4 122.1(5) . .
C1 C2 H2 119.5 . .
C3 C2 C1 121.0(6) . .
C3 C2 H2 119.5 . .
C2 C3 H3 119.1 . .
C2 C3 C32 121.9(6) . .
C32 C3 H3 119.1 . .
C1 C4 C5 122.4(5) . .
C1 C4 C31 118.3(5) . .
C5 C4 C31 119.2(5) . .
C4 C5 H5 117.3 . .
N1 C5 C4 125.3(5) . .
N1 C5 H5 117.3 . .
H6A C6 H6B 107.6 . .
C7 C6 H6A 108.6 . .
C7 C6 H6B 108.6 . .
O2 C6 H6A 108.6 . .
O2 C6 H6B 108.6 . .
O2 C6 C7 114.7(5) . .
C6 C7 H7A 108.8 . .
C6 C7 H7B 108.8 . .
H7A C7 H7B 107.7 . .
O3 C7 C6 113.8(6) . .
O3 C7 H7A 108.8 . .
O3 C7 H7B 108.8 . .
C9 C8 H8 116.6 . .
N2 C8 H8 116.6 . .
N2 C8 C9 126.8(5) . .
C10 C9 C8 116.8(5) . .
C14 C9 C8 124.3(5) . .
C14 C9 C10 118.9(5) . .
C9 C10 H10 119.6 . .
C11 C10 C9 120.8(5) . .
C11 C10 H10 119.6 . .
C10 C11 H11 119.4 . .
C10 C11 C12 121.3(5) . .
C12 C11 H11 119.4 . .
C11 C12 C15 116.9(5) . .
C13 C12 C11 118.6(5) . .
C13 C12 C15 124.5(5) . .
C12 C13 C14 120.0(4) . .
O5 C13 C12 124.3(4) . .
O5 C13 C14 115.7(4) . .
C9 C14 C13 120.3(4) . .
O4 C14 C9 123.8(5) . .
O4 C14 C13 115.8(4) . .
C12 C15 H15 117.1 . .
N3 C15 C12 125.7(5) . .
N3 C15 H15 117.1 . .
H16A C16 H16B 107.4 . .
C17 C16 H16A 108.4 . .
C17 C16 H16B 108.4 . .
O6 C16 H16A 108.4 . .
O6 C16 H16B 108.4 . .
O6 C16 C17 115.6(6) . .
C16 C17 H17A 108.6 . .
C16 C17 H17B 108.6 . .
H17A C17 H17B 107.6 . .
O7 C17 C16 114.6(5) . .
O7 C17 H17A 108.6 . .
O7 C17 H17B 108.6 . .
C19 C18 H18 117.6 . .
N4 C18 H18 117.6 . .
N4 C18 C19 124.8(5) . .
C20 C19 C18 119.1(5) . .
C28 C19 C18 121.2(4) . .
C28 C19 C20 119.7(5) . .
C21 C20 C19 123.0(6) . .
C25 C20 C19 119.7(5) . .
C25 C20 C21 117.3(5) . .
C20 C21 H21 119.9 . .
C22 C21 C20 120.2(7) . .
C22 C21 H21 119.9 . .
C21 C22 H22 119.2 . .
C21 C22 C23 121.6(7) . .
C23 C22 H22 119.2 . .
C22 C23 H23 119.5 . .
C24 C23 C22 120.9(6) . .
C24 C23 H23 119.5 . .
C23 C24 H24 120.3 . .
C23 C24 C25 119.4(7) . .
C25 C24 H24 120.3 . .
C24 C25 C20 120.5(6) . .
C26 C25 C20 118.7(5) . .
C26 C25 C24 120.8(6) . .
C25 C26 H26 119.3 . .
C27 C26 C25 121.5(5) . .
C27 C26 H26 119.3 . .
C26 C27 H27 119.1 . .
C26 C27 C28 121.7(5) . .
C28 C27 H27 119.1 . .
C19 C28 C27 118.7(4) . .
O8 C28 C19 123.4(4) . .
O8 C28 C27 117.9(4) . .
H29A C29 H29B 107.5 . .
H29C C29 H29D 106.7 . .
C30 C29 H29A 108.5 . .
C30 C29 H29B 108.5 . .
C30 C29 O12 115.1(11) . .
O12 C29 H29A 108.5 . .
O12 C29 H29B 108.5 . .
O12 C29 H29C 106.9 . .
O12 C29 H29D 106.9 . .
C30A C29 H29C 106.9 . .
C30A C29 H29D 106.9 . .
C30A C29 O12 121.7(11) . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30B 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
O1 Eu1 O1 94.84(16) 2_655 .
O1 Eu1 Zn1 33.86(7) 2_655 2_655
O1 Eu1 Zn1 83.00(8) . 2_655
O1 Eu1 Zn1 83.00(8) 2_655 .
O1 Eu1 Zn1 33.86(7) . .
O1 Eu1 Zn2 159.51(7) . .
O1 Eu1 Zn2 88.50(8) 2_655 .
O1 Eu1 Zn2 159.51(7) 2_655 2_655
O1 Eu1 Zn2 88.50(8) . 2_655
O4 Eu1 O1 64.93(11) 2_655 2_655
O4 Eu1 O1 78.64(11) 2_655 .
O4 Eu1 O1 78.64(11) . 2_655
O4 Eu1 O1 64.93(11) . .
O4 Eu1 O4 125.40(15) 2_655 .
O4 Eu1 O5 64.64(11) 2_655 2_655
O4 Eu1 O5 144.82(11) . 2_655
O4 Eu1 O5 144.82(11) 2_655 .
O4 Eu1 O5 64.64(11) . .
O4 Eu1 O8 90.70(11) 2_655 .
O4 Eu1 O8 90.70(11) . 2_655
O4 Eu1 O8 129.62(11) . .
O4 Eu1 O8 129.62(11) 2_655 2_655
O4 Eu1 Zn1 31.31(8) . .
O4 Eu1 Zn1 31.31(8) 2_655 2_655
O4 Eu1 Zn1 102.05(8) . 2_655
O4 Eu1 Zn1 102.06(8) 2_655 .
O4 Eu1 Zn2 96.12(8) 2_655 2_655
O4 Eu1 Zn2 96.12(8) . .
O4 Eu1 Zn2 120.71(8) . 2_655
O4 Eu1 Zn2 120.71(8) 2_655 .
O5 Eu1 O1 87.74(11) 2_655 .
O5 Eu1 O1 127.84(10) . .
O5 Eu1 O1 127.84(10) 2_655 2_655
O5 Eu1 O1 87.74(11) . 2_655
O5 Eu1 O5 129.80(15) . 2_655
O5 Eu1 Zn1 119.87(8) 2_655 .
O5 Eu1 Zn1 95.68(7) 2_655 2_655
O5 Eu1 Zn1 95.68(7) . .
O5 Eu1 Zn1 119.87(8) . 2_655
O5 Eu1 Zn2 31.95(7) . .
O5 Eu1 Zn2 106.12(8) . 2_655
O5 Eu1 Zn2 106.12(8) 2_655 .
O5 Eu1 Zn2 31.95(7) 2_655 2_655
O8 Eu1 O1 165.44(10) 2_655 2_655
O8 Eu1 O1 89.49(11) . 2_655
O8 Eu1 O1 89.48(11) 2_655 .
O8 Eu1 O1 165.44(10) . .
O8 Eu1 O5 66.13(10) . .
O8 Eu1 O5 78.67(11) 2_655 .
O8 Eu1 O5 66.13(10) 2_655 2_655
O8 Eu1 O5 78.67(11) . 2_655
O8 Eu1 O8 89.76(16) 2_655 .
O8 Eu1 Zn1 93.08(8) 2_655 .
O8 Eu1 Zn1 93.08(8) . 2_655
O8 Eu1 Zn1 160.66(7) . .
O8 Eu1 Zn1 160.66(7) 2_655 2_655
O8 Eu1 Zn2 82.74(8) . 2_655
O8 Eu1 Zn2 34.18(7) . .
O8 Eu1 Zn2 34.18(7) 2_655 2_655
O8 Eu1 Zn2 82.74(8) 2_655 .
Zn1 Eu1 Zn1 90.548(19) 2_655 .
Zn2 Eu1 Zn1 109.863(14) 2_655 .
Zn2 Eu1 Zn1 127.396(13) . .
Zn2 Eu1 Zn2 95.42(2) 2_655 .
C5 N1 O2 111.3(4) . .
C5 N1 Zn1 129.8(4) . .
O2 N1 Zn1 118.2(3) . .
C8 N2 O3 110.4(4) . .
C8 N2 Zn1 124.4(3) . .
O3 N2 Zn1 125.3(3) . .
C15 N3 O6 109.8(4) . .
C15 N3 Zn2 124.5(4) . .
O6 N3 Zn2 124.9(3) . .
C18 N4 O7 112.7(4) . .
C18 N4 Zn2 128.8(4) . .
O7 N4 Zn2 118.2(3) . .
O9 N5 O10 120.1(6) . .
O9 N5 O11 119.5(5) . .
O10 N5 O11 120.4(5) . .
C1 O1 Eu1 125.6(3) . .
C1 O1 Zn1 124.3(3) . .
Zn1 O1 Eu1 104.45(13) . .
N1 O2 C6 111.2(5) . .
N2 O3 C7 111.8(4) . .
C14 O4 Eu1 121.6(3) . .
C14 O4 Zn1 129.2(3) . .
Zn1 O4 Eu1 109.04(13) . .
C13 O5 Eu1 121.9(3) . .
C13 O5 Zn2 128.8(3) . .
Zn2 O5 Eu1 107.71(13) . .
N3 O6 C16 111.5(4) . .
N4 O7 C17 112.2(4) . .
C28 O8 Eu1 130.3(3) . .
C28 O8 Zn2 121.9(3) . .
Zn2 O8 Eu1 104.96(13) . .
N5 O11 Zn2 112.7(3) . .
C29 O12 H12 108.9 . .
C29 O12 Zn1 127.4(4) . .
Zn1 O12 H12 123.7 . .
N1 Zn1 N2 95.38(18) . .
N1 Zn1 O1 85.89(15) . .
O1 Zn1 N2 168.88(16) . .
O4 Zn1 N1 126.51(17) . .
O4 Zn1 N2 89.42(15) . .
O4 Zn1 O1 81.02(13) . .
O4 Zn1 O12 113.41(16) . .
O12 Zn1 N1 119.15(19) . .
O12 Zn1 N2 94.77(16) . .
O12 Zn1 O1 94.23(15) . .
N4 Zn2 N3 94.58(17) . .
N4 Zn2 O8 85.11(15) . .
N4 Zn2 O11 127.47(18) . .
O5 Zn2 N3 87.29(15) . .
O5 Zn2 N4 121.73(17) . .
O5 Zn2 O8 81.20(12) . .
O5 Zn2 O11 110.48(15) . .
O8 Zn2 N3 166.19(16) . .
O11 Zn2 N3 93.17(18) . .
O11 Zn2 O8 97.98(16) . .
C32 C31 C4 119.6(5) . .
C34 C31 C4 124.0(7) . .
C34 C31 C32 116.4(6) . .
C3 C32 C31 118.6(5) . .
C3 C32 C33 121.3(8) . .
C33 C32 C31 120.1(7) . .
C32 C33 H33 119.7 . .
C36 C33 C32 120.7(10) . .
C36 C33 H33 119.7 . .
C31 C34 H34 118.8 . .
C35 C34 C31 122.5(10) . .
C35 C34 H34 118.8 . .
C34 C35 H35 119.9 . .
C34 C35 C36 120.2(9) . .
C36 C35 H35 119.9 . .
C33 C36 C35 120.0(8) . .
C33 C36 H36 120.0 . .
C35 C36 H36 120.0 . .
Cl1 Cl1 C38 138.8(9) 7_566 .
Cl1 C38 Cl2 106.6(11) . .
Cl1 C38 H38 108.1 . .
Cl2 C38 H38 108.1 . .
Cl3 C38 Cl1 110.6(9) . .
Cl3 C38 Cl2 115.1(13) . .
Cl3 C38 H38 108.1 . .
C45 O14 H14 111.1 . .
Cl4 C42 H42 104.4 . .
Cl6 C42 Cl4 111.5(15) . .
Cl6 C42 H42 104.4 . .
Cl5 C42 Cl4 113.1(17) . .
Cl5 C42 Cl6 117(2) . .
Cl5 C42 H42 104.4 . .
C29 C30A H30D 109.5 . .
C29 C30A H30E 109.5 . .
C29 C30A H30F 109.5 . .
H30D C30A H30E 109.5 . .
H30D C30A H30F 109.5 . .
H30E C30A H30F 109.5 . .
O14 N6 O18 147.6(16) . 2
O19 N6 O14 113.6(17) . .
O19 N6 O18 34.6(9) . 2
O18 N6 O14 132.0(18) . .
O18 N6 O19 114.3(16) . .
O18 N6 O18 80.3(16) . 2
O18 O19 N6 99(2) 2 .
N6 O18 N6 95.0(14) . 2
O19 O18 N6 46.9(14) 2 2
O19 O18 N6 128(2) 2 .
O14 C45 H45A 109.1 . .
O14 C45 H45B 109.1 . .
H45A C45 H45B 107.8 . .
C47 C45 O14 113(2) . .
C47 C45 H45A 109.1 . .
C47 C45 H45B 109.1 . .
Cl8 C46 Cl7 110.4(17) . .
Cl8 C46 Cl9 123(2) . .
Cl8 C46 H46 104.0 . .
Cl7 C46 H46 104.0 . .
Cl9 C46 Cl7 109.2(17) . .
Cl9 C46 H46 104.0 . .
C45 C47 H47A 103.1 . .
C45 C47 H47B 106.0 . .
C45 C47 H47C 118.9 . .
H47A C47 H47B 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.408(7) .
C1 C4 1.405(7) .
C1 O1 1.337(6) .
C2 H2 0.9500 .
C2 C3 1.358(7) .
C3 H3 0.9500 .
C3 C32 1.403(10) .
C4 C5 1.433(8) .
C4 C31 1.453(8) .
C5 H5 0.9500 .
C5 N1 1.273(7) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C6 C7 1.485(8) .
C6 O2 1.455(7) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C7 O3 1.428(7) .
C8 H8 0.9500 .
C8 C9 1.455(7) .
C8 N2 1.274(7) .
C9 C10 1.410(7) .
C9 C14 1.401(7) .
C10 H10 0.9500 .
C10 C11 1.364(8) .
C11 H11 0.9500 .
C11 C12 1.422(7) .
C12 C13 1.395(7) .
C12 C15 1.445(7) .
C13 C14 1.415(7) .
C13 O5 1.334(5) .
C14 O4 1.343(6) .
C15 H15 0.9500 .
C15 N3 1.277(7) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C16 C17 1.507(9) .
C16 O6 1.422(7) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C17 O7 1.434(7) .
C18 H18 0.9500 .
C18 C19 1.444(7) .
C18 N4 1.284(7) .
C19 C20 1.436(7) .
C19 C28 1.410(6) .
C20 C21 1.426(8) .
C20 C25 1.418(8) .
C21 H21 0.9500 .
C21 C22 1.369(10) .
C22 H22 0.9500 .
C22 C23 1.371(12) .
C23 H23 0.9500 .
C23 C24 1.370(10) .
C24 H24 0.9500 .
C24 C25 1.413(8) .
C25 C26 1.411(8) .
C26 H26 0.9500 .
C26 C27 1.356(7) .
C27 H27 0.9500 .
C27 C28 1.417(7) .
C28 O8 1.329(5) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C29 H29C 0.9900 .
C29 H29D 0.9900 .
C29 C30 1.277(16) .
C29 O12 1.445(8) .
C29 C30A 1.358(18) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
Eu1 O1 2.450(3) 2_655
Eu1 O1 2.450(3) .
Eu1 O4 2.408(3) .
Eu1 O4 2.408(3) 2_655
Eu1 O5 2.417(3) .
Eu1 O5 2.417(3) 2_655
Eu1 O8 2.409(3) .
Eu1 O8 2.409(3) 2_655
N1 O2 1.430(6) .
N1 Zn1 2.009(4) .
N2 O3 1.415(5) .
N2 Zn1 2.119(4) .
N3 O6 1.412(5) .
N3 Zn2 2.145(4) .
N4 O7 1.433(5) .
N4 Zn2 2.014(4) .
N5 O9 1.232(6) .
N5 O10 1.234(7) .
N5 O11 1.247(6) .
O1 Zn1 2.052(3) .
O4 Zn1 1.961(3) .
O5 Zn2 1.976(3) .
O8 Zn2 2.068(3) .
O11 Zn2 2.027(4) .
O12 H12 0.8398 .
O12 Zn1 2.008(4) .
C31 C32 1.424(10) .
C31 C34 1.389(9) .
C32 C33 1.413(9) .
C33 H33 0.9500 .
C33 C36 1.344(14) .
C34 H34 0.9500 .
C34 C35 1.368(12) .
C35 H35 0.9500 .
C35 C36 1.391(16) .
C36 H36 0.9500 .
Cl1 Cl1 1.139(9) 7_566
Cl1 C38 1.75(2) .
Cl2 C38 1.787(18) .
Cl3 C38 1.68(2) .
Cl4 C42 1.76(3) .
C38 H38 1.0000 .
O14 H14 0.8402 .
O14 N6 1.285(15) .
O14 C45 1.53(3) .
Cl6 C42 1.61(3) .
Cl5 C42 1.61(3) .
C42 H42 1.0000 .
C30A H30D 0.9800 .
C30A H30E 0.9800 .
C30A H30F 0.9800 .
N6 O19 1.270(18) .
N6 O18 1.720(19) 2
N6 O18 1.111(19) .
O19 O18 0.987(17) 2
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C45 C47 1.476(10) .
Cl8 C46 1.51(3) .
Cl7 C46 1.90(3) .
Cl9 C46 1.62(3) .
C46 H46 1.0000 .
C47 H47A 0.9801 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
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
C1 C2 C3 C32 -0.5(9) . .
C1 C4 C5 N1 -9.4(9) . .
C1 C4 C31 C32 5.7(9) . .
C1 C4 C31 C34 -172.8(7) . .
C2 C1 C4 C5 167.3(5) . .
C2 C1 C4 C31 -10.9(8) . .
C2 C1 O1 Eu1 68.2(5) . .
C2 C1 O1 Zn1 -142.4(4) . .
C2 C3 C32 C31 -4.8(10) . .
C2 C3 C32 C33 175.8(6) . .
C3 C32 C33 C36 180.0(9) . .
C4 C1 C2 C3 8.6(8) . .
C4 C1 O1 Eu1 -111.1(4) . .
C4 C1 O1 Zn1 38.4(6) . .
C4 C5 N1 O2 174.8(5) . .
C4 C5 N1 Zn1 4.5(9) . .
C4 C31 C32 C3 2.1(9) . .
C4 C31 C32 C33 -178.6(6) . .
C4 C31 C34 C35 177.2(9) . .
C5 C4 C31 C32 -172.6(6) . .
C5 C4 C31 C34 8.9(10) . .
C5 N1 O2 C6 105.6(6) . .
C6 C7 O3 N2 -85.6(5) . .
C7 C6 O2 N1 55.1(8) . .
C8 C9 C10 C11 -177.9(5) . .
C8 C9 C14 C13 175.5(5) . .
C8 C9 C14 O4 -3.7(8) . .
C8 N2 O3 C7 179.4(5) . .
C9 C8 N2 O3 179.6(5) . .
C9 C8 N2 Zn1 0.0(8) . .
C9 C10 C11 C12 0.5(9) . .
C9 C14 O4 Eu1 172.2(4) . .
C9 C14 O4 Zn1 -11.5(7) . .
C10 C9 C14 C13 -2.8(8) . .
C10 C9 C14 O4 178.0(5) . .
C10 C11 C12 C13 0.7(8) . .
C10 C11 C12 C15 -178.5(5) . .
C11 C12 C13 C14 -2.9(7) . .
C11 C12 C13 O5 176.0(5) . .
C11 C12 C15 N3 -174.7(6) . .
C12 C13 C14 C9 4.0(7) . .
C12 C13 C14 O4 -176.7(4) . .
C12 C13 O5 Eu1 -178.7(4) . .
C12 C13 O5 Zn2 -15.1(7) . .
C12 C15 N3 O6 -178.6(5) . .
C12 C15 N3 Zn2 10.7(8) . .
C13 C12 C15 N3 6.1(9) . .
C13 C14 O4 Eu1 -7.0(6) . .
C13 C14 O4 Zn1 169.3(3) . .
C14 C9 C10 C11 0.6(8) . .
C14 C13 O5 Eu1 0.3(5) . .
C14 C13 O5 Zn2 163.9(3) . .
C15 C12 C13 C14 176.2(5) . .
C15 C12 C13 O5 -4.8(8) . .
C15 N3 O6 C16 178.8(5) . .
C16 C17 O7 N4 51.1(7) . .
C17 C16 O6 N3 -80.1(6) . .
C18 C19 C20 C21 3.7(8) . .
C18 C19 C20 C25 -175.9(5) . .
C18 C19 C28 C27 176.6(5) . .
C18 C19 C28 O8 -4.6(8) . .
C18 N4 O7 C17 101.9(5) . .
C19 C18 N4 O7 175.7(5) . .
C19 C18 N4 Zn2 2.1(8) . .
C19 C20 C21 C22 -177.5(7) . .
C19 C20 C25 C24 177.5(5) . .
C19 C20 C25 C26 -2.1(8) . .
C19 C28 O8 Eu1 -119.2(4) . .
C19 C28 O8 Zn2 39.0(6) . .
C20 C19 C28 C27 -1.9(7) . .
C20 C19 C28 O8 177.0(5) . .
C20 C21 C22 C23 -1.0(13) . .
C20 C25 C26 C27 1.0(8) . .
C21 C20 C25 C24 -2.0(8) . .
C21 C20 C25 C26 178.3(6) . .
C21 C22 C23 C24 -0.2(14) . .
C22 C23 C24 C25 0.3(12) . .
C23 C24 C25 C20 0.9(9) . .
C23 C24 C25 C26 -179.4(6) . .
C24 C25 C26 C27 -178.6(5) . .
C25 C20 C21 C22 2.1(10) . .
C25 C26 C27 C28 -0.3(9) . .
C26 C27 C28 C19 0.8(8) . .
C26 C27 C28 O8 -178.2(5) . .
C27 C28 O8 Eu1 59.7(6) . .
C27 C28 O8 Zn2 -142.1(4) . .
C28 C19 C20 C21 -177.8(6) . .
C28 C19 C20 C25 2.6(8) . .
N2 C8 C9 C10 -172.3(5) . .
N2 C8 C9 C14 9.4(9) . .
N4 C18 C19 C20 160.2(5) . .
N4 C18 C19 C28 -18.3(8) . .
O1 C1 C2 C3 -170.7(5) . .
O1 C1 C4 C5 -13.4(8) . .
O1 C1 C4 C31 168.3(5) . .
O2 C6 C7 O3 59.2(7) . .
O5 C13 C14 C9 -175.0(4) . .
O5 C13 C14 O4 4.3(6) . .
O6 C16 C17 O7 63.5(7) . .
O9 N5 O11 Zn2 -4.1(7) . .
O10 N5 O11 Zn2 174.8(6) . .
Zn1 N1 O2 C6 -82.8(5) . .
Zn1 N2 O3 C7 -1.1(6) . .
Zn2 N3 O6 C16 -10.5(6) . .
Zn2 N4 O7 C17 -83.8(5) . .
C31 C4 C5 N1 168.8(6) . .
C31 C32 C33 C36 0.7(13) . .
C31 C34 C35 C36 1.9(18) . .
C32 C31 C34 C35 -1.3(13) . .
C32 C33 C36 C35 -0.1(17) . .
C34 C31 C32 C3 -179.4(7) . .
C34 C31 C32 C33 0.0(10) . .
C34 C35 C36 C33 -1.2(19) . .
Cl1 Cl1 C38 Cl2 -59.6(17) 7_566 .
Cl1 Cl1 C38 Cl3 66.2(18) 7_566 .
O14 N6 O19 O18 171.5(18) . 2
O14 N6 O18 N6 164.7(11) . 2
O14 N6 O18 O19 128(2) . 2
C30A C29 O12 Zn1 150.9(12) . .
O19 N6 O18 N6 -12(2) . 2
O19 N6 O18 O19 -48(3) . 2
O18 N6 O19 O18 -11(2) . 2
O18 N6 O18 N6 -18.2(15) 2 2
O18 N6 O18 O19 -54(3) 2 2
