#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:49:15 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179395 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/92/4329252.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_4329252
loop_
_publ_author_name
'Yuanting Su'
'Yanxia Zhao'
'Jing Gao'
'Qingsong Dong'
'Biao Wu'
'Xiao-Juan Yang'
_publ_contact_author_address
; Lanzhou Institute of Chemical Physics, 
Chinese Academy of Sciences, Lanzhou 730000, P. R. China
;
_publ_contact_author_email       yangxj@lzb.ac.cn
_publ_contact_author_fax         +86-931-4968286
_publ_contact_author_name        'Xiao-Juan, Yang'
_publ_contact_author_phone       +86-931-4968286
_publ_section_title
;
 Alkali Metal and Zinc Complexes of a Bridging
 2,5-Diamino-1,4-Benzoquinonediimine Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5889
_journal_page_last               5896
_journal_paper_doi               10.1021/ic3004867
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C70 H110 Cl4 Li2 N4 O8 Zn2'
_chemical_formula_weight         1422.04
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 94.964(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.105(2)
_cell_length_b                   18.571(3)
_cell_length_c                   17.111(3)
_cell_measurement_temperature    173(2)
_cell_volume                     4148.7(12)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART APEX II'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.952
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω scan'
_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  0.0448
_diffrn_reflns_av_sigmaI/netI    0.0559
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20318
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    0.754
_exptl_absorpt_correction_T_max  0.8338
_exptl_absorpt_correction_T_min  0.8053
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.138
_exptl_crystal_description       block
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         3.911
_refine_diff_density_min         -1.274
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         7001
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.1268
_refine_ls_R_factor_gt           0.1043
_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)+(0.1985P)²+23.8125P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3056
_refine_ls_wR_factor_ref         0.3243
_reflns_number_gt                5094
_reflns_number_total             7001
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic3004867_si_002_8.cif
_cod_data_source_block           Zn-Li-dabqdi-DME
_cod_original_cell_volume        4148.9(12)
_cod_database_code               4329252
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Zn1 Zn 0.43292(7) 0.00383(4) 0.77220(5) 0.0287(3) Uani 1 1 d .
Cl1 Cl 0.47968(16) 0.07162(11) 0.66969(10) 0.0364(5) Uani 1 1 d .
Cl2 Cl 0.31264(11) -0.08293(7) 0.72900(8) 0.0164(4) Uani 1 1 d .
O3 O 0.3398(6) 0.1080(5) 0.4619(4) 0.070(2) Uani 1 1 d .
O4 O 0.5325(7) 0.1526(6) 0.5076(5) 0.089(3) Uani 1 1 d .
N1 N 0.5487(5) -0.0314(3) 0.8495(3) 0.0261(13) Uani 1 1 d .
N2 N 0.3930(5) 0.0565(3) 0.8684(3) 0.0242(12) Uani 1 1 d .
C1 C 0.5279(6) -0.0205(4) 0.9233(4) 0.0254(15) Uani 1 1 d .
C2 C 0.4394(6) 0.0294(3) 0.9341(4) 0.0246(15) Uani 1 1 d .
C3 C 0.4151(5) 0.0478(3) 1.0094(4) 0.0235(14) Uani 1 1 d .
H3 H 0.3592 0.0793 1.0155 0.028 Uiso 1 1 calc R
C4 C 0.6437(6) -0.0635(4) 0.8332(4) 0.0271(15) Uani 1 1 d .
C5 C 0.7225(6) -0.0175(4) 0.8150(4) 0.0344(17) Uani 1 1 d .
C6 C 0.8146(7) -0.0461(5) 0.7978(5) 0.045(2) Uani 1 1 d .
H6 H 0.8685 -0.0148 0.7859 0.055 Uiso 1 1 calc R
C7 C 0.8308(7) -0.1212(5) 0.7975(6) 0.051(2) Uani 1 1 d .
H7 H 0.8950 -0.1408 0.7866 0.061 Uiso 1 1 calc R
C8 C 0.7509(7) -0.1651(5) 0.8135(5) 0.043(2) Uani 1 1 d .
H8 H 0.7602 -0.2158 0.8118 0.052 Uiso 1 1 calc R
C9 C 0.6565(6) -0.1382(4) 0.8322(4) 0.0327(17) Uani 1 1 d .
C10 C 0.7094(7) 0.0642(5) 0.8143(5) 0.043(2) Uani 1 1 d .
H10 H 0.6344 0.0748 0.8095 0.052 Uiso 1 1 calc R
C11 C 0.7560(10) 0.0966(6) 0.8929(6) 0.065(3) Uani 1 1 d .
H11A H 0.8272 0.0806 0.9031 0.097 Uiso 1 1 calc R
H11B H 0.7163 0.0805 0.9356 0.097 Uiso 1 1 calc R
H11C H 0.7541 0.1493 0.8898 0.097 Uiso 1 1 calc R
C12 C 0.7558(10) 0.1003(6) 0.7466(7) 0.069(3) Uani 1 1 d .
H12A H 0.8307 0.0975 0.7546 0.104 Uiso 1 1 calc R
H12B H 0.7347 0.1510 0.7438 0.104 Uiso 1 1 calc R
H12C H 0.7322 0.0760 0.6975 0.104 Uiso 1 1 calc R
C13 C 0.5721(7) -0.1907(4) 0.8487(5) 0.0395(19) Uani 1 1 d .
H13 H 0.5174 -0.1627 0.8724 0.047 Uiso 1 1 calc R
C14 C 0.5243(8) -0.2239(5) 0.7720(6) 0.054(2) Uani 1 1 d .
H14A H 0.5078 -0.1856 0.7336 0.081 Uiso 1 1 calc R
H14B H 0.4616 -0.2497 0.7820 0.081 Uiso 1 1 calc R
H14C H 0.5730 -0.2575 0.7514 0.081 Uiso 1 1 calc R
C15 C 0.6094(10) -0.2493(6) 0.9078(6) 0.065(3) Uani 1 1 d .
H15A H 0.6657 -0.2762 0.8874 0.097 Uiso 1 1 calc R
H15B H 0.5529 -0.2822 0.9159 0.097 Uiso 1 1 calc R
H15C H 0.6335 -0.2268 0.9578 0.097 Uiso 1 1 calc R
C16 C 0.3258(6) 0.1169(4) 0.8710(4) 0.0292(16) Uani 1 1 d .
C17 C 0.2210(6) 0.1071(4) 0.8782(4) 0.0334(17) Uani 1 1 d .
C18 C 0.1591(7) 0.1694(5) 0.8761(5) 0.042(2) Uani 1 1 d .
H18 H 0.0878 0.1646 0.8812 0.050 Uiso 1 1 calc R
C19 C 0.1997(8) 0.2365(5) 0.8668(5) 0.049(2) Uani 1 1 d .
H19 H 0.1562 0.2774 0.8651 0.059 Uiso 1 1 calc R
C20 C 0.3021(7) 0.2452(5) 0.8600(5) 0.041(2) Uani 1 1 d .
H20 H 0.3293 0.2920 0.8538 0.049 Uiso 1 1 calc R
C21 C 0.3675(7) 0.1847(4) 0.8620(4) 0.0349(18) Uani 1 1 d .
C22 C 0.1745(7) 0.0339(5) 0.8892(6) 0.050(2) Uani 1 1 d .
H22 H 0.2309 -0.0025 0.8936 0.060 Uiso 1 1 calc R
C23 C 0.0999(9) 0.0147(6) 0.8173(8) 0.074(3) Uani 1 1 d .
H23A H 0.0587 0.0571 0.8012 0.111 Uiso 1 1 calc R
H23B H 0.0546 -0.0244 0.8311 0.111 Uiso 1 1 calc R
H23C H 0.1390 -0.0007 0.7740 0.111 Uiso 1 1 calc R
C24 C 0.1194(10) 0.0312(7) 0.9639(8) 0.080(4) Uani 1 1 d .
H24A H 0.1672 0.0442 1.0088 0.120 Uiso 1 1 calc R
H24B H 0.0934 -0.0176 0.9712 0.120 Uiso 1 1 calc R
H24C H 0.0620 0.0652 0.9596 0.120 Uiso 1 1 calc R
C25 C 0.4824(7) 0.1963(4) 0.8558(5) 0.0403(19) Uani 1 1 d .
H25 H 0.5116 0.1484 0.8432 0.048 Uiso 1 1 calc R
C26 C 0.5381(9) 0.2207(7) 0.9334(6) 0.069(3) Uani 1 1 d .
H26A H 0.5128 0.2682 0.9475 0.103 Uiso 1 1 calc R
H26B H 0.6118 0.2235 0.9279 0.103 Uiso 1 1 calc R
H26C H 0.5255 0.1860 0.9746 0.103 Uiso 1 1 calc R
C27 C 0.5071(10) 0.2469(6) 0.7911(7) 0.069(3) Uani 1 1 d .
H27A H 0.4735 0.2300 0.7410 0.104 Uiso 1 1 calc R
H27B H 0.5814 0.2483 0.7880 0.104 Uiso 1 1 calc R
H27C H 0.4823 0.2953 0.8023 0.104 Uiso 1 1 calc R
C32 C 0.2378(14) 0.1099(17) 0.4387(14) 0.209(16) Uani 1 1 d .
H32A H 0.2205 0.0701 0.4023 0.314 Uiso 1 1 calc R
H32B H 0.2208 0.1558 0.4125 0.314 Uiso 1 1 calc R
H32C H 0.1986 0.1051 0.4847 0.314 Uiso 1 1 calc R
C33 C 0.4052(15) 0.1071(9) 0.4011(8) 0.107(6) Uani 1 1 d .
H33A H 0.4028 0.1535 0.3725 0.128 Uiso 1 1 calc R
H33B H 0.3868 0.0677 0.3635 0.128 Uiso 1 1 calc R
C34 C 0.5143(16) 0.0941(10) 0.4459(11) 0.119(6) Uani 1 1 d .
H34A H 0.5169 0.0461 0.4711 0.143 Uiso 1 1 calc R
H34B H 0.5679 0.0961 0.4085 0.143 Uiso 1 1 calc R
C35 C 0.6270(13) 0.1351(14) 0.5307(13) 0.163(11) Uani 1 1 d .
H35A H 0.6581 0.1106 0.4879 0.244 Uiso 1 1 calc R
H35B H 0.6276 0.1028 0.5761 0.244 Uiso 1 1 calc R
H35C H 0.6662 0.1787 0.5454 0.244 Uiso 1 1 calc R
Li1 Li 0.3971(13) 0.1527(9) 0.5630(8) 0.050(4) Uani 1 1 d .
C28 C 0.2122(10) 0.1239(7) 0.6565(7) 0.075(3) Uiso 1 1 d .
H28A H 0.2551 0.1174 0.7058 0.112 Uiso 1 1 calc R
H28B H 0.2001 0.0771 0.6309 0.112 Uiso 1 1 calc R
H28C H 0.1465 0.1452 0.6675 0.112 Uiso 1 1 calc R
C30 C 0.3133(10) 0.2949(7) 0.5915(7) 0.074(3) Uiso 1 1 d .
H30A H 0.2743 0.3067 0.5409 0.089 Uiso 1 1 calc R
H30B H 0.3278 0.3401 0.6209 0.089 Uiso 1 1 calc R
C31 C 0.4779(13) 0.3028(8) 0.5394(9) 0.100(5) Uiso 1 1 d .
H31A H 0.4546 0.3075 0.4837 0.150 Uiso 1 1 calc R
H31B H 0.5450 0.2792 0.5448 0.150 Uiso 1 1 calc R
H31C H 0.4835 0.3507 0.5635 0.150 Uiso 1 1 calc R
C29 C 0.2556(15) 0.2459(10) 0.6364(10) 0.115(5) Uiso 1 1 d .
H29A H 0.1829 0.2611 0.6330 0.138 Uiso 1 1 calc R
H29B H 0.2826 0.2475 0.6922 0.138 Uiso 1 1 calc R
O2 O 0.4046(7) 0.2597(5) 0.5785(5) 0.081(2) Uiso 1 1 d .
O1 O 0.2626(9) 0.1704(6) 0.6063(6) 0.105(3) Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 '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
N2 Zn1 N1 81.8(2) . .
N2 Zn1 Cl1 117.64(17) . .
N1 Zn1 Cl1 116.22(18) . .
N2 Zn1 Cl2 112.17(18) . .
N1 Zn1 Cl2 115.52(17) . .
Cl1 Zn1 Cl2 110.89(7) . .
Zn1 Cl1 Li1 138.9(4) . .
C32 O3 C33 115.6(14) . .
C32 O3 Li1 121.7(10) . .
C33 O3 Li1 116.0(10) . .
C35 O4 C34 96.8(17) . .
C35 O4 Li1 133.2(10) . .
C34 O4 Li1 103.2(10) . .
C1 N1 C4 120.1(6) . .
C1 N1 Zn1 111.5(5) . .
C4 N1 Zn1 128.4(4) . .
C2 N2 C16 120.6(6) . .
C2 N2 Zn1 111.9(5) . .
C16 N2 Zn1 127.4(4) . .
N1 C1 C3 125.7(7) . 3_657
N1 C1 C2 115.6(6) . .
C3 C1 C2 118.6(6) 3_657 .
N2 C2 C3 124.3(7) . .
N2 C2 C1 115.4(6) . .
C3 C2 C1 120.2(6) . .
C2 C3 C1 121.2(7) . 3_657
C2 C3 H3 119.4 . .
C1 C3 H3 119.4 3_657 .
C5 C4 C9 120.9(7) . .
C5 C4 N1 117.4(7) . .
C9 C4 N1 121.6(7) . .
C6 C5 C4 119.4(8) . .
C6 C5 C10 118.9(7) . .
C4 C5 C10 121.7(7) . .
C5 C6 C7 121.2(8) . .
C5 C6 H6 119.4 . .
C7 C6 H6 119.4 . .
C8 C7 C6 118.0(8) . .
C8 C7 H7 121.0 . .
C6 C7 H7 121.0 . .
C7 C8 C9 122.6(8) . .
C7 C8 H8 118.7 . .
C9 C8 H8 118.7 . .
C8 C9 C4 117.9(7) . .
C8 C9 C13 119.1(7) . .
C4 C9 C13 123.0(7) . .
C12 C10 C5 113.2(8) . .
C12 C10 C11 109.8(9) . .
C5 C10 C11 110.2(8) . .
C12 C10 H10 107.8 . .
C5 C10 H10 107.8 . .
C11 C10 H10 107.8 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C9 C13 C14 110.4(7) . .
C9 C13 C15 112.4(8) . .
C14 C13 C15 111.3(8) . .
C9 C13 H13 107.5 . .
C14 C13 H13 107.5 . .
C15 C13 H13 107.5 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C21 C16 C17 121.7(7) . .
C21 C16 N2 117.4(7) . .
C17 C16 N2 120.8(7) . .
C16 C17 C18 117.2(8) . .
C16 C17 C22 122.5(7) . .
C18 C17 C22 120.3(8) . .
C19 C18 C17 121.4(8) . .
C19 C18 H18 119.3 . .
C17 C18 H18 119.3 . .
C20 C19 C18 120.8(8) . .
C20 C19 H19 119.6 . .
C18 C19 H19 119.6 . .
C19 C20 C21 120.2(8) . .
C19 C20 H20 119.9 . .
C21 C20 H20 119.9 . .
C16 C21 C20 118.8(8) . .
C16 C21 C25 122.2(7) . .
C20 C21 C25 119.0(7) . .
C17 C22 C24 111.2(9) . .
C17 C22 C23 110.1(8) . .
C24 C22 C23 110.3(10) . .
C17 C22 H22 108.4 . .
C24 C22 H22 108.4 . .
C23 C22 H22 108.4 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C27 C25 C26 109.6(8) . .
C27 C25 C21 114.4(8) . .
C26 C25 C21 112.3(7) . .
C27 C25 H25 106.7 . .
C26 C25 H25 106.7 . .
C21 C25 H25 106.7 . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
O3 C32 H32A 109.5 . .
O3 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
O3 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
O3 C33 C34 103.2(12) . .
O3 C33 H33A 111.1 . .
C34 C33 H33A 111.1 . .
O3 C33 H33B 111.1 . .
C34 C33 H33B 111.1 . .
H33A C33 H33B 109.1 . .
O4 C34 C33 107.9(13) . .
O4 C34 H34A 110.1 . .
C33 C34 H34A 110.1 . .
O4 C34 H34B 110.1 . .
C33 C34 H34B 110.1 . .
H34A C34 H34B 108.4 . .
O4 C35 H35A 109.5 . .
O4 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
O4 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
O1 Li1 O2 79.8(7) . .
O1 Li1 O3 96.4(8) . .
O2 Li1 O3 122.3(8) . .
O1 Li1 O4 169.4(10) . .
O2 Li1 O4 91.5(8) . .
O3 Li1 O4 82.9(6) . .
O1 Li1 Cl1 99.6(6) . .
O2 Li1 Cl1 118.7(7) . .
O3 Li1 Cl1 118.7(8) . .
O4 Li1 Cl1 90.0(6) . .
O1 C28 H28A 109.5 . .
O1 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
O1 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
O2 C30 C29 106.6(12) . .
O2 C30 H30A 110.4 . .
C29 C30 H30A 110.4 . .
O2 C30 H30B 110.4 . .
C29 C30 H30B 110.4 . .
H30A C30 H30B 108.6 . .
O2 C31 H31A 109.5 . .
O2 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
O2 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C30 C29 O1 110.8(14) . .
C30 C29 H29A 109.5 . .
O1 C29 H29A 109.5 . .
C30 C29 H29B 109.5 . .
O1 C29 H29B 109.5 . .
H29A C29 H29B 108.1 . .
C30 O2 C31 115.1(10) . .
C30 O2 Li1 116.8(9) . .
C31 O2 Li1 120.7(9) . .
C28 O1 C29 108.4(11) . .
C28 O1 Li1 126.5(10) . .
C29 O1 Li1 111.3(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N2 2.023(6) .
Zn1 N1 2.033(6) .
Zn1 Cl1 2.2855(18) .
Zn1 Cl2 2.3292(15) .
Cl1 Li1 2.536(15) .
O3 C32 1.362(19) .
O3 C33 1.403(15) .
O3 Li1 2.006(17) .
O4 C35 1.308(19) .
O4 C34 1.521(19) .
O4 Li1 2.083(18) .
N1 C1 1.330(9) .
N1 C4 1.430(9) .
N2 C2 1.329(9) .
N2 C16 1.428(9) .
C1 C3 1.411(10) 3_657
C1 C2 1.508(10) .
C2 C3 1.397(9) .
C3 C1 1.411(10) 3_657
C3 H3 0.9500 .
C4 C5 1.396(11) .
C4 C9 1.398(10) .
C5 C6 1.375(11) .
C5 C10 1.526(11) .
C6 C7 1.411(13) .
C6 H6 0.9500 .
C7 C8 1.373(13) .
C7 H7 0.9500 .
C8 C9 1.396(11) .
C8 H8 0.9500 .
C9 C13 1.519(12) .
C10 C12 1.512(13) .
C10 C11 1.550(13) .
C10 H10 1.0000 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.534(12) .
C13 C15 1.535(12) .
C13 H13 1.0000 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C21 1.387(11) .
C16 C17 1.402(11) .
C17 C18 1.411(11) .
C17 C22 1.507(12) .
C18 C19 1.370(13) .
C18 H18 0.9500 .
C19 C20 1.366(14) .
C19 H19 0.9500 .
C20 C21 1.411(11) .
C20 H20 0.9500 .
C21 C25 1.533(12) .
C22 C24 1.522(14) .
C22 C23 1.546(16) .
C22 H22 1.0000 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C27 1.508(13) .
C25 C26 1.528(14) .
C25 H25 1.0000 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 C34 1.58(3) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
Li1 O1 2.00(2) .
Li1 O2 2.006(19) .
C28 O1 1.421(15) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C30 O2 1.397(15) .
C30 C29 1.45(2) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 O2 1.456(17) .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C29 O1 1.498(19) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
