#------------------------------------------------------------------------------
#$Date: 2019-03-05 09:52:05 +0100 (mar 05 de mar de 2019) $
#$Revision: 213973 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/08/7010845.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_7010845
loop_
_publ_author_name
'Bond, Andrew D.'
'Linton, David J.'
'Schooler, Paul'
'Wheatley, Andrew E. H.'
_publ_section_title
;
 Solvent-dependent assembly of mixed-metal
 N,Nâ€²-diphenylbenzamidinate oxide and alkoxide
 complexes
;
_journal_issue                   21
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3173
_journal_paper_doi               10.1039/b104444n
_journal_year                    2001
_chemical_formula_moiety
;
C86 H82 Li2 N8 O4 Zn2, (C7 H8), 2(C4 H8 O)
;
_chemical_formula_sum            'C101 H106 Li2 N8 O6 Zn2'
_chemical_formula_weight         1672.56
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                107.555(2)
_cell_angle_beta                 94.761(2)
_cell_angle_gamma                115.412(3)
_cell_formula_units_Z            1
_cell_length_a                   12.5676(6)
_cell_length_b                   13.3855(7)
_cell_length_c                   15.8867(8)
_cell_measurement_reflns_used    12399
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      1.00
_cell_volume                     2230.4(2)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius B.V. 1998)'
_computing_data_reduction
;
HKL Denzo and Scalepack (Otwinowski & Minor 1997)
;
_computing_publication_material  'SHELXL-97 (Sheldrick 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 1997)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'Thin slice ω and φ scans'
_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  0.0626
_diffrn_reflns_av_sigmaI/netI    0.0941
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18047
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         3.53
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.596
_exptl_absorpt_correction_T_max  0.971
_exptl_absorpt_correction_T_min  0.953
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav Blessing (1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.245
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             882
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.718
_refine_diff_density_min         -0.630
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     528
_refine_ls_number_reflns         7796
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0906
_refine_ls_R_factor_gt           0.0566
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0573P)²+2.0666P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1271
_refine_ls_wR_factor_ref         0.1421
_reflns_number_gt                5647
_reflns_number_total             7796
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b104444n.txt
_cod_data_source_block           aw0107
_cod_original_cell_volume        2230.39(19)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7010845
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Li1 Li 0.6031(5) -0.0265(5) 0.6412(4) 0.0291(13) Uani 1 1 d . . .
Zn1 Zn 0.61710(4) 0.05831(4) 0.47673(3) 0.02679(14) Uani 1 1 d . . .
O1 O 0.5296(2) -0.08093(19) 0.51303(15) 0.0258(5) Uani 1 1 d . . .
O2 O 0.7372(2) -0.0716(2) 0.64676(19) 0.0424(7) Uani 1 1 d . . .
N1 N 0.7638(3) 0.1941(2) 0.56896(19) 0.0284(7) Uani 1 1 d . . .
N2 N 0.6995(3) 0.1596(3) 0.6946(2) 0.0301(7) Uani 1 1 d . . .
N3 N 0.5469(3) 0.1010(3) 0.3042(2) 0.0313(7) Uani 1 1 d . . .
N4 N 0.6444(3) 0.0101(2) 0.35308(19) 0.0273(7) Uani 1 1 d . . .
C1 C 0.6943(3) -0.0695(3) 0.3341(3) 0.0309(8) Uani 1 1 d . . .
C2 C 0.6526(4) -0.1673(3) 0.2529(3) 0.0416(10) Uani 1 1 d . . .
H2A H 0.5937 -0.1788 0.2044 0.050 Uiso 1 1 calc R . .
C3 C 0.6963(4) -0.2480(4) 0.2424(3) 0.0565(12) Uani 1 1 d . . .
H3A H 0.6656 -0.3152 0.1869 0.068 Uiso 1 1 calc R . .
C4 C 0.7832(4) -0.2332(4) 0.3103(3) 0.0554(12) Uani 1 1 d . . .
H4A H 0.8130 -0.2889 0.3021 0.066 Uiso 1 1 calc R . .
C5 C 0.8261(4) -0.1361(4) 0.3905(3) 0.0464(11) Uani 1 1 d . . .
H5A H 0.8866 -0.1243 0.4381 0.056 Uiso 1 1 calc R . .
C6 C 0.7824(3) -0.0557(3) 0.4026(3) 0.0368(9) Uani 1 1 d . . .
H6A H 0.8129 0.0105 0.4587 0.044 Uiso 1 1 calc R . .
C7 C 0.6765(3) 0.0468(3) 0.2121(2) 0.0301(8) Uani 1 1 d . . .
C8 C 0.8019(3) 0.0896(3) 0.2236(3) 0.0349(9) Uani 1 1 d . . .
H8A H 0.8537 0.1241 0.2829 0.042 Uiso 1 1 calc R . .
C9 C 0.8502(4) 0.0814(4) 0.1482(3) 0.0486(11) Uani 1 1 d . . .
H9A H 0.9355 0.1118 0.1560 0.058 Uiso 1 1 calc R . .
C10 C 0.7754(5) 0.0295(5) 0.0619(3) 0.0582(13) Uani 1 1 d . . .
H10A H 0.8090 0.0232 0.0103 0.070 Uiso 1 1 calc R . .
C11 C 0.6513(5) -0.0134(4) 0.0502(3) 0.0555(12) Uani 1 1 d . . .
H11A H 0.5997 -0.0495 -0.0094 0.067 Uiso 1 1 calc R . .
C12 C 0.6029(4) -0.0037(4) 0.1247(3) 0.0412(10) Uani 1 1 d . . .
H12A H 0.5178 -0.0321 0.1163 0.049 Uiso 1 1 calc R . .
C13 C 0.6564(4) 0.2739(3) 0.2607(3) 0.0388(9) Uani 1 1 d . . .
H13A H 0.7323 0.2855 0.2895 0.047 Uiso 1 1 calc R . .
C14 C 0.6537(4) 0.3521(4) 0.2207(3) 0.0496(11) Uani 1 1 d . . .
H14A H 0.7277 0.4165 0.2224 0.060 Uiso 1 1 calc R . .
C15 C 0.5445(5) 0.3370(4) 0.1786(3) 0.0547(12) Uani 1 1 d . . .
H15A H 0.5429 0.3903 0.1509 0.066 Uiso 1 1 calc R . .
C16 C 0.4381(4) 0.2442(4) 0.1772(3) 0.0504(11) Uani 1 1 d . . .
H16A H 0.3625 0.2338 0.1487 0.061 Uiso 1 1 calc R . .
C17 C 0.4396(4) 0.1657(4) 0.2169(3) 0.0399(10) Uani 1 1 d . . .
H17A H 0.3650 0.1020 0.2154 0.048 Uiso 1 1 calc R . .
C18 C 0.5495(3) 0.1789(3) 0.2592(2) 0.0318(8) Uani 1 1 d . . .
C19 C 0.6201(3) 0.0530(3) 0.2920(2) 0.0274(8) Uani 1 1 d . . .
C20 C 0.8638(3) 0.2577(3) 0.5362(2) 0.0308(8) Uani 1 1 d . . .
C21 C 0.9794(3) 0.2736(3) 0.5659(3) 0.0376(9) Uani 1 1 d . . .
H21A H 0.9934 0.2443 0.6109 0.045 Uiso 1 1 calc R . .
C22 C 1.0741(4) 0.3317(4) 0.5306(3) 0.0451(10) Uani 1 1 d . . .
H22A H 1.1530 0.3436 0.5523 0.054 Uiso 1 1 calc R . .
C23 C 1.0539(4) 0.3725(4) 0.4640(3) 0.0449(10) Uani 1 1 d . . .
H23A H 1.1187 0.4114 0.4392 0.054 Uiso 1 1 calc R . .
C24 C 0.9401(4) 0.3568(3) 0.4335(3) 0.0414(10) Uani 1 1 d . . .
H24A H 0.9265 0.3857 0.3882 0.050 Uiso 1 1 calc R . .
C25 C 0.8449(3) 0.2987(3) 0.4690(3) 0.0334(9) Uani 1 1 d . . .
H25A H 0.7661 0.2869 0.4470 0.040 Uiso 1 1 calc R . .
C26 C 0.8676(3) 0.3576(3) 0.7188(2) 0.0318(8) Uani 1 1 d . . .
C27 C 0.9536(3) 0.3808(4) 0.7934(3) 0.0416(10) Uani 1 1 d . . .
H27A H 0.9535 0.3166 0.8074 0.050 Uiso 1 1 calc R . .
C28 C 1.0385(4) 0.4965(4) 0.8469(3) 0.0582(13) Uani 1 1 d . . .
H28A H 1.0979 0.5117 0.8968 0.070 Uiso 1 1 calc R . .
C29 C 1.0377(4) 0.5902(4) 0.8281(3) 0.0569(12) Uani 1 1 d . . .
H29A H 1.0959 0.6699 0.8656 0.068 Uiso 1 1 calc R . .
C30 C 0.9529(4) 0.5686(4) 0.7555(3) 0.0513(11) Uani 1 1 d . . .
H30A H 0.9522 0.6333 0.7428 0.062 Uiso 1 1 calc R . .
C31 C 0.8685(4) 0.4529(3) 0.7007(3) 0.0400(10) Uani 1 1 d . . .
H31A H 0.8105 0.4385 0.6502 0.048 Uiso 1 1 calc R . .
C32 C 0.6953(3) 0.2104(3) 0.7868(3) 0.0378(9) Uani 1 1 d . . .
C33 C 0.7248(4) 0.1696(4) 0.8508(3) 0.0553(12) Uani 1 1 d . . .
H33A H 0.7496 0.1102 0.8333 0.066 Uiso 1 1 calc R . .
C34 C 0.7188(5) 0.2139(5) 0.9395(3) 0.0786(18) Uani 1 1 d . . .
H34A H 0.7413 0.1865 0.9830 0.094 Uiso 1 1 calc R . .
C35 C 0.6805(5) 0.2973(6) 0.9649(3) 0.0787(19) Uani 1 1 d . . .
H35A H 0.6762 0.3277 1.0261 0.094 Uiso 1 1 calc R . .
C36 C 0.6483(4) 0.3375(5) 0.9024(4) 0.0721(16) Uani 1 1 d . . .
H36A H 0.6210 0.3950 0.9203 0.087 Uiso 1 1 calc R . .
C37 C 0.6555(4) 0.2940(4) 0.8124(3) 0.0504(11) Uani 1 1 d . . .
H37A H 0.6332 0.3218 0.7691 0.060 Uiso 1 1 calc R . .
C38 C 0.7734(3) 0.2318(3) 0.6600(2) 0.0283(8) Uani 1 1 d . . .
C39 C 0.5050(3) -0.2001(3) 0.4605(3) 0.0374(9) Uani 1 1 d . . .
H39A H 0.4615 -0.2538 0.4908 0.056 Uiso 1 1 calc R . .
H39B H 0.5818 -0.2010 0.4556 0.056 Uiso 1 1 calc R . .
H39C H 0.4550 -0.2268 0.3995 0.056 Uiso 1 1 calc R . .
C40 C 0.7251(4) -0.1890(4) 0.6253(3) 0.0484(11) Uani 1 1 d . . .
H40A H 0.7266 -0.2233 0.5611 0.058 Uiso 1 1 calc R . .
H40B H 0.6482 -0.2431 0.6354 0.058 Uiso 1 1 calc R . .
C41 C 0.8332(4) -0.1703(4) 0.6893(3) 0.0567(12) Uani 1 1 d . . .
H41A H 0.8145 -0.1751 0.7477 0.068 Uiso 1 1 calc R . .
H41B H 0.8594 -0.2302 0.6619 0.068 Uiso 1 1 calc R . .
C42 C 0.9284(5) -0.0478(6) 0.7029(6) 0.122(3) Uani 1 1 d . . .
H42A H 0.9710 -0.0019 0.7682 0.147 Uiso 1 1 calc R . .
H42B H 0.9889 -0.0518 0.6678 0.147 Uiso 1 1 calc R . .
C43 C 0.8652(4) 0.0092(4) 0.6704(4) 0.0535(12) Uani 1 1 d . . .
H43A H 0.8846 0.0858 0.7188 0.064 Uiso 1 1 calc R . .
H43B H 0.8910 0.0254 0.6166 0.064 Uiso 1 1 calc R . .
C44 C 0.4418(5) 0.5157(4) 0.5681(5) 0.0770(17) Uani 1 1 d . . .
H44A H 0.4015 0.5270 0.6153 0.092 Uiso 1 1 calc R . .
C45 C 0.4023(5) 0.5180(4) 0.4869(5) 0.0718(16) Uani 1 1 d . . .
H45A H 0.3339 0.5302 0.4775 0.086 Uiso 1 1 calc R A 1
C46 C 0.4603(5) 0.5028(4) 0.4179(4) 0.0711(15) Uani 0.50 1 d P . 1
H46A H 0.4327 0.5052 0.3614 0.085 Uiso 0.50 1 calc PR . 1
C47 C 0.4198(12) 0.5039(10) 0.3308(8) 0.086(4) Uani 0.50 1 d P . 2
H47A H 0.4730 0.4922 0.2916 0.130 Uiso 0.50 1 calc PR . 2
H47B H 0.4227 0.5807 0.3394 0.130 Uiso 0.50 1 calc PR . 2
H47C H 0.3362 0.4395 0.3022 0.130 Uiso 0.50 1 calc PR . 2
C46' C 0.4603(5) 0.5028(4) 0.4179(4) 0.0711(15) Uani 0.50 1 d P . 2
C50 C 0.0471(15) 0.2317(14) -0.0582(11) 0.174(3) Uiso 0.44 1 d PD B 1
H50A H 0.0431 0.2075 -0.1242 0.209 Uiso 0.44 1 calc PR B 1
H50B H -0.0307 0.2295 -0.0488 0.209 Uiso 0.44 1 calc PR B 1
C51 C 0.1470(16) 0.3492(13) -0.0089(12) 0.174(3) Uiso 0.44 1 d PD B 1
H51A H 0.1176 0.4086 0.0061 0.209 Uiso 0.44 1 calc PR B 1
H51B H 0.2064 0.3705 -0.0462 0.209 Uiso 0.44 1 calc PR B 1
C52 C 0.2043(16) 0.3476(13) 0.0750(10) 0.174(3) Uiso 0.44 1 d PD B 1
H52A H 0.2935 0.3829 0.0831 0.209 Uiso 0.44 1 calc PR B 1
H52B H 0.1873 0.3936 0.1288 0.209 Uiso 0.44 1 calc PR B 1
C53 C 0.1519(18) 0.2237(14) 0.0642(12) 0.174(3) Uiso 0.44 1 d PD B 1
H53A H 0.2172 0.2017 0.0701 0.209 Uiso 0.44 1 calc PR B 1
H53B H 0.1090 0.2112 0.1126 0.209 Uiso 0.44 1 calc PR B 1
C54 C 0.0699(16) 0.1510(12) -0.0216(12) 0.174(3) Uiso 0.44 1 d PD B 1
H54A H -0.0069 0.0909 -0.0157 0.209 Uiso 0.44 1 calc PR B 1
H54B H 0.1051 0.1088 -0.0626 0.209 Uiso 0.44 1 calc PR B 1
C50' C 0.1391(18) 0.247(2) -0.0684(11) 0.174(3) Uiso 0.36 1 d PD C 3
H50C H 0.1177 0.1753 -0.1228 0.209 Uiso 0.36 1 calc PR C 3
H50D H 0.1240 0.3042 -0.0881 0.209 Uiso 0.36 1 calc PR C 3
C51' C 0.2635(16) 0.3003(19) -0.0209(13) 0.174(3) Uiso 0.36 1 d PD C 3
H51C H 0.2936 0.2415 -0.0380 0.209 Uiso 0.36 1 calc PR C 3
H51D H 0.3142 0.3689 -0.0369 0.209 Uiso 0.36 1 calc PR C 3
C52' C 0.2704(16) 0.3386(17) 0.0735(12) 0.174(3) Uiso 0.36 1 d PD C 3
H52C H 0.2811 0.4206 0.0973 0.209 Uiso 0.36 1 calc PR C 3
H52D H 0.3389 0.3369 0.1075 0.209 Uiso 0.36 1 calc PR C 3
C53' C 0.153(2) 0.252(2) 0.0808(13) 0.174(3) Uiso 0.36 1 d PD C 3
H53C H 0.1588 0.1838 0.0878 0.209 Uiso 0.36 1 calc PR C 3
H53D H 0.1296 0.2907 0.1343 0.209 Uiso 0.36 1 calc PR C 3
C54' C 0.0654(14) 0.214(2) -0.0016(14) 0.174(3) Uiso 0.36 1 d PD C 3
H54C H 0.0152 0.2544 0.0087 0.209 Uiso 0.36 1 calc PR C 3
H54D H 0.0112 0.1265 -0.0245 0.209 Uiso 0.36 1 calc PR C 3
O50 O 0.0471(15) 0.2317(14) -0.0582(11) 0.174(3) Uiso 0.11 1 d P D 2
O51 O 0.1470(16) 0.3492(13) -0.0089(12) 0.174(3) Uiso 0.11 1 d P D 2
O52 O 0.2043(16) 0.3476(13) 0.0750(10) 0.174(3) Uiso 0.11 1 d P D 2
O53 O 0.1519(18) 0.2237(14) 0.0642(12) 0.174(3) Uiso 0.11 1 d P D 2
O54 O 0.0699(16) 0.1510(12) -0.0216(12) 0.174(3) Uiso 0.11 1 d P D 2
O50' O 0.1391(18) 0.247(2) -0.0684(11) 0.174(3) Uiso 0.09 1 d P E 4
O51' O 0.2635(16) 0.3003(19) -0.0209(13) 0.174(3) Uiso 0.09 1 d P E 4
O52' O 0.2704(16) 0.3386(17) 0.0735(12) 0.174(3) Uiso 0.09 1 d P E 4
O53' O 0.153(2) 0.252(2) 0.0808(13) 0.174(3) Uiso 0.09 1 d P E 4
O54' O 0.0654(14) 0.214(2) -0.0016(14) 0.174(3) Uiso 0.09 1 d P E 4
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'
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
_geom_angle_publ_flag
O1 Li1 O2 105.8(3) . . ?
O1 Li1 N2 108.9(3) . . ?
O2 Li1 N2 102.5(3) . . ?
O1 Li1 N3 103.5(3) . 2_656 ?
O2 Li1 N3 120.7(3) . 2_656 ?
N2 Li1 N3 114.8(3) . 2_656 ?
O1 Li1 Zn1 41.26(13) . 2_656 ?
O2 Li1 Zn1 145.9(3) . 2_656 ?
N2 Li1 Zn1 98.5(2) . 2_656 ?
N3 Li1 Zn1 72.21(17) 2_656 2_656 ?
O1 Li1 Zn1 37.94(12) . . ?
O2 Li1 Zn1 104.0(2) . . ?
N2 Li1 Zn1 72.48(17) . . ?
N3 Li1 Zn1 129.7(2) 2_656 . ?
Zn1 Li1 Zn1 57.62(10) 2_656 . ?
N1 Zn1 N4 113.34(12) . . ?
N1 Zn1 O1 115.15(11) . . ?
N4 Zn1 O1 112.61(10) . . ?
N1 Zn1 O1 111.21(10) . 2_656 ?
N4 Zn1 O1 116.88(10) . 2_656 ?
O1 Zn1 O1 84.74(9) . 2_656 ?
N1 Zn1 Zn1 122.18(9) . 2_656 ?
N4 Zn1 Zn1 124.48(9) . 2_656 ?
O1 Zn1 Zn1 42.38(6) . 2_656 ?
O1 Zn1 Zn1 42.36(6) 2_656 2_656 ?
N1 Zn1 Li1 136.23(14) . 2_656 ?
N4 Zn1 Li1 77.48(14) . 2_656 ?
O1 Zn1 Li1 96.44(13) . 2_656 ?
O1 Zn1 Li1 39.58(13) 2_656 2_656 ?
Zn1 Zn1 Li1 63.53(11) 2_656 2_656 ?
N1 Zn1 Li1 79.16(14) . . ?
N4 Zn1 Li1 137.85(13) . . ?
O1 Zn1 Li1 36.46(13) . . ?
O1 Zn1 Li1 92.27(12) 2_656 . ?
Zn1 Zn1 Li1 58.85(10) 2_656 . ?
Li1 Zn1 Li1 122.38(10) 2_656 . ?
C39 O1 Li1 114.1(3) . . ?
C39 O1 Zn1 123.3(2) . . ?
Li1 O1 Zn1 105.6(2) . . ?
C39 O1 Zn1 115.5(2) . 2_656 ?
Li1 O1 Zn1 99.16(19) . 2_656 ?
Zn1 O1 Zn1 95.26(9) . 2_656 ?
C43 O2 C40 106.3(3) . . ?
C43 O2 Li1 125.8(3) . . ?
C40 O2 Li1 127.9(3) . . ?
C38 N1 C20 118.6(3) . . ?
C38 N1 Zn1 124.3(2) . . ?
C20 N1 Zn1 117.1(2) . . ?
C38 N2 C32 117.7(3) . . ?
C38 N2 Li1 128.9(3) . . ?
C32 N2 Li1 112.7(3) . . ?
C19 N3 C18 119.5(3) . . ?
C19 N3 Li1 119.3(3) . 2_656 ?
C18 N3 Li1 119.1(3) . 2_656 ?
C19 N4 C1 122.3(3) . . ?
C19 N4 Zn1 121.6(2) . . ?
C1 N4 Zn1 116.2(2) . . ?
C2 C1 C6 117.5(3) . . ?
C2 C1 N4 123.3(3) . . ?
C6 C1 N4 119.0(3) . . ?
C3 C2 C1 120.4(4) . . ?
C3 C2 H2A 119.8 . . ?
C1 C2 H2A 119.8 . . ?
C4 C3 C2 121.5(4) . . ?
C4 C3 H3A 119.2 . . ?
C2 C3 H3A 119.2 . . ?
C3 C4 C5 118.6(4) . . ?
C3 C4 H4A 120.7 . . ?
C5 C4 H4A 120.7 . . ?
C4 C5 C6 120.7(4) . . ?
C4 C5 H5A 119.7 . . ?
C6 C5 H5A 119.7 . . ?
C5 C6 C1 121.3(4) . . ?
C5 C6 H6A 119.3 . . ?
C1 C6 H6A 119.3 . . ?
C12 C7 C8 119.0(3) . . ?
C12 C7 C19 119.5(3) . . ?
C8 C7 C19 121.5(3) . . ?
C9 C8 C7 119.8(4) . . ?
C9 C8 H8A 120.1 . . ?
C7 C8 H8A 120.1 . . ?
C10 C9 C8 120.4(4) . . ?
C10 C9 H9A 119.8 . . ?
C8 C9 H9A 119.8 . . ?
C9 C10 C11 120.1(4) . . ?
C9 C10 H10A 120.0 . . ?
C11 C10 H10A 120.0 . . ?
C12 C11 C10 119.9(4) . . ?
C12 C11 H11A 120.0 . . ?
C10 C11 H11A 120.0 . . ?
C11 C12 C7 120.8(4) . . ?
C11 C12 H12A 119.6 . . ?
C7 C12 H12A 119.6 . . ?
C14 C13 C18 121.0(4) . . ?
C14 C13 H13A 119.5 . . ?
C18 C13 H13A 119.5 . . ?
C15 C14 C13 120.5(4) . . ?
C15 C14 H14A 119.8 . . ?
C13 C14 H14A 119.8 . . ?
C16 C15 C14 119.2(4) . . ?
C16 C15 H15A 120.4 . . ?
C14 C15 H15A 120.4 . . ?
C15 C16 C17 120.8(4) . . ?
C15 C16 H16A 119.6 . . ?
C17 C16 H16A 119.6 . . ?
C16 C17 C18 120.8(4) . . ?
C16 C17 H17A 119.6 . . ?
C18 C17 H17A 119.6 . . ?
C13 C18 C17 117.7(3) . . ?
C13 C18 N3 123.1(3) . . ?
C17 C18 N3 119.0(3) . . ?
N3 C19 N4 118.8(3) . . ?
N3 C19 C7 121.3(3) . . ?
N4 C19 C7 119.9(3) . . ?
C25 C20 C21 118.6(3) . . ?
C25 C20 N1 119.6(3) . . ?
C21 C20 N1 121.7(3) . . ?
C22 C21 C20 120.6(4) . . ?
C22 C21 H21A 119.7 . . ?
C20 C21 H21A 119.7 . . ?
C23 C22 C21 120.0(4) . . ?
C23 C22 H22A 120.0 . . ?
C21 C22 H22A 120.0 . . ?
C24 C23 C22 120.1(4) . . ?
C24 C23 H23A 120.0 . . ?
C22 C23 H23A 120.0 . . ?
C23 C24 C25 120.0(4) . . ?
C23 C24 H24A 120.0 . . ?
C25 C24 H24A 120.0 . . ?
C20 C25 C24 120.6(4) . . ?
C20 C25 H25A 119.7 . . ?
C24 C25 H25A 119.7 . . ?
C31 C26 C27 118.7(4) . . ?
C31 C26 C38 120.3(3) . . ?
C27 C26 C38 121.0(3) . . ?
C28 C27 C26 120.3(4) . . ?
C28 C27 H27A 119.9 . . ?
C26 C27 H27A 119.9 . . ?
C27 C28 C29 120.2(4) . . ?
C27 C28 H28A 119.9 . . ?
C29 C28 H28A 119.9 . . ?
C30 C29 C28 120.1(4) . . ?
C30 C29 H29A 119.9 . . ?
C28 C29 H29A 119.9 . . ?
C29 C30 C31 120.1(4) . . ?
C29 C30 H30A 120.0 . . ?
C31 C30 H30A 120.0 . . ?
C30 C31 C26 120.7(4) . . ?
C30 C31 H31A 119.7 . . ?
C26 C31 H31A 119.7 . . ?
C37 C32 C33 119.0(4) . . ?
C37 C32 N2 121.6(4) . . ?
C33 C32 N2 119.3(4) . . ?
C34 C33 C32 121.0(5) . . ?
C34 C33 H33A 119.5 . . ?
C32 C33 H33A 119.5 . . ?
C35 C34 C33 119.9(5) . . ?
C35 C34 H34A 120.0 . . ?
C33 C34 H34A 120.0 . . ?
C34 C35 C36 120.2(5) . . ?
C34 C35 H35A 119.9 . . ?
C36 C35 H35A 119.9 . . ?
C35 C36 C37 120.2(5) . . ?
C35 C36 H36A 119.9 . . ?
C37 C36 H36A 119.9 . . ?
C32 C37 C36 119.7(5) . . ?
C32 C37 H37A 120.2 . . ?
C36 C37 H37A 120.2 . . ?
N2 C38 N1 119.9(3) . . ?
N2 C38 C26 121.7(3) . . ?
N1 C38 C26 118.4(3) . . ?
O1 C39 H39A 109.5 . . ?
O1 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
O1 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O2 C40 C41 104.6(3) . . ?
O2 C40 H40A 110.8 . . ?
C41 C40 H40A 110.8 . . ?
O2 C40 H40B 110.8 . . ?
C41 C40 H40B 110.8 . . ?
H40A C40 H40B 108.9 . . ?
C42 C41 C40 103.5(4) . . ?
C42 C41 H41A 111.1 . . ?
C40 C41 H41A 111.1 . . ?
C42 C41 H41B 111.1 . . ?
C40 C41 H41B 111.1 . . ?
H41A C41 H41B 109.0 . . ?
C43 C42 C41 106.6(4) . . ?
C43 C42 H42A 110.4 . . ?
C41 C42 H42A 110.4 . . ?
C43 C42 H42B 110.4 . . ?
C41 C42 H42B 110.4 . . ?
H42A C42 H42B 108.6 . . ?
O2 C43 C42 107.3(4) . . ?
O2 C43 H43A 110.3 . . ?
C42 C43 H43A 110.3 . . ?
O2 C43 H43B 110.3 . . ?
C42 C43 H43B 110.3 . . ?
H43A C43 H43B 108.5 . . ?
C45 C44 C46' 120.0(6) . 2_666 ?
C45 C44 C46 120.0(6) . 2_666 ?
C46' C44 C46 0.0(6) 2_666 2_666 ?
C45 C44 H44A 120.0 . . ?
C46' C44 H44A 120.0 2_666 . ?
C46 C44 H44A 120.0 2_666 . ?
C44 C45 C46 120.8(6) . . ?
C44 C45 H45A 119.6 . . ?
C46 C45 H45A 119.6 . . ?
C44 C46 C45 119.2(6) 2_666 . ?
C44 C46 H46A 120.4 2_666 . ?
C45 C46 H46A 120.4 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C51 C50 C54 106.2(9) . . ?
C51 C50 H50A 110.5 . . ?
C54 C50 H50A 110.5 . . ?
C51 C50 H50B 110.5 . . ?
C54 C50 H50B 110.5 . . ?
H50A C50 H50B 108.7 . . ?
C50 C51 C52 107.3(9) . . ?
C50 C51 H51A 110.3 . . ?
C52 C51 H51A 110.3 . . ?
C50 C51 H51B 110.3 . . ?
C52 C51 H51B 110.3 . . ?
H51A C51 H51B 108.5 . . ?
C53 C52 C51 106.0(8) . . ?
C53 C52 H52A 110.5 . . ?
C51 C52 H52A 110.5 . . ?
C53 C52 H52B 110.5 . . ?
C51 C52 H52B 110.5 . . ?
H52A C52 H52B 108.7 . . ?
C54 C53 C52 110.1(9) . . ?
C54 C53 H53A 109.6 . . ?
C52 C53 H53A 109.6 . . ?
C54 C53 H53B 109.6 . . ?
C52 C53 H53B 109.6 . . ?
H53A C53 H53B 108.2 . . ?
C53 C54 C50 106.3(9) . . ?
C53 C54 H54A 110.5 . . ?
C50 C54 H54A 110.5 . . ?
C53 C54 H54B 110.5 . . ?
C50 C54 H54B 110.5 . . ?
H54A C54 H54B 108.7 . . ?
C51' C50' C54' 105.9(9) . . ?
C51' C50' H50C 110.6 . . ?
C54' C50' H50C 110.6 . . ?
C51' C50' H50D 110.6 . . ?
C54' C50' H50D 110.6 . . ?
H50C C50' H50D 108.7 . . ?
C52' C51' C50' 107.9(10) . . ?
C52' C51' H51C 110.1 . . ?
C50' C51' H51C 110.1 . . ?
C52' C51' H51D 110.1 . . ?
C50' C51' H51D 110.1 . . ?
H51C C51' H51D 108.4 . . ?
C51' C52' C53' 104.2(10) . . ?
C51' C52' H52C 110.9 . . ?
C53' C52' H52C 110.9 . . ?
C51' C52' H52D 110.9 . . ?
C53' C52' H52D 110.9 . . ?
H52C C52' H52D 108.9 . . ?
C54' C53' C52' 106.8(10) . . ?
C54' C53' H53C 110.4 . . ?
C52' C53' H53C 110.4 . . ?
C54' C53' H53D 110.4 . . ?
C52' C53' H53D 110.4 . . ?
H53C C53' H53D 108.6 . . ?
C53' C54' C50' 105.2(9) . . ?
C53' C54' H54C 110.7 . . ?
C50' C54' H54C 110.7 . . ?
C53' C54' H54D 110.7 . . ?
C50' C54' H54D 110.7 . . ?
H54C C54' H54D 108.8 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Li1 O1 1.936(6) . ?
Li1 O2 2.024(6) . ?
Li1 N2 2.087(6) . ?
Li1 N3 2.117(6) 2_656 ?
Li1 Zn1 2.999(6) 2_656 ?
Li1 Zn1 3.137(6) . ?
Zn1 N1 1.980(3) . ?
Zn1 N4 1.982(3) . ?
Zn1 O1 2.003(2) . ?
Zn1 O1 2.004(2) 2_656 ?
Zn1 Zn1 2.9600(8) 2_656 ?
Zn1 Li1 2.999(6) 2_656 ?
O1 C39 1.438(4) . ?
O1 Zn1 2.004(2) 2_656 ?
O2 C43 1.435(5) . ?
O2 C40 1.439(5) . ?
N1 C38 1.357(4) . ?
N1 C20 1.426(4) . ?
N2 C38 1.316(5) . ?
N2 C32 1.434(5) . ?
N3 C19 1.327(4) . ?
N3 C18 1.422(4) . ?
N3 Li1 2.117(6) 2_656 ?
N4 C19 1.342(4) . ?
N4 C1 1.425(4) . ?
C1 C2 1.390(5) . ?
C1 C6 1.396(5) . ?
C2 C3 1.383(6) . ?
C2 H2A 0.9500 . ?
C3 C4 1.373(6) . ?
C3 H3A 0.9500 . ?
C4 C5 1.374(6) . ?
C4 H4A 0.9500 . ?
C5 C6 1.378(5) . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9500 . ?
C7 C12 1.388(5) . ?
C7 C8 1.400(5) . ?
C7 C19 1.503(5) . ?
C8 C9 1.383(5) . ?
C8 H8A 0.9500 . ?
C9 C10 1.378(6) . ?
C9 H9A 0.9500 . ?
C10 C11 1.384(6) . ?
C10 H10A 0.9500 . ?
C11 C12 1.372(6) . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 C14 1.388(5) . ?
C13 C18 1.390(5) . ?
C13 H13A 0.9500 . ?
C14 C15 1.379(6) . ?
C14 H14A 0.9500 . ?
C15 C16 1.373(6) . ?
C15 H15A 0.9500 . ?
C16 C17 1.385(6) . ?
C16 H16A 0.9500 . ?
C17 C18 1.398(5) . ?
C17 H17A 0.9500 . ?
C20 C25 1.386(5) . ?
C20 C21 1.392(5) . ?
C21 C22 1.384(5) . ?
C21 H21A 0.9500 . ?
C22 C23 1.379(6) . ?
C22 H22A 0.9500 . ?
C23 C24 1.375(6) . ?
C23 H23A 0.9500 . ?
C24 C25 1.390(5) . ?
C24 H24A 0.9500 . ?
C25 H25A 0.9500 . ?
C26 C31 1.386(5) . ?
C26 C27 1.395(5) . ?
C26 C38 1.505(5) . ?
C27 C28 1.376(6) . ?
C27 H27A 0.9500 . ?
C28 C29 1.377(6) . ?
C28 H28A 0.9500 . ?
C29 C30 1.372(6) . ?
C29 H29A 0.9500 . ?
C30 C31 1.379(6) . ?
C30 H30A 0.9500 . ?
C31 H31A 0.9500 . ?
C32 C37 1.380(6) . ?
C32 C33 1.384(6) . ?
C33 C34 1.377(7) . ?
C33 H33A 0.9500 . ?
C34 C35 1.365(8) . ?
C34 H34A 0.9500 . ?
C35 C36 1.372(8) . ?
C35 H35A 0.9500 . ?
C36 C37 1.399(6) . ?
C36 H36A 0.9500 . ?
C37 H37A 0.9500 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.506(6) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.492(7) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.473(6) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.357(8) . ?
C44 C46' 1.370(8) 2_666 ?
C44 C46 1.370(8) 2_666 ?
C44 H44A 0.9500 . ?
C45 C46 1.378(8) . ?
C45 H45A 0.9500 . ?
C46 C44 1.370(8) 2_666 ?
C46 H46A 0.9500 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C50 C51 1.436(10) . ?
C50 C54 1.485(10) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.472(10) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C53 1.445(10) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.404(10) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C50' C51' 1.430(10) . ?
C50' C54' 1.508(10) . ?
C50' H50C 0.9900 . ?
C50' H50D 0.9900 . ?
C51' C52' 1.412(10) . ?
C51' H51C 0.9900 . ?
C51' H51D 0.9900 . ?
C52' C53' 1.472(11) . ?
C52' H52C 0.9900 . ?
C52' H52D 0.9900 . ?
C53' C54' 1.436(10) . ?
C53' H53C 0.9900 . ?
C53' H53D 0.9900 . ?
C54' H54C 0.9900 . ?
C54' H54D 0.9900 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Li1 Zn1 N1 -170.8(2) . . . . ?
O2 Li1 Zn1 N1 -72.9(2) . . . . ?
N2 Li1 Zn1 N1 26.01(16) . . . . ?
N3 Li1 Zn1 N1 134.0(3) 2_656 . . . ?
Zn1 Li1 Zn1 N1 138.53(12) 2_656 . . . ?
O1 Li1 Zn1 N4 -57.9(3) . . . . ?
O2 Li1 Zn1 N4 40.0(3) . . . . ?
N2 Li1 Zn1 N4 138.94(17) . . . . ?
N3 Li1 Zn1 N4 -113.1(3) 2_656 . . . ?
Zn1 Li1 Zn1 N4 -108.54(17) 2_656 . . . ?
O2 Li1 Zn1 O1 97.9(3) . . . . ?
N2 Li1 Zn1 O1 -163.1(3) . . . . ?
N3 Li1 Zn1 O1 -55.2(3) 2_656 . . . ?
Zn1 Li1 Zn1 O1 -50.63(15) 2_656 . . . ?
O1 Li1 Zn1 O1 77.99(19) . . . 2_656 ?
O2 Li1 Zn1 O1 175.9(2) . . . 2_656 ?
N2 Li1 Zn1 O1 -85.16(16) . . . 2_656 ?
N3 Li1 Zn1 O1 22.8(3) 2_656 . . 2_656 ?
Zn1 Li1 Zn1 O1 27.36(9) 2_656 . . 2_656 ?
O1 Li1 Zn1 Zn1 50.63(15) . . . 2_656 ?
O2 Li1 Zn1 Zn1 148.5(3) . . . 2_656 ?
N2 Li1 Zn1 Zn1 -112.52(18) . . . 2_656 ?
N3 Li1 Zn1 Zn1 -4.5(3) 2_656 . . 2_656 ?
O1 Li1 Zn1 Li1 50.63(15) . . . 2_656 ?
O2 Li1 Zn1 Li1 148.5(3) . . . 2_656 ?
N2 Li1 Zn1 Li1 -112.52(18) . . . 2_656 ?
N3 Li1 Zn1 Li1 -4.5(3) 2_656 . . 2_656 ?
O2 Li1 O1 C39 45.9(4) . . . . ?
N2 Li1 O1 C39 155.5(3) . . . . ?
N3 Li1 O1 C39 -82.0(3) 2_656 . . . ?
Zn1 Li1 O1 C39 -123.4(3) 2_656 . . . ?
Zn1 Li1 O1 C39 138.5(3) . . . . ?
O2 Li1 O1 Zn1 -92.6(2) . . . . ?
N2 Li1 O1 Zn1 17.0(3) . . . . ?
N3 Li1 O1 Zn1 139.5(2) 2_656 . . . ?
Zn1 Li1 O1 Zn1 98.13(13) 2_656 . . . ?
O2 Li1 O1 Zn1 169.3(2) . . . 2_656 ?
N2 Li1 O1 Zn1 -81.1(3) . . . 2_656 ?
N3 Li1 O1 Zn1 41.4(2) 2_656 . . 2_656 ?
Zn1 Li1 O1 Zn1 -98.13(13) . . . 2_656 ?
N1 Zn1 O1 C39 -123.7(2) . . . . ?
N4 Zn1 O1 C39 8.3(3) . . . . ?
O1 Zn1 O1 C39 125.3(3) 2_656 . . . ?
Zn1 Zn1 O1 C39 125.3(3) 2_656 . . . ?
Li1 Zn1 O1 C39 87.4(3) 2_656 . . . ?
Li1 Zn1 O1 C39 -133.7(3) . . . . ?
N1 Zn1 O1 Li1 9.9(2) . . . . ?
N4 Zn1 O1 Li1 142.0(2) . . . . ?
O1 Zn1 O1 Li1 -101.0(2) 2_656 . . . ?
Zn1 Zn1 O1 Li1 -101.0(2) 2_656 . . . ?
Li1 Zn1 O1 Li1 -138.93(14) 2_656 . . . ?
N1 Zn1 O1 Zn1 110.99(11) . . . 2_656 ?
N4 Zn1 O1 Zn1 -116.97(11) . . . 2_656 ?
Li1 Zn1 O1 Zn1 -37.88(14) 2_656 . . 2_656 ?
Li1 Zn1 O1 Zn1 101.0(2) . . . 2_656 ?
O1 Li1 O2 C43 106.5(4) . . . . ?
N2 Li1 O2 C43 -7.5(5) . . . . ?
N3 Li1 O2 C43 -136.7(4) 2_656 . . . ?
Zn1 Li1 O2 C43 119.2(5) 2_656 . . . ?
Zn1 Li1 O2 C43 67.3(4) . . . . ?
O1 Li1 O2 C40 -71.1(4) . . . . ?
N2 Li1 O2 C40 174.8(3) . . . . ?
N3 Li1 O2 C40 45.7(5) 2_656 . . . ?
Zn1 Li1 O2 C40 -58.5(6) 2_656 . . . ?
Zn1 Li1 O2 C40 -110.4(3) . . . . ?
N4 Zn1 N1 C38 -169.7(2) . . . . ?
O1 Zn1 N1 C38 -38.1(3) . . . . ?
O1 Zn1 N1 C38 56.2(3) 2_656 . . . ?
Zn1 Zn1 N1 C38 10.0(3) 2_656 . . . ?
Li1 Zn1 N1 C38 94.0(3) 2_656 . . . ?
Li1 Zn1 N1 C38 -32.1(3) . . . . ?
N4 Zn1 N1 C20 12.1(3) . . . . ?
O1 Zn1 N1 C20 143.8(2) . . . . ?
O1 Zn1 N1 C20 -122.0(2) 2_656 . . . ?
Zn1 Zn1 N1 C20 -168.1(2) 2_656 . . . ?
Li1 Zn1 N1 C20 -84.1(3) 2_656 . . . ?
Li1 Zn1 N1 C20 149.8(3) . . . . ?
O1 Li1 N2 C38 -44.6(4) . . . . ?
O2 Li1 N2 C38 67.1(4) . . . . ?
N3 Li1 N2 C38 -160.1(3) 2_656 . . . ?
Zn1 Li1 N2 C38 -85.9(3) 2_656 . . . ?
Zn1 Li1 N2 C38 -33.8(3) . . . . ?
O1 Li1 N2 C32 145.2(3) . . . . ?
O2 Li1 N2 C32 -103.0(3) . . . . ?
N3 Li1 N2 C32 29.7(4) 2_656 . . . ?
Zn1 Li1 N2 C32 104.0(3) 2_656 . . . ?
Zn1 Li1 N2 C32 156.0(2) . . . . ?
N1 Zn1 N4 C19 -93.9(3) . . . . ?
O1 Zn1 N4 C19 133.1(3) . . . . ?
O1 Zn1 N4 C19 37.4(3) 2_656 . . . ?
Zn1 Zn1 N4 C19 86.3(3) 2_656 . . . ?
Li1 Zn1 N4 C19 41.3(3) 2_656 . . . ?
Li1 Zn1 N4 C19 166.2(3) . . . . ?
N1 Zn1 N4 C1 84.3(3) . . . . ?
O1 Zn1 N4 C1 -48.6(3) . . . . ?
O1 Zn1 N4 C1 -144.4(2) 2_656 . . . ?
Zn1 Zn1 N4 C1 -95.4(2) 2_656 . . . ?
Li1 Zn1 N4 C1 -140.5(3) 2_656 . . . ?
Li1 Zn1 N4 C1 -15.6(3) . . . . ?
C19 N4 C1 C2 -45.2(5) . . . . ?
Zn1 N4 C1 C2 136.6(3) . . . . ?
C19 N4 C1 C6 140.5(4) . . . . ?
Zn1 N4 C1 C6 -37.7(4) . . . . ?
C6 C1 C2 C3 1.1(6) . . . . ?
N4 C1 C2 C3 -173.3(4) . . . . ?
C1 C2 C3 C4 -1.3(7) . . . . ?
N4 C1 C6 C5 174.4(3) . . . . ?
C19 C7 C8 C9 179.5(3) . . . . ?
C7 C8 C9 C10 -1.2(6) . . . . ?
C19 C7 C12 C11 -178.3(4) . . . . ?
C14 C13 C18 N3 -175.8(3) . . . . ?
C16 C17 C18 N3 176.0(3) . . . . ?
C19 N3 C18 C13 -49.3(5) . . . . ?
Li1 N3 C18 C13 147.3(3) 2_656 . . . ?
C19 N3 C18 C17 135.5(4) . . . . ?
Li1 N3 C18 C17 -27.8(5) 2_656 . . . ?
C18 N3 C19 N4 160.3(3) . . . . ?
Li1 N3 C19 N4 -36.4(5) 2_656 . . . ?
C18 N3 C19 C7 -19.2(5) . . . . ?
Li1 N3 C19 C7 144.1(3) 2_656 . . . ?
C1 N4 C19 N3 163.1(3) . . . . ?
Zn1 N4 C19 N3 -18.8(4) . . . . ?
C1 N4 C19 C7 -17.3(5) . . . . ?
Zn1 N4 C19 C7 160.8(2) . . . . ?
C12 C7 C19 N3 -53.0(5) . . . . ?
C8 C7 C19 N3 127.9(4) . . . . ?
C12 C7 C19 N4 127.5(4) . . . . ?
C8 C7 C19 N4 -51.6(5) . . . . ?
C38 N1 C20 C25 -127.2(4) . . . . ?
Zn1 N1 C20 C25 51.0(4) . . . . ?
C38 N1 C20 C21 56.8(5) . . . . ?
Zn1 N1 C20 C21 -124.9(3) . . . . ?
N1 C20 C21 C22 177.6(3) . . . . ?
N1 C20 C25 C24 -177.5(3) . . . . ?
C23 C24 C25 C20 1.0(6) . . . . ?
C31 C26 C27 C28 -0.9(6) . . . . ?
C38 C26 C27 C28 -179.5(4) . . . . ?
C26 C27 C28 C29 1.3(7) . . . . ?
C38 C26 C31 C30 178.6(4) . . . . ?
C38 N2 C32 C37 63.6(5) . . . . ?
Li1 N2 C32 C37 -125.0(4) . . . . ?
C38 N2 C32 C33 -120.3(4) . . . . ?
Li1 N2 C32 C33 51.1(4) . . . . ?
C37 C32 C33 C34 -2.1(6) . . . . ?
N2 C32 C33 C34 -178.3(4) . . . . ?
C32 C33 C34 C35 1.6(7) . . . . ?
C33 C32 C37 C36 1.3(6) . . . . ?
N2 C32 C37 C36 177.4(4) . . . . ?
C32 N2 C38 N1 -166.9(3) . . . . ?
Li1 N2 C38 N1 23.3(5) . . . . ?
C32 N2 C38 C26 11.4(5) . . . . ?
Li1 N2 C38 C26 -158.4(3) . . . . ?
C20 N1 C38 N2 -161.9(3) . . . . ?
Zn1 N1 C38 N2 20.0(4) . . . . ?
C20 N1 C38 C26 19.7(4) . . . . ?
Zn1 N1 C38 C26 -158.4(2) . . . . ?
C31 C26 C38 N2 -122.6(4) . . . . ?
C27 C26 C38 N2 56.0(5) . . . . ?
C31 C26 C38 N1 55.8(5) . . . . ?
C27 C26 C38 N1 -125.6(4) . . . . ?
C43 O2 C40 C41 34.9(4) . . . . ?
Li1 O2 C40 C41 -147.1(4) . . . . ?
O2 C40 C41 C42 -30.7(6) . . . . ?
C40 C41 C42 C43 15.6(7) . . . . ?
C40 O2 C43 C42 -25.1(6) . . . . ?
Li1 O2 C43 C42 156.8(5) . . . . ?
C41 C42 C43 O2 5.2(8) . . . . ?
C54 C50 C51 C52 -19(2) . . . . ?
C50 C51 C52 C53 11(2) . . . . ?
C51 C52 C53 C54 2(2) . . . . ?
C52 C53 C54 C50 -13(2) . . . . ?
C51 C50 C54 C53 20(2) . . . . ?
C54' C50' C51' C52' -21(3) . . . . ?
C50' C51' C52' C53' 31(2) . . . . ?
C51' C52' C53' C54' -30(3) . . . . ?
C52' C53' C54' C50' 18(3) . . . . ?
