#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:56:09 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180161 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/57/7105708.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_7105708
loop_
_publ_author_name
'Carl Redshaw'
'Surajit Jana'
'Congxiao Shang'
'Mark Elsegood'
'Xuesong Lu'
'Zhengxiao Guo'
_publ_section_title
;
 Enhancement of H2 uptake via fluorination but not lithiation for Zn4N8
 and Zn4N6O type clusters.
;
_journal_name_full               Chem.Commun.
_journal_page_first              9055
_journal_paper_doi               10.1039/c0cc03380d
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C28 H82 Li2 N12 O2 Zn8'
_chemical_formula_sum            'C28 H82 Li2 N12 O2 Zn8'
_chemical_formula_weight         1155.9
_chemical_name_systematic
;
?
;
_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 except H11A&B coords freely refined'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.0290(18)
_cell_angle_beta                 91.4522(17)
_cell_angle_gamma                117.6991(19)
_cell_formula_units_Z            1
_cell_length_a                   10.1483(3)
_cell_length_b                   10.8241(3)
_cell_length_c                   13.5695(5)
_cell_measurement_reflns_used    31841
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     1198.09(7)
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1997) & COLLECT'
_computing_data_collection       'COLLECT (Hooft, R.W.W., 1998)'
_computing_data_reduction        'DENZO & COLLECT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean '4096x4096pixels / 62x62mm'
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type
'Bruker-Nonius APEX II CCD camera on Κ-goniostat'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  '10cm confocal mirrors'
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0555
_diffrn_reflns_av_sigmaI/netI    0.0559
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            22176
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         3.15
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.969
_exptl_absorpt_correction_T_max  0.925
_exptl_absorpt_correction_T_min  0.769
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2007/2, Sheldrick, G.M., (2007)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             596
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.784
_refine_diff_density_min         -0.660
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.172
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     251
_refine_ls_number_reflns         5464
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.172
_refine_ls_R_factor_all          0.0836
_refine_ls_R_factor_gt           0.0523
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+4.1345P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0850
_refine_ls_wR_factor_ref         0.0966
_reflns_number_gt                4080
_reflns_number_total             5464
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            C0CC03380D.TXT
_cod_data_source_block           7
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7105708
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
Zn1 Zn 0.44818(6) 0.56128(6) 0.73266(5) 0.02403(14) Uani 1 1 d . . .
Zn2 Zn 0.65770(6) 0.42372(6) 0.64066(4) 0.02366(14) Uani 1 1 d . . .
Zn3 Zn 0.76184(6) 0.76672(6) 0.68452(4) 0.02177(14) Uani 1 1 d . . .
Zn4 Zn 0.77878(6) 0.68748(6) 0.88708(4) 0.02438(14) Uani 1 1 d . . .
O1 O 0.5710(3) 0.5505(3) 0.6195(3) 0.0225(7) Uani 1 1 d . . .
N1 N 0.5516(4) 0.5059(4) 0.8298(3) 0.0259(9) Uani 1 1 d . . .
H1 H 0.5047 0.4978 0.8870 0.031 Uiso 1 1 calc R . .
N2 N 0.5478(5) 0.3628(4) 0.7643(3) 0.0276(9) Uani 1 1 d . . .
C1 C 0.3883(6) 0.2335(6) 0.7222(5) 0.0380(13) Uani 1 1 d . . .
H1A H 0.3873 0.1386 0.6784 0.057 Uiso 1 1 calc R . .
H1B H 0.3304 0.2534 0.6771 0.057 Uiso 1 1 calc R . .
H1C H 0.3415 0.2227 0.7830 0.057 Uiso 1 1 calc R . .
C2 C 0.6370(6) 0.3309(6) 0.8294(4) 0.0347(12) Uani 1 1 d . . .
H2A H 0.7435 0.4154 0.8553 0.052 Uiso 1 1 calc R . .
H2B H 0.6331 0.2348 0.7843 0.052 Uiso 1 1 calc R . .
H2C H 0.5933 0.3212 0.8916 0.052 Uiso 1 1 calc R . .
N3 N 0.7413(4) 0.8351(4) 0.8396(3) 0.0226(8) Uani 1 1 d . . .
H3 H 0.8140 0.9376 0.8815 0.027 Uiso 1 1 calc R . .
N4 N 0.5849(4) 0.8054(5) 0.8423(3) 0.0254(9) Uani 1 1 d . . .
C3 C 0.5549(6) 0.9030(6) 0.8027(4) 0.0305(11) Uani 1 1 d . . .
H3A H 0.6240 1.0114 0.8513 0.046 Uiso 1 1 calc R . .
H3B H 0.4486 0.8780 0.8012 0.046 Uiso 1 1 calc R . .
H3C H 0.5722 0.8842 0.7293 0.046 Uiso 1 1 calc R . .
C4 C 0.5645(6) 0.8376(6) 0.9541(4) 0.0336(12) Uani 1 1 d . . .
H4A H 0.5900 0.7772 0.9816 0.050 Uiso 1 1 calc R . .
H4B H 0.4579 0.8097 0.9547 0.050 Uiso 1 1 calc R . .
H4C H 0.6321 0.9472 1.0004 0.050 Uiso 1 1 calc R . .
N5 N 0.8559(4) 0.6000(4) 0.7513(3) 0.0228(8) Uani 1 1 d . . .
H5 H 0.9180 0.5650 0.7676 0.027 Uiso 1 1 calc R . .
N6 N 0.9352(4) 0.7165(4) 0.7102(3) 0.0241(9) Uani 1 1 d . . .
C5 C 0.9738(6) 0.6519(6) 0.6070(4) 0.0294(11) Uani 1 1 d . . .
H5A H 1.0362 0.6088 0.6178 0.044 Uiso 1 1 calc R . .
H5B H 1.0313 0.7334 0.5831 0.044 Uiso 1 1 calc R . .
H5C H 0.8794 0.5708 0.5517 0.044 Uiso 1 1 calc R . .
C6 C 1.0771(5) 0.8453(6) 0.7908(4) 0.0314(12) Uani 1 1 d . . .
H6A H 1.0526 0.8860 0.8603 0.047 Uiso 1 1 calc R . .
H6B H 1.1263 0.9265 0.7654 0.047 Uiso 1 1 calc R . .
H6C H 1.1467 0.8089 0.8004 0.047 Uiso 1 1 calc R . .
C7 C 0.2266(6) 0.4929(7) 0.6987(5) 0.0359(12) Uani 1 1 d . . .
H7A H 0.2156 0.5685 0.6800 0.043 Uiso 1 1 calc R . .
H7B H 0.1737 0.3934 0.6339 0.043 Uiso 1 1 calc R . .
C8 C 0.1478(7) 0.4743(8) 0.7898(5) 0.0458(15) Uani 1 1 d . . .
H8A H 0.1616 0.4029 0.8112 0.069 Uiso 1 1 calc R . .
H8B H 0.0384 0.4336 0.7651 0.069 Uiso 1 1 calc R . .
H8C H 0.1925 0.5744 0.8521 0.069 Uiso 1 1 calc R . .
C9 C 0.6349(6) 0.2446(6) 0.5109(4) 0.0326(12) Uani 1 1 d . . .
H9A H 0.5267 0.1605 0.4854 0.039 Uiso 1 1 calc R . .
H9B H 0.6653 0.2760 0.4511 0.039 Uiso 1 1 calc R . .
C10 C 0.7361(7) 0.1884(7) 0.5416(5) 0.0434(14) Uani 1 1 d . . .
H10A H 0.8419 0.2741 0.5719 0.065 Uiso 1 1 calc R . .
H10B H 0.7319 0.1068 0.4768 0.065 Uiso 1 1 calc R . .
H10C H 0.6993 0.1483 0.5958 0.065 Uiso 1 1 calc R . .
C11 C 0.7930(6) 0.8659(6) 0.5808(4) 0.0284(11) Uani 1 1 d . . .
H11A H 0.801(6) 0.811(6) 0.512(5) 0.034 Uiso 1 1 d . . .
H11B H 0.707(6) 0.875(6) 0.560(4) 0.034 Uiso 1 1 d . . .
C12 C 0.9398(7) 1.0232(6) 0.6293(5) 0.0415(14) Uani 1 1 d . . .
H12A H 0.9313 1.0888 0.6976 0.062 Uiso 1 1 calc R . .
H12B H 0.9551 1.0710 0.5782 0.062 Uiso 1 1 calc R . .
H12C H 1.0271 1.0107 0.6431 0.062 Uiso 1 1 calc R . .
C13 C 0.9016(6) 0.7635(6) 1.0353(4) 0.0318(12) Uani 1 1 d . . .
H13A H 0.9503 0.8768 1.0709 0.038 Uiso 1 1 calc R . .
H13B H 0.8311 0.7212 1.0787 0.038 Uiso 1 1 calc R . .
C14 C 1.0270(6) 0.7215(6) 1.0372(4) 0.0354(12) Uani 1 1 d . . .
H14A H 0.9800 0.6095 1.0048 0.053 Uiso 1 1 calc R . .
H14B H 1.0819 0.7639 1.1125 0.053 Uiso 1 1 calc R . .
H14C H 1.0989 0.7644 0.9957 0.053 Uiso 1 1 calc R . .
Li1 Li 0.4409(12) 0.3766(11) 0.4884(8) 0.047(3) Uani 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'
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
C7 Zn1 O1 123.40(19) . . ?
C7 Zn1 N1 126.5(2) . . ?
O1 Zn1 N1 97.14(14) . . ?
C7 Zn1 N4 111.4(2) . . ?
O1 Zn1 N4 100.43(14) . . ?
N1 Zn1 N4 91.08(15) . . ?
C7 Zn1 Li1 93.1(3) . . ?
O1 Zn1 Li1 34.6(2) . . ?
N1 Zn1 Li1 107.5(2) . . ?
N4 Zn1 Li1 131.5(2) . . ?
C9 Zn2 O1 118.88(18) . . ?
C9 Zn2 N5 126.60(18) . . ?
O1 Zn2 N5 98.05(14) . . ?
C9 Zn2 N2 114.23(19) . . ?
O1 Zn2 N2 100.81(14) . . ?
N5 Zn2 N2 92.78(15) . . ?
C9 Zn2 Li1 76.9(3) . . ?
O1 Zn2 Li1 44.5(2) . . ?
N5 Zn2 Li1 139.3(2) . . ?
N2 Zn2 Li1 107.5(3) . . ?
C11 Zn3 N3 131.86(19) . . ?
C11 Zn3 O1 110.99(17) . . ?
N3 Zn3 O1 98.94(14) . . ?
C11 Zn3 N6 113.01(19) . . ?
N3 Zn3 N6 96.27(15) . . ?
O1 Zn3 N6 101.10(14) . . ?
C11 Zn3 Li1 62.8(3) . 2_666 ?
N3 Zn3 Li1 129.2(3) . 2_666 ?
O1 Zn3 Li1 48.4(2) . 2_666 ?
N6 Zn3 Li1 124.0(3) . 2_666 ?
C13 Zn4 N1 122.4(2) . . ?
C13 Zn4 N3 120.93(19) . . ?
N1 Zn4 N3 95.90(15) . . ?
C13 Zn4 N5 118.60(18) . . ?
N1 Zn4 N5 96.08(15) . . ?
N3 Zn4 N5 97.03(15) . . ?
Li1 O1 Li1 72.2(5) . 2_666 ?
Li1 O1 Zn1 108.6(4) . . ?
Li1 O1 Zn1 120.5(4) 2_666 . ?
Li1 O1 Zn2 87.0(3) . . ?
Li1 O1 Zn2 135.3(4) 2_666 . ?
Zn1 O1 Zn2 103.34(14) . . ?
Li1 O1 Zn3 144.7(4) . . ?
Li1 O1 Zn3 78.3(3) 2_666 . ?
Zn1 O1 Zn3 102.73(14) . . ?
Zn2 O1 Zn3 101.27(13) . . ?
N2 N1 Zn1 109.8(3) . . ?
N2 N1 Zn4 109.4(3) . . ?
Zn1 N1 Zn4 104.58(17) . . ?
N1 N2 C1 110.2(4) . . ?
N1 N2 C2 110.6(4) . . ?
C1 N2 C2 109.6(4) . . ?
N1 N2 Zn2 99.9(3) . . ?
C1 N2 Zn2 114.1(3) . . ?
C2 N2 Zn2 112.0(3) . . ?
N4 N3 Zn3 109.8(3) . . ?
N4 N3 Zn4 110.3(3) . . ?
Zn3 N3 Zn4 101.27(16) . . ?
N3 N4 C4 109.7(4) . . ?
N3 N4 C3 110.4(4) . . ?
C4 N4 C3 109.6(4) . . ?
N3 N4 Zn1 101.5(2) . . ?
C4 N4 Zn1 112.8(3) . . ?
C3 N4 Zn1 112.5(3) . . ?
N6 N5 Zn2 109.5(3) . . ?
N6 N5 Zn4 110.0(3) . . ?
Zn2 N5 Zn4 103.09(16) . . ?
N5 N6 C6 109.7(4) . . ?
N5 N6 C5 111.0(4) . . ?
C6 N6 C5 109.1(4) . . ?
N5 N6 Zn3 100.1(2) . . ?
C6 N6 Zn3 115.7(3) . . ?
C5 N6 Zn3 111.0(3) . . ?
C8 C7 Zn1 114.4(4) . . ?
C10 C9 Zn2 109.4(4) . . ?
C12 C11 Zn3 109.7(4) . . ?
C12 C11 Li1 177.5(5) . 2_666 ?
Zn3 C11 Li1 69.0(3) . 2_666 ?
C14 C13 Zn4 114.9(3) . . ?
O1 Li1 O1 107.8(5) . 2_666 ?
O1 Li1 Li1 54.3(4) . 2_666 ?
O1 Li1 Li1 53.5(4) 2_666 2_666 ?
O1 Li1 C11 142.4(6) . 2_666 ?
O1 Li1 C11 101.2(4) 2_666 2_666 ?
Li1 Li1 C11 146.6(8) 2_666 2_666 ?
O1 Li1 Zn3 154.4(5) . 2_666 ?
O1 Li1 Zn3 53.2(3) 2_666 2_666 ?
Li1 Li1 Zn3 104.6(6) 2_666 2_666 ?
C11 Li1 Zn3 48.2(2) 2_666 2_666 ?
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
Zn1 C7 1.993(5) . ?
Zn1 O1 2.007(3) . ?
Zn1 N1 2.069(4) . ?
Zn1 N4 2.188(4) . ?
Zn2 C9 2.006(5) . ?
Zn2 O1 2.032(3) . ?
Zn2 N5 2.040(4) . ?
Zn2 N2 2.167(4) . ?
Zn3 C11 2.006(5) . ?
Zn3 N3 2.016(4) . ?
Zn3 O1 2.056(3) . ?
Zn3 N6 2.123(4) . ?
Zn4 C13 2.002(5) . ?
Zn4 N1 2.093(4) . ?
Zn4 N3 2.099(4) . ?
Zn4 N5 2.101(4) . ?
O1 Li1 1.902(10) . ?
O1 Li1 1.921(10) 2_666 ?
N1 N2 1.464(5) . ?
N2 C1 1.476(6) . ?
N2 C2 1.480(6) . ?
N3 N4 1.470(5) . ?
N4 C4 1.473(6) . ?
N4 C3 1.482(6) . ?
N5 N6 1.460(5) . ?
N6 C6 1.474(6) . ?
N6 C5 1.478(6) . ?
C7 C8 1.512(8) . ?
C9 C10 1.530(8) . ?
C11 C12 1.530(7) . ?
C13 C14 1.540(7) . ?
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
C7 Zn1 O1 Li1 -32.6(4) . . . . ?
N1 Zn1 O1 Li1 110.6(4) . . . . ?
N4 Zn1 O1 Li1 -157.0(4) . . . . ?
C7 Zn1 O1 Li1 47.2(4) . . . 2_666 ?
N1 Zn1 O1 Li1 -169.6(4) . . . 2_666 ?
N4 Zn1 O1 Li1 -77.2(4) . . . 2_666 ?
Li1 Zn1 O1 Li1 79.8(5) . . . 2_666 ?
C7 Zn1 O1 Zn2 -123.9(2) . . . . ?
N1 Zn1 O1 Zn2 19.24(16) . . . . ?
N4 Zn1 O1 Zn2 111.67(15) . . . . ?
Li1 Zn1 O1 Zn2 -91.3(4) . . . . ?
C7 Zn1 O1 Zn3 131.0(2) . . . . ?
N1 Zn1 O1 Zn3 -85.80(15) . . . . ?
N4 Zn1 O1 Zn3 6.63(16) . . . . ?
Li1 Zn1 O1 Zn3 163.6(4) . . . . ?
C9 Zn2 O1 Li1 21.7(4) . . . . ?
N5 Zn2 O1 Li1 161.6(4) . . . . ?
N2 Zn2 O1 Li1 -104.0(4) . . . . ?
C9 Zn2 O1 Li1 -39.0(5) . . . 2_666 ?
N5 Zn2 O1 Li1 101.0(5) . . . 2_666 ?
N2 Zn2 O1 Li1 -164.6(5) . . . 2_666 ?
Li1 Zn2 O1 Li1 -60.7(7) . . . 2_666 ?
C9 Zn2 O1 Zn1 130.1(2) . . . . ?
N5 Zn2 O1 Zn1 -89.94(16) . . . . ?
N2 Zn2 O1 Zn1 4.46(17) . . . . ?
Li1 Zn2 O1 Zn1 108.4(4) . . . . ?
C9 Zn2 O1 Zn3 -123.8(2) . . . . ?
N5 Zn2 O1 Zn3 16.21(16) . . . . ?
N2 Zn2 O1 Zn3 110.62(15) . . . . ?
Li1 Zn2 O1 Zn3 -145.4(4) . . . . ?
C11 Zn3 O1 Li1 27.6(7) . . . . ?
N3 Zn3 O1 Li1 169.2(7) . . . . ?
N6 Zn3 O1 Li1 -92.5(7) . . . . ?
Li1 Zn3 O1 Li1 33.5(10) 2_666 . . . ?
C11 Zn3 O1 Li1 -5.9(4) . . . 2_666 ?
N3 Zn3 O1 Li1 135.7(4) . . . 2_666 ?
N6 Zn3 O1 Li1 -126.0(4) . . . 2_666 ?
C11 Zn3 O1 Zn1 -124.9(2) . . . . ?
N3 Zn3 O1 Zn1 16.75(16) . . . . ?
N6 Zn3 O1 Zn1 114.99(15) . . . . ?
Li1 Zn3 O1 Zn1 -119.0(4) 2_666 . . . ?
C11 Zn3 O1 Zn2 128.49(19) . . . . ?
N3 Zn3 O1 Zn2 -89.89(15) . . . . ?
N6 Zn3 O1 Zn2 8.36(17) . . . . ?
Li1 Zn3 O1 Zn2 134.4(4) 2_666 . . . ?
C7 Zn1 N1 N2 88.5(4) . . . . ?
O1 Zn1 N1 N2 -53.0(3) . . . . ?
N4 Zn1 N1 N2 -153.6(3) . . . . ?
Li1 Zn1 N1 N2 -19.1(4) . . . . ?
C7 Zn1 N1 Zn4 -154.2(2) . . . . ?
O1 Zn1 N1 Zn4 64.33(17) . . . . ?
N4 Zn1 N1 Zn4 -36.32(18) . . . . ?
Li1 Zn1 N1 Zn4 98.2(2) . . . . ?
C13 Zn4 N1 N2 -96.6(3) . . . . ?
N3 Zn4 N1 N2 130.8(3) . . . . ?
N5 Zn4 N1 N2 33.1(3) . . . . ?
C13 Zn4 N1 Zn1 145.87(19) . . . . ?
N3 Zn4 N1 Zn1 13.23(19) . . . . ?
N5 Zn4 N1 Zn1 -84.51(18) . . . . ?
Zn1 N1 N2 C1 -65.2(4) . . . . ?
Zn4 N1 N2 C1 -179.4(3) . . . . ?
Zn1 N1 N2 C2 173.4(3) . . . . ?
Zn4 N1 N2 C2 59.1(4) . . . . ?
Zn1 N1 N2 Zn2 55.2(3) . . . . ?
Zn4 N1 N2 Zn2 -59.0(3) . . . . ?
C9 Zn2 N2 N1 -166.3(3) . . . . ?
O1 Zn2 N2 N1 -37.6(3) . . . . ?
N5 Zn2 N2 N1 61.1(3) . . . . ?
Li1 Zn2 N2 N1 -83.1(3) . . . . ?
C9 Zn2 N2 C1 -48.8(4) . . . . ?
O1 Zn2 N2 C1 79.9(3) . . . . ?
N5 Zn2 N2 C1 178.7(3) . . . . ?
Li1 Zn2 N2 C1 34.4(4) . . . . ?
C9 Zn2 N2 C2 76.6(4) . . . . ?
O1 Zn2 N2 C2 -154.7(3) . . . . ?
N5 Zn2 N2 C2 -56.0(3) . . . . ?
Li1 Zn2 N2 C2 159.8(4) . . . . ?
C11 Zn3 N3 N4 79.6(3) . . . . ?
O1 Zn3 N3 N4 -49.3(3) . . . . ?
N6 Zn3 N3 N4 -151.6(3) . . . . ?
Li1 Zn3 N3 N4 -6.9(4) 2_666 . . . ?
C11 Zn3 N3 Zn4 -163.9(2) . . . . ?
O1 Zn3 N3 Zn4 67.25(16) . . . . ?
N6 Zn3 N3 Zn4 -35.07(17) . . . . ?
Li1 Zn3 N3 Zn4 109.6(3) 2_666 . . . ?
C13 Zn4 N3 N4 -103.5(3) . . . . ?
N1 Zn4 N3 N4 30.1(3) . . . . ?
N5 Zn4 N3 N4 127.0(3) . . . . ?
C13 Zn4 N3 Zn3 140.3(2) . . . . ?
N1 Zn4 N3 Zn3 -86.07(17) . . . . ?
N5 Zn4 N3 Zn3 10.82(17) . . . . ?
Zn3 N3 N4 C4 173.1(3) . . . . ?
Zn4 N3 N4 C4 62.4(4) . . . . ?
Zn3 N3 N4 C3 -66.0(4) . . . . ?
Zn4 N3 N4 C3 -176.7(3) . . . . ?
Zn3 N3 N4 Zn1 53.5(3) . . . . ?
Zn4 N3 N4 Zn1 -57.2(3) . . . . ?
C7 Zn1 N4 N3 -170.2(3) . . . . ?
O1 Zn1 N4 N3 -37.9(3) . . . . ?
N1 Zn1 N4 N3 59.5(3) . . . . ?
Li1 Zn1 N4 N3 -55.1(4) . . . . ?
C7 Zn1 N4 C4 72.5(4) . . . . ?
O1 Zn1 N4 C4 -155.2(3) . . . . ?
N1 Zn1 N4 C4 -57.8(3) . . . . ?
Li1 Zn1 N4 C4 -172.5(4) . . . . ?
C7 Zn1 N4 C3 -52.2(4) . . . . ?
O1 Zn1 N4 C3 80.1(3) . . . . ?
N1 Zn1 N4 C3 177.6(3) . . . . ?
Li1 Zn1 N4 C3 62.9(4) . . . . ?
C9 Zn2 N5 N6 83.9(3) . . . . ?
O1 Zn2 N5 N6 -51.6(3) . . . . ?
N2 Zn2 N5 N6 -152.9(3) . . . . ?
Li1 Zn2 N5 N6 -31.7(5) . . . . ?
C9 Zn2 N5 Zn4 -159.0(2) . . . . ?
O1 Zn2 N5 Zn4 65.51(17) . . . . ?
N2 Zn2 N5 Zn4 -35.82(17) . . . . ?
Li1 Zn2 N5 Zn4 85.3(4) . . . . ?
C13 Zn4 N5 N6 -99.7(3) . . . . ?
N1 Zn4 N5 N6 128.1(3) . . . . ?
N3 Zn4 N5 N6 31.3(3) . . . . ?
C13 Zn4 N5 Zn2 143.5(2) . . . . ?
N1 Zn4 N5 Zn2 11.34(18) . . . . ?
N3 Zn4 N5 Zn2 -85.40(17) . . . . ?
Zn2 N5 N6 C6 179.0(3) . . . . ?
Zn4 N5 N6 C6 66.4(4) . . . . ?
Zn2 N5 N6 C5 -60.4(4) . . . . ?
Zn4 N5 N6 C5 -173.0(3) . . . . ?
Zn2 N5 N6 Zn3 56.9(2) . . . . ?
Zn4 N5 N6 Zn3 -55.7(3) . . . . ?
C11 Zn3 N6 N5 -159.7(3) . . . . ?
N3 Zn3 N6 N5 59.4(3) . . . . ?
O1 Zn3 N6 N5 -41.0(3) . . . . ?
Li1 Zn3 N6 N5 -87.9(4) 2_666 . . . ?
C11 Zn3 N6 C6 82.6(4) . . . . ?
N3 Zn3 N6 C6 -58.3(4) . . . . ?
O1 Zn3 N6 C6 -158.7(3) . . . . ?
Li1 Zn3 N6 C6 154.4(4) 2_666 . . . ?
C11 Zn3 N6 C5 -42.4(4) . . . . ?
N3 Zn3 N6 C5 176.7(3) . . . . ?
O1 Zn3 N6 C5 76.3(3) . . . . ?
Li1 Zn3 N6 C5 29.4(4) 2_666 . . . ?
O1 Zn1 C7 C8 165.7(4) . . . . ?
N1 Zn1 C7 C8 33.5(5) . . . . ?
N4 Zn1 C7 C8 -74.9(4) . . . . ?
Li1 Zn1 C7 C8 147.9(4) . . . . ?
O1 Zn2 C9 C10 168.3(3) . . . . ?
N5 Zn2 C9 C10 40.8(5) . . . . ?
N2 Zn2 C9 C10 -72.9(4) . . . . ?
Li1 Zn2 C9 C10 -176.3(4) . . . . ?
N3 Zn3 C11 C12 58.1(5) . . . . ?
O1 Zn3 C11 C12 -177.4(3) . . . . ?
N6 Zn3 C11 C12 -64.6(4) . . . . ?
Li1 Zn3 C11 C12 177.7(5) 2_666 . . . ?
N3 Zn3 C11 Li1 -119.6(4) . . . 2_666 ?
O1 Zn3 C11 Li1 5.0(3) . . . 2_666 ?
N6 Zn3 C11 Li1 117.7(3) . . . 2_666 ?
N1 Zn4 C13 C14 107.4(4) . . . . ?
N3 Zn4 C13 C14 -131.1(4) . . . . ?
N5 Zn4 C13 C14 -11.8(5) . . . . ?
Li1 O1 Li1 O1 0.0 2_666 . . 2_666 ?
Zn1 O1 Li1 O1 117.0(5) . . . 2_666 ?
Zn2 O1 Li1 O1 -139.9(5) . . . 2_666 ?
Zn3 O1 Li1 O1 -34.6(10) . . . 2_666 ?
Zn1 O1 Li1 Li1 117.0(5) . . . 2_666 ?
Zn2 O1 Li1 Li1 -139.9(5) . . . 2_666 ?
Zn3 O1 Li1 Li1 -34.6(10) . . . 2_666 ?
Li1 O1 Li1 C11 -138.7(13) 2_666 . . 2_666 ?
Zn1 O1 Li1 C11 -21.7(10) . . . 2_666 ?
Zn2 O1 Li1 C11 81.3(9) . . . 2_666 ?
Zn3 O1 Li1 C11 -173.3(5) . . . 2_666 ?
Li1 O1 Li1 Zn3 -38.4(9) 2_666 . . 2_666 ?
Zn1 O1 Li1 Zn3 78.6(13) . . . 2_666 ?
Zn2 O1 Li1 Zn3 -178.3(13) . . . 2_666 ?
Zn3 O1 Li1 Zn3 -72.9(16) . . . 2_666 ?
