#------------------------------------------------------------------------------
#$Date: 2018-08-22 02:19:31 +0300 (Wed, 22 Aug 2018) $
#$Revision: 210044 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/23/4302350.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_4302350
loop_
_publ_author_name
'Clegg, William'
'Graham, David V.'
'Herd, Emma'
'Hevia, Eva'
'Kennedy, Alan R.'
'McCall, Matthew D.'
'Russo, Luca'
_publ_section_title
;
 Donor-Dictated Interlocking Co-Complexation Reactions of LiNHDipp with
 Dimethylzinc: Synthesis and Structures of New Methyl(amido)zincates
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   12
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5320
_journal_page_last               5327
_journal_paper_doi               10.1021/ic900313b
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C23 H47 Li N4 Zn, 0.5 C7 H8'
_chemical_formula_sum            'C26.5 H51 Li N4 Zn'
_chemical_formula_weight         498.02
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.976(7)
_cell_angle_beta                 101.641(8)
_cell_angle_gamma                104.928(7)
_cell_formula_units_Z            2
_cell_length_a                   9.6061(10)
_cell_length_b                   9.8717(07)
_cell_length_c                   16.5903(17)
_cell_measurement_reflns_used    6781
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.5
_cell_volume                     1482.6(3)
_computing_cell_refinement       EvalCCD
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        EvalCCD
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Nonius KappaCCD diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0250
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21036
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         5.29
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.847
_exptl_absorpt_correction_T_max  0.734
_exptl_absorpt_correction_T_min  0.626
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.116
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             542
_exptl_crystal_size_max          0.61
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.39
_refine_diff_density_max         0.352
_refine_diff_density_min         -0.210
_refine_diff_density_rms         0.038
_refine_ls_extinction_coef       0.0074(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     323
_refine_ls_number_reflns         5171
_refine_ls_number_restraints     99
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0331
_refine_ls_R_factor_gt           0.0275
_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)+(0.0333P)²+0.5902P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0702
_refine_ls_wR_factor_ref         0.0742
_reflns_number_gt                4648
_reflns_number_total             5171
_reflns_threshold_expression     I>2σ(I)
_cod_duplicate_entry             4338611
_cod_data_source_file            ic900313b_si_002_2.cif
_cod_data_source_block           rem428_compound2
_cod_original_cell_volume        1482.6(2)
_cod_original_formula_sum        'C26.50 H51 Li N4 Zn'
_cod_database_code               4302350
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
Zn Zn -0.10573(2) -0.00691(2) 0.250091(12) 0.03459(9) Uani 1 1 d . . .
Li Li 0.2043(3) 0.3122(3) 0.28662(16) 0.0276(5) Uani 1 1 d . . .
C1 C -0.1309(2) -0.1858(2) 0.30343(14) 0.0509(5) Uani 1 1 d . . .
H1A H -0.1685 -0.1762 0.3534 0.076 Uiso 1 1 calc R . .
H1B H -0.0356 -0.2076 0.3182 0.076 Uiso 1 1 calc R . .
H1C H -0.2013 -0.2621 0.2650 0.076 Uiso 1 1 calc R . .
C2 C -0.2389(2) 0.0909(3) 0.18122(15) 0.0562(5) Uani 1 1 d . . .
H2A H -0.3122 0.0226 0.1393 0.084 Uiso 1 1 calc R . .
H2B H -0.1804 0.1644 0.1540 0.084 Uiso 1 1 calc R . .
H2C H -0.2894 0.1336 0.2166 0.084 Uiso 1 1 calc R . .
C3 C 0.21994(16) 0.02553(14) 0.27261(9) 0.0240(3) Uani 1 1 d . . .
C4 C 0.26947(17) 0.00313(15) 0.35656(9) 0.0254(3) Uani 1 1 d . . .
C5 C 0.38559(18) -0.05822(17) 0.37746(10) 0.0319(4) Uani 1 1 d . . .
H5 H 0.4190 -0.0719 0.4337 0.038 Uiso 1 1 calc R . .
C6 C 0.45403(18) -0.10006(17) 0.31871(11) 0.0343(4) Uani 1 1 d . . .
H6 H 0.5358 -0.1381 0.3346 0.041 Uiso 1 1 calc R . .
C7 C 0.40062(18) -0.08516(16) 0.23637(11) 0.0325(4) Uani 1 1 d . . .
H7 H 0.4448 -0.1165 0.1956 0.039 Uiso 1 1 calc R . .
C8 C 0.28431(17) -0.02574(15) 0.21175(10) 0.0277(3) Uani 1 1 d . . .
C9 C 0.20252(18) 0.05059(16) 0.42461(10) 0.0294(3) Uani 1 1 d . . .
H9 H 0.1033 0.0614 0.3980 0.035 Uiso 1 1 calc R . .
C10 C 0.1799(2) -0.05654(19) 0.48944(12) 0.0425(4) Uani 1 1 d . . .
H10A H 0.1215 -0.1488 0.4616 0.064 Uiso 1 1 calc R . .
H10B H 0.1278 -0.0251 0.5283 0.064 Uiso 1 1 calc R . .
H10C H 0.2762 -0.0639 0.5196 0.064 Uiso 1 1 calc R . .
C11 C 0.2960(2) 0.19383(17) 0.46847(10) 0.0362(4) Uani 1 1 d . . .
H11A H 0.3950 0.1870 0.4939 0.054 Uiso 1 1 calc R . .
H11B H 0.2494 0.2218 0.5113 0.054 Uiso 1 1 calc R . .
H11C H 0.3033 0.2643 0.4282 0.054 Uiso 1 1 calc R . .
C12 C 0.2259(2) -0.01379(18) 0.12020(10) 0.0364(4) Uani 1 1 d . . .
H12 H 0.2091 0.0817 0.1157 0.044 Uiso 1 1 calc R . .
C13 C 0.3333(3) -0.0256(3) 0.06512(13) 0.0673(7) Uani 1 1 d . . .
H13A H 0.4293 0.0419 0.0875 0.101 Uiso 1 1 calc R . .
H13B H 0.2941 -0.0049 0.0090 0.101 Uiso 1 1 calc R . .
H13C H 0.3450 -0.1213 0.0636 0.101 Uiso 1 1 calc R . .
C14 C 0.0753(2) -0.1222(2) 0.08773(12) 0.0505(5) Uani 1 1 d . . .
H14A H 0.0890 -0.2172 0.0858 0.076 Uiso 1 1 calc R . .
H14B H 0.0321 -0.1027 0.0321 0.076 Uiso 1 1 calc R . .
H14C H 0.0091 -0.1156 0.1247 0.076 Uiso 1 1 calc R . .
C15 C 0.1734(3) 0.5382(2) 0.41118(13) 0.0552(5) Uani 1 1 d . . .
H15A H 0.2479 0.6021 0.3876 0.083 Uiso 1 1 calc R . .
H15B H 0.2224 0.4992 0.4589 0.083 Uiso 1 1 calc R . .
H15C H 0.1088 0.5901 0.4288 0.083 Uiso 1 1 calc R . .
C16 C -0.0262(2) 0.3290(2) 0.38566(13) 0.0480(5) Uani 1 1 d . . .
H16A H 0.0234 0.2939 0.4348 0.072 Uiso 1 1 calc R . .
H16B H -0.0836 0.2495 0.3453 0.072 Uiso 1 1 calc R . .
H16C H -0.0924 0.3810 0.4013 0.072 Uiso 1 1 calc R . .
C17 C 0.0076(2) 0.4774(2) 0.27577(13) 0.0447(5) Uani 1 1 d . . .
H17A H -0.0404 0.5465 0.2945 0.054 Uiso 1 1 calc R . .
H17B H -0.0706 0.3985 0.2423 0.054 Uiso 1 1 calc R . .
C18 C 0.1116(2) 0.5466(2) 0.22264(12) 0.0434(4) Uani 1 1 d . . .
H18A H 0.0573 0.5885 0.1774 0.052 Uiso 1 1 calc R . .
H18B H 0.1920 0.6234 0.2565 0.052 Uiso 1 1 calc R . .
C19 C 0.0792(3) 0.3746(2) 0.10776(12) 0.0524(5) Uani 1 1 d . . .
H19A H 0.0729 0.4452 0.0681 0.079 Uiso 1 1 calc R . .
H19B H -0.0196 0.3295 0.1163 0.079 Uiso 1 1 calc R . .
H19C H 0.1202 0.3033 0.0862 0.079 Uiso 1 1 calc R . .
C20 C 0.3244(2) 0.5101(2) 0.17446(12) 0.0458(5) Uani 1 1 d . . .
H20A H 0.3241 0.5998 0.1495 0.055 Uiso 1 1 calc R . .
H20B H 0.3499 0.4479 0.1350 0.055 Uiso 1 1 calc R . .
C21 C 0.4399(2) 0.5393(2) 0.25280(13) 0.0461(5) Uani 1 1 d . . .
H21A H 0.5377 0.5781 0.2397 0.055 Uiso 1 1 calc R . .
H21B H 0.4220 0.6119 0.2891 0.055 Uiso 1 1 calc R . .
C22 C 0.5011(2) 0.3157(2) 0.25519(15) 0.0514(5) Uani 1 1 d . . .
H22A H 0.5985 0.3651 0.2463 0.077 Uiso 1 1 calc R . .
H22B H 0.4337 0.2798 0.2017 0.077 Uiso 1 1 calc R . .
H22C H 0.5098 0.2369 0.2884 0.077 Uiso 1 1 calc R . .
C23 C 0.5433(2) 0.4609(3) 0.37974(14) 0.0594(6) Uani 1 1 d . . .
H23A H 0.5519 0.3793 0.4104 0.089 Uiso 1 1 calc R . .
H23B H 0.5036 0.5228 0.4108 0.089 Uiso 1 1 calc R . .
H23C H 0.6409 0.5126 0.3722 0.089 Uiso 1 1 calc R . .
C24 C 0.7159(12) 0.5352(14) 0.0869(6) 0.1388(19) Uani 0.50 1 d PU A -1
H24A H 0.7526 0.6370 0.1018 0.208 Uiso 0.50 1 calc PR A -1
H24B H 0.7853 0.5031 0.0602 0.208 Uiso 0.50 1 calc PR A -1
H24C H 0.7066 0.4868 0.1370 0.208 Uiso 0.50 1 calc PR A -1
C25 C 0.5815(4) 0.5055(6) 0.0340(3) 0.0748(16) Uani 0.50 1 d PGU A -1
C26 C 0.5243(7) 0.6163(5) 0.0080(3) 0.081(2) Uani 0.50 1 d PGU A -1
H26 H 0.5774 0.7104 0.0284 0.097 Uiso 0.50 1 calc PR A -1
C27 C 0.3892(7) 0.5894(8) -0.0478(3) 0.101(2) Uani 0.50 1 d PGU A -1
H27 H 0.3501 0.6651 -0.0656 0.121 Uiso 0.50 1 calc PR A -1
C28 C 0.3115(5) 0.4517(10) -0.0777(3) 0.1388(19) Uani 0.50 1 d PGU A -1
H28 H 0.2192 0.4333 -0.1158 0.167 Uiso 0.50 1 calc PR A -1
C29 C 0.3687(6) 0.3409(7) -0.0516(3) 0.103(2) Uani 0.50 1 d PGU A -1
H29 H 0.3156 0.2468 -0.0720 0.124 Uiso 0.50 1 calc PR A -1
C30 C 0.5038(6) 0.3678(5) 0.0042(3) 0.097(2) Uani 0.50 1 d PGU A -1
H30 H 0.5429 0.2921 0.0220 0.117 Uiso 0.50 1 calc PR A -1
N1 N 0.11315(14) 0.10050(13) 0.25294(9) 0.0265(3) Uani 1 1 d . . .
H1 H 0.097(2) 0.1083(19) 0.2013(13) 0.033(5) Uiso 1 1 d . . .
N2 N 0.44338(15) 0.41284(14) 0.29857(9) 0.0341(3) Uani 1 1 d . . .
N3 N 0.17577(17) 0.44335(15) 0.18701(9) 0.0347(3) Uani 1 1 d . . .
N4 N 0.08524(17) 0.42343(14) 0.34873(9) 0.0346(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'
Li Li -0.0003 0.0001 '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'
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
_geom_angle_publ_flag
C1 Zn C2 136.04(9) . . ?
C1 Zn N1 114.55(7) . . ?
C2 Zn N1 108.97(7) . . ?
C17 Li N1 116.27(12) . . ?
C17 Li H1 109.7(5) . . ?
C17 Li N2 119.94(11) . . ?
C17 Li N3 58.43(8) . . ?
C17 Li N4 31.77(7) . . ?
N1 Li H1 21.6(5) . . ?
N1 Li N2 121.88(13) . . ?
N1 Li N3 114.24(13) . . ?
N1 Li N4 118.23(13) . . ?
H1 Li N2 118.5(5) . . ?
H1 Li N3 93.0(5) . . ?
H1 Li N4 124.4(5) . . ?
N2 Li N3 84.48(11) . . ?
N2 Li N4 116.94(12) . . ?
N3 Li N4 87.72(11) . . ?
Zn C1 H1A 109.5 . . ?
Zn C1 H1B 109.5 . . ?
Zn C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Zn C2 H2A 109.5 . . ?
Zn C2 H2B 109.5 . . ?
Zn C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 C8 118.33(14) . . ?
C4 C3 N1 119.12(13) . . ?
C8 C3 N1 122.52(14) . . ?
C3 C4 C5 119.34(14) . . ?
C3 C4 C9 121.35(14) . . ?
C5 C4 C9 119.25(14) . . ?
C4 C5 H5 119.0 . . ?
C4 C5 C6 122.06(15) . . ?
H5 C5 C6 119.0 . . ?
C5 C6 H6 120.7 . . ?
C5 C6 C7 118.59(15) . . ?
H6 C6 C7 120.7 . . ?
C6 C7 H7 119.1 . . ?
C6 C7 C8 121.87(15) . . ?
H7 C7 C8 119.1 . . ?
C3 C8 C7 119.57(15) . . ?
C3 C8 C12 119.91(14) . . ?
C7 C8 C12 120.51(14) . . ?
C4 C9 H9 107.6 . . ?
C4 C9 C10 113.12(13) . . ?
C4 C9 C11 111.52(13) . . ?
H9 C9 C10 107.6 . . ?
H9 C9 C11 107.6 . . ?
C10 C9 C11 109.10(14) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C12 H12 107.0 . . ?
C8 C12 C13 114.15(16) . . ?
C8 C12 C14 110.73(14) . . ?
H12 C12 C13 107.0 . . ?
H12 C12 C14 107.0 . . ?
C13 C12 C14 110.44(17) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15A C15 N4 109.5 . . ?
H15B C15 H15C 109.5 . . ?
H15B C15 N4 109.5 . . ?
H15C C15 N4 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16A C16 N4 109.5 . . ?
H16B C16 H16C 109.5 . . ?
H16B C16 N4 109.5 . . ?
H16C C16 N4 109.5 . . ?
Li C17 H17A 157.4 . . ?
Li C17 H17B 89.4 . . ?
Li C17 C18 77.01(11) . . ?
Li C17 N4 49.90(9) . . ?
H17A C17 H17B 107.9 . . ?
H17A C17 C18 109.2 . . ?
H17A C17 N4 109.2 . . ?
H17B C17 C18 109.2 . . ?
H17B C17 N4 109.2 . . ?
C18 C17 N4 111.96(16) . . ?
C17 C18 H18A 109.4 . . ?
C17 C18 H18B 109.4 . . ?
C17 C18 N3 111.03(15) . . ?
H18A C18 H18B 108.0 . . ?
H18A C18 N3 109.4 . . ?
H18B C18 N3 109.4 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19A C19 N3 109.5 . . ?
H19B C19 H19C 109.5 . . ?
H19B C19 N3 109.5 . . ?
H19C C19 N3 109.5 . . ?
H20A C20 H20B 107.8 . . ?
H20A C20 C21 109.0 . . ?
H20A C20 N3 109.0 . . ?
H20B C20 C21 109.0 . . ?
H20B C20 N3 109.0 . . ?
C21 C20 N3 112.87(15) . . ?
C20 C21 H21A 108.9 . . ?
C20 C21 H21B 108.9 . . ?
C20 C21 N2 113.58(15) . . ?
H21A C21 H21B 107.7 . . ?
H21A C21 N2 108.9 . . ?
H21B C21 N2 108.9 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22A C22 N2 109.5 . . ?
H22B C22 H22C 109.5 . . ?
H22B C22 N2 109.5 . . ?
H22C C22 N2 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23A C23 N2 109.5 . . ?
H23B C23 H23C 109.5 . . ?
H23B C23 N2 109.5 . . ?
H23C C23 N2 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24A C24 C25 109.5 . . ?
H24B C24 H24C 109.5 . . ?
H24B C24 C25 109.5 . . ?
H24C C24 C25 109.5 . . ?
C24 C25 C26 118.7(8) . . ?
C24 C25 C30 121.2(8) . . ?
C26 C25 C30 120.0 . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 120.0 . . ?
H26 C26 C27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C26 C27 C28 120.0 . . ?
H27 C27 C28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C27 C28 C29 120.0 . . ?
H28 C28 C29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 120.0 . . ?
H29 C29 C30 120.0 . . ?
C25 C30 C29 120.0 . . ?
C25 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
Zn N1 Li 124.71(10) . . ?
Zn N1 C3 117.36(9) . . ?
Zn N1 H1 93.8(13) . . ?
Li N1 C3 110.96(12) . . ?
Li N1 H1 95.2(13) . . ?
C3 N1 H1 108.4(13) . . ?
Li N2 C21 101.43(12) . . ?
Li N2 C22 106.95(12) . . ?
Li N2 C23 121.49(14) . . ?
C21 N2 C22 110.76(15) . . ?
C21 N2 C23 107.47(15) . . ?
C22 N2 C23 108.42(17) . . ?
Li N3 C18 101.74(12) . . ?
Li N3 C19 117.14(13) . . ?
Li N3 C20 106.32(13) . . ?
C18 N3 C19 110.20(16) . . ?
C18 N3 C20 111.64(14) . . ?
C19 N3 C20 109.58(15) . . ?
Li N4 C15 116.86(14) . . ?
Li N4 C16 112.88(13) . . ?
Li N4 C17 98.33(12) . . ?
C15 N4 C16 108.42(15) . . ?
C15 N4 C17 111.37(15) . . ?
C16 N4 C17 108.43(15) . . ?
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
Zn C1 1.984(2) . ?
Zn C2 1.999(2) . ?
Zn N1 2.0869(13) . ?
Li C17 2.780(3) . ?
Li N1 2.055(3) . ?
Li H1 2.294(19) . ?
Li N2 2.220(3) . ?
Li N3 2.152(3) . ?
Li N4 2.149(3) . ?
C1 H1A 0.980 . ?
C1 H1B 0.980 . ?
C1 H1C 0.980 . ?
C2 H2A 0.980 . ?
C2 H2B 0.980 . ?
C2 H2C 0.980 . ?
C3 C4 1.422(2) . ?
C3 C8 1.427(2) . ?
C3 N1 1.407(2) . ?
C4 C5 1.392(2) . ?
C4 C9 1.523(2) . ?
C5 H5 0.950 . ?
C5 C6 1.387(2) . ?
C6 H6 0.950 . ?
C6 C7 1.386(2) . ?
C7 H7 0.950 . ?
C7 C8 1.389(2) . ?
C8 C12 1.529(2) . ?
C9 H9 1.000 . ?
C9 C10 1.542(2) . ?
C9 C11 1.532(2) . ?
C10 H10A 0.980 . ?
C10 H10B 0.980 . ?
C10 H10C 0.980 . ?
C11 H11A 0.980 . ?
C11 H11B 0.980 . ?
C11 H11C 0.980 . ?
C12 H12 1.000 . ?
C12 C13 1.532(3) . ?
C12 C14 1.542(3) . ?
C13 H13A 0.980 . ?
C13 H13B 0.980 . ?
C13 H13C 0.980 . ?
C14 H14A 0.980 . ?
C14 H14B 0.980 . ?
C14 H14C 0.980 . ?
C15 H15A 0.980 . ?
C15 H15B 0.980 . ?
C15 H15C 0.980 . ?
C15 N4 1.464(2) . ?
C16 H16A 0.980 . ?
C16 H16B 0.980 . ?
C16 H16C 0.980 . ?
C16 N4 1.477(2) . ?
C17 H17A 0.990 . ?
C17 H17B 0.990 . ?
C17 C18 1.512(3) . ?
C17 N4 1.480(2) . ?
C18 H18A 0.990 . ?
C18 H18B 0.990 . ?
C18 N3 1.483(2) . ?
C19 H19A 0.980 . ?
C19 H19B 0.980 . ?
C19 H19C 0.980 . ?
C19 N3 1.474(2) . ?
C20 H20A 0.990 . ?
C20 H20B 0.990 . ?
C20 C21 1.493(3) . ?
C20 N3 1.470(2) . ?
C21 H21A 0.990 . ?
C21 H21B 0.990 . ?
C21 N2 1.487(2) . ?
C22 H22A 0.980 . ?
C22 H22B 0.980 . ?
C22 H22C 0.980 . ?
C22 N2 1.460(2) . ?
C23 H23A 0.980 . ?
C23 H23B 0.980 . ?
C23 H23C 0.980 . ?
C23 N2 1.469(2) . ?
C24 H24A 0.980 . ?
C24 H24B 0.980 . ?
C24 H24C 0.980 . ?
C24 C25 1.361(9) . ?
C25 C26 1.390 . ?
C25 C30 1.390 . ?
C26 H26 0.950 . ?
C26 C27 1.390 . ?
C27 H27 0.950 . ?
C27 C28 1.390 . ?
C28 H28 0.950 . ?
C28 C29 1.390 . ?
C29 H29 0.950 . ?
C29 C30 1.390 . ?
C30 H30 0.950 . ?
N1 H1 0.85(2) . ?
