#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:49:44 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179308 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/05/4320598.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_4320598
loop_
_publ_author_name
'Brian A. Jazdzewski'
'Patrick L. Holland'
'Maren Pink'
'Victor G. Young'
'Douglas J. E. Spencer'
'William B. Tolman'
_publ_section_title
;
 Three-Coordinate Copper(II)-Phenolate Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6097
_journal_page_last               6107
_journal_paper_doi               10.1021/ic010615c
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C33 H50 Cl Li N2 O'
_chemical_formula_weight         533.14
_chemical_name_common            00062
_chemical_name_systematic        'Li(Me2Ac-Cl) Et2O'
_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                90.25(3)
_cell_angle_beta                 98.44(3)
_cell_angle_gamma                116.42(3)
_cell_formula_units_Z            2
_cell_length_a                   11.001(2)
_cell_length_b                   11.486(2)
_cell_length_c                   14.182(3)
_cell_measurement_reflns_used    7878
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.55
_cell_measurement_theta_min      1.0
_cell_volume                     1582.5(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_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  0.0298
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16263
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    0.147
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8968
_exptl_absorpt_correction_type   'SADABS (Sheldrick, 1996)'
_exptl_absorpt_process_details   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.119
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             580
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.266
_refine_diff_density_min         -0.232
_refine_diff_density_rms         0.041
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.946
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         7077
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.946
_refine_ls_R_factor_all          0.0575
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.170
_refine_ls_shift/su_mean         0.029
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0923P)²+0.2921P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1282
_refine_ls_wR_factor_ref         0.1384
_reflns_number_gt                5643
_reflns_number_total             7077
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010615c_1.cif
_cod_data_source_block           00062
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        1582.7(5)
_cod_database_code               4320598
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
N1 N 0.30346(12) 0.21219(11) 0.20854(8) 0.0254(3) Uani 1 1 d . . .
N2 N 0.56641(12) 0.42444(11) 0.26149(8) 0.0246(2) Uani 1 1 d . . .
O1 O 0.56242(13) 0.11882(13) 0.28342(11) 0.0581(4) Uani 1 1 d . . .
Li1 Li 0.4860(3) 0.2382(2) 0.2559(2) 0.0356(6) Uani 1 1 d . A .
Cl1 Cl 0.27958(4) 0.54556(3) 0.20967(3) 0.03301(12) Uani 1 1 d . . .
C1 C 0.11340(15) 0.26584(15) 0.15375(12) 0.0346(3) Uani 1 1 d . . .
H1A H 0.0641 0.1717 0.1364 0.052 Uiso 1 1 calc R . .
H1B H 0.1103 0.3127 0.0966 0.052 Uiso 1 1 calc R . .
H1C H 0.0698 0.2890 0.2012 0.052 Uiso 1 1 calc R . .
C2 C 0.26166(14) 0.30291(13) 0.19554(9) 0.0243(3) Uani 1 1 d . . .
C3 C 0.35458(14) 0.43667(13) 0.21939(9) 0.0237(3) Uani 1 1 d . . .
C4 C 0.49961(14) 0.49575(13) 0.24724(9) 0.0233(3) Uani 1 1 d . . .
C5 C 0.57671(15) 0.64328(14) 0.25791(10) 0.0288(3) Uani 1 1 d . . .
H5A H 0.6760 0.6706 0.2676 0.043 Uiso 1 1 calc R . .
H5B H 0.5537 0.6762 0.3131 0.043 Uiso 1 1 calc R . .
H5C H 0.5503 0.6784 0.1999 0.043 Uiso 1 1 calc R . .
C6 C 0.21843(14) 0.07853(13) 0.17612(10) 0.0254(3) Uani 1 1 d . . .
C7 C 0.14329(15) -0.01072(14) 0.23871(10) 0.0297(3) Uani 1 1 d . . .
C8 C 0.08673(17) -0.14392(15) 0.21248(11) 0.0360(4) Uani 1 1 d . . .
H8 H 0.0374 -0.2048 0.2547 0.043 Uiso 1 1 calc R . .
C9 C 0.10107(18) -0.18908(15) 0.12636(12) 0.0376(4) Uani 1 1 d . . .
H9 H 0.0655 -0.2801 0.1109 0.045 Uiso 1 1 calc R . .
C10 C 0.16751(17) -0.10109(15) 0.06292(11) 0.0335(3) Uani 1 1 d . . .
H10 H 0.1736 -0.1326 0.0026 0.040 Uiso 1 1 calc R . .
C11 C 0.22567(15) 0.03286(14) 0.08559(10) 0.0271(3) Uani 1 1 d . . .
C12 C 0.12656(17) 0.03680(16) 0.33388(10) 0.0345(3) Uani 1 1 d . . .
H12 H 0.1437 0.1296 0.3296 0.041 Uiso 1 1 calc R . .
C13 C -0.0183(2) -0.0406(2) 0.35595(14) 0.0590(6) Uani 1 1 d . . .
H13A H -0.0249 -0.0061 0.4173 0.089 Uiso 1 1 calc R . .
H13B H -0.0386 -0.1325 0.3595 0.089 Uiso 1 1 calc R . .
H13C H -0.0847 -0.0332 0.3052 0.089 Uiso 1 1 calc R . .
C14 C 0.2321(2) 0.0337(2) 0.41534(13) 0.0563(5) Uani 1 1 d . . .
H14A H 0.3250 0.0851 0.4009 0.084 Uiso 1 1 calc R . .
H14B H 0.2158 -0.0566 0.4226 0.084 Uiso 1 1 calc R . .
H14C H 0.2233 0.0708 0.4749 0.084 Uiso 1 1 calc R . .
C15 C 0.29722(16) 0.12639(14) 0.01338(10) 0.0299(3) Uani 1 1 d . . .
H15 H 0.3265 0.2173 0.0403 0.036 Uiso 1 1 calc R . .
C16 C 0.19813(18) 0.10208(18) -0.08069(11) 0.0418(4) Uani 1 1 d . . .
H16A H 0.2460 0.1631 -0.1262 0.063 Uiso 1 1 calc R . .
H16B H 0.1194 0.1152 -0.0687 0.063 Uiso 1 1 calc R . .
H16C H 0.1656 0.0124 -0.1073 0.063 Uiso 1 1 calc R . .
C17 C 0.42535(18) 0.11594(19) -0.00510(13) 0.0436(4) Uani 1 1 d . . .
H17A H 0.4687 0.1774 -0.0517 0.065 Uiso 1 1 calc R . .
H17B H 0.3992 0.0270 -0.0303 0.065 Uiso 1 1 calc R . .
H17C H 0.4904 0.1367 0.0549 0.065 Uiso 1 1 calc R . .
C18 C 0.71194(14) 0.48198(13) 0.28841(10) 0.0244(3) Uani 1 1 d . . .
C19 C 0.79204(15) 0.47765(13) 0.22044(10) 0.0268(3) Uani 1 1 d . . .
C20 C 0.93173(16) 0.51664(15) 0.25076(11) 0.0335(3) Uani 1 1 d . . .
H20 H 0.9864 0.5126 0.2060 0.040 Uiso 1 1 calc R . .
C21 C 0.99243(16) 0.56117(16) 0.34472(12) 0.0374(4) Uani 1 1 d . . .
H21 H 1.0880 0.5877 0.3640 0.045 Uiso 1 1 calc R . .
C22 C 0.91377(16) 0.56695(15) 0.41054(11) 0.0352(3) Uani 1 1 d . . .
H22 H 0.9566 0.5989 0.4747 0.042 Uiso 1 1 calc R . .
C23 C 0.77318(15) 0.52701(14) 0.38477(10) 0.0285(3) Uani 1 1 d . . .
C24 C 0.72505(16) 0.43017(15) 0.11653(10) 0.0318(3) Uani 1 1 d . . .
H24 H 0.6338 0.3534 0.1171 0.038 Uiso 1 1 calc R . .
C25 C 0.8072(2) 0.3851(2) 0.06020(13) 0.0470(4) Uani 1 1 d . . .
H25A H 0.8241 0.3179 0.0936 0.070 Uiso 1 1 calc R . .
H25B H 0.8953 0.4595 0.0549 0.070 Uiso 1 1 calc R . .
H25C H 0.7547 0.3492 -0.0039 0.070 Uiso 1 1 calc R . .
C26 C 0.69776(19) 0.53430(18) 0.06337(11) 0.0408(4) Uani 1 1 d . . .
H26A H 0.6545 0.5007 -0.0029 0.061 Uiso 1 1 calc R . .
H26B H 0.7850 0.6127 0.0640 0.061 Uiso 1 1 calc R . .
H26C H 0.6363 0.5561 0.0950 0.061 Uiso 1 1 calc R . .
C27 C 0.68565(17) 0.52376(16) 0.45916(10) 0.0339(3) Uani 1 1 d . . .
H27 H 0.6064 0.5369 0.4261 0.041 Uiso 1 1 calc R . .
C28 C 0.7625(2) 0.6313(2) 0.54062(13) 0.0550(5) Uani 1 1 d . . .
H28A H 0.7003 0.6245 0.5855 0.082 Uiso 1 1 calc R . .
H28B H 0.7949 0.7167 0.5143 0.082 Uiso 1 1 calc R . .
H28C H 0.8415 0.6214 0.5741 0.082 Uiso 1 1 calc R . .
C29 C 0.62649(19) 0.39036(18) 0.50046(12) 0.0441(4) Uani 1 1 d . . .
H29A H 0.5702 0.3902 0.5480 0.066 Uiso 1 1 calc R . .
H29B H 0.7020 0.3729 0.5309 0.066 Uiso 1 1 calc R . .
H29C H 0.5694 0.3226 0.4489 0.066 Uiso 1 1 calc R . .
C30A C 0.6967(4) 0.1701(3) 0.3472(3) 0.0370(7) Uani 0.50 1 d P A 1
H30A H 0.6874 0.1238 0.4065 0.044 Uiso 0.50 1 calc PR A 1
H30B H 0.7312 0.2642 0.3649 0.044 Uiso 0.50 1 calc PR A 1
C31A C 0.7970(5) 0.1486(5) 0.2934(5) 0.0719(14) Uani 0.50 1 d P A 1
H31A H 0.8874 0.1819 0.3342 0.108 Uiso 0.50 1 calc PR A 1
H31B H 0.8056 0.1949 0.2349 0.108 Uiso 0.50 1 calc PR A 1
H31C H 0.7621 0.0551 0.2765 0.108 Uiso 0.50 1 calc PR A 1
C30B C 0.7069(5) 0.1403(4) 0.2656(3) 0.0560(10) Uani 0.50 1 d P A 2
H30C H 0.7075 0.0567 0.2491 0.067 Uiso 0.50 1 calc PR A 2
H30D H 0.7383 0.1995 0.2143 0.067 Uiso 0.50 1 calc PR A 2
C31B C 0.7917(6) 0.2004(5) 0.3595(4) 0.0673(12) Uani 0.50 1 d P A 2
H31D H 0.8874 0.2194 0.3577 0.101 Uiso 0.50 1 calc PR A 2
H31E H 0.7570 0.1401 0.4088 0.101 Uiso 0.50 1 calc PR A 2
H31F H 0.7871 0.2815 0.3745 0.101 Uiso 0.50 1 calc PR A 2
C32 C 0.4813(2) -0.02054(18) 0.26584(14) 0.0469(4) Uani 1 1 d . A .
H32A H 0.5165 -0.0521 0.2162 0.056 Uiso 1 1 calc R . .
H32B H 0.3850 -0.0398 0.2402 0.056 Uiso 1 1 calc R . .
C33 C 0.4821(2) -0.0938(2) 0.35191(15) 0.0570(5) Uani 1 1 d . . .
H33A H 0.4250 -0.1873 0.3346 0.086 Uiso 1 1 calc R A .
H33B H 0.4452 -0.0649 0.4010 0.086 Uiso 1 1 calc R . .
H33C H 0.5767 -0.0774 0.3769 0.086 Uiso 1 1 calc R . .
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'
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
C2 N1 C6 122.93(12) . . ?
C2 N1 Li1 126.91(12) . . ?
C6 N1 Li1 109.68(12) . . ?
C4 N2 C18 121.86(12) . . ?
C4 N2 Li1 126.42(12) . . ?
C18 N2 Li1 111.65(12) . . ?
C32 O1 C30A 118.67(17) . . ?
C32 O1 C30B 102.8(2) . . ?
C30A O1 C30B 48.2(2) . . ?
C32 O1 Li1 122.49(13) . . ?
C30A O1 Li1 116.83(18) . . ?
C30B O1 Li1 125.12(19) . . ?
N1 Li1 N2 95.04(13) . . ?
N1 Li1 O1 132.27(15) . . ?
N2 Li1 O1 132.65(15) . . ?
N1 C2 C3 120.86(12) . . ?
N1 C2 C1 120.22(13) . . ?
C3 C2 C1 118.93(13) . . ?
C4 C3 C2 128.95(12) . . ?
C4 C3 Cl1 115.47(10) . . ?
C2 C3 Cl1 115.56(10) . . ?
N2 C4 C3 121.07(12) . . ?
N2 C4 C5 120.69(12) . . ?
C3 C4 C5 118.22(12) . . ?
C7 C6 C11 119.95(13) . . ?
C7 C6 N1 120.38(12) . . ?
C11 C6 N1 119.04(12) . . ?
C8 C7 C6 118.73(14) . . ?
C8 C7 C12 120.42(14) . . ?
C6 C7 C12 120.84(13) . . ?
C9 C8 C7 121.30(14) . . ?
C8 C9 C10 119.59(14) . . ?
C9 C10 C11 121.32(14) . . ?
C10 C11 C6 118.84(13) . . ?
C10 C11 C15 119.61(13) . . ?
C6 C11 C15 121.55(13) . . ?
C7 C12 C13 112.18(14) . . ?
C7 C12 C14 111.26(15) . . ?
C13 C12 C14 110.19(16) . . ?
C11 C15 C17 111.74(13) . . ?
C11 C15 C16 110.66(13) . . ?
C17 C15 C16 110.11(13) . . ?
C19 C18 C23 120.55(13) . . ?
C19 C18 N2 118.74(12) . . ?
C23 C18 N2 120.19(13) . . ?
C20 C19 C18 118.53(13) . . ?
C20 C19 C24 121.42(13) . . ?
C18 C19 C24 120.05(13) . . ?
C21 C20 C19 121.26(15) . . ?
C22 C21 C20 119.87(14) . . ?
C21 C22 C23 121.42(15) . . ?
C22 C23 C18 118.35(14) . . ?
C22 C23 C27 120.98(13) . . ?
C18 C23 C27 120.56(13) . . ?
C19 C24 C25 113.90(13) . . ?
C19 C24 C26 111.53(13) . . ?
C25 C24 C26 109.15(13) . . ?
C23 C27 C28 113.52(15) . . ?
C23 C27 C29 110.77(13) . . ?
C28 C27 C29 109.66(14) . . ?
O1 C30A C31A 107.7(4) . . ?
C31B C30B O1 101.3(4) . . ?
O1 C32 C33 114.06(16) . . ?
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
N1 C2 1.3170(18) . ?
N1 C6 1.4259(18) . ?
N1 Li1 1.909(3) . ?
N2 C4 1.3211(18) . ?
N2 C18 1.4222(18) . ?
N2 Li1 1.913(3) . ?
O1 C32 1.443(2) . ?
O1 C30A 1.476(4) . ?
O1 C30B 1.556(5) . ?
O1 Li1 1.916(3) . ?
Cl1 C3 1.7750(14) . ?
C1 C2 1.513(2) . ?
C2 C3 1.420(2) . ?
C3 C4 1.418(2) . ?
C4 C5 1.5149(19) . ?
C6 C7 1.411(2) . ?
C6 C11 1.4111(19) . ?
C7 C8 1.395(2) . ?
C7 C12 1.520(2) . ?
C8 C9 1.382(2) . ?
C9 C10 1.382(2) . ?
C10 C11 1.393(2) . ?
C11 C15 1.522(2) . ?
C12 C13 1.522(3) . ?
C12 C14 1.525(2) . ?
C15 C17 1.526(2) . ?
C15 C16 1.531(2) . ?
C18 C19 1.413(2) . ?
C18 C23 1.415(2) . ?
C19 C20 1.393(2) . ?
C19 C24 1.526(2) . ?
C20 C21 1.383(2) . ?
C21 C22 1.383(2) . ?
C22 C23 1.392(2) . ?
C23 C27 1.519(2) . ?
C24 C25 1.532(2) . ?
C24 C26 1.533(2) . ?
C27 C28 1.532(2) . ?
C27 C29 1.532(2) . ?
C30A C31A 1.533(6) . ?
C30B C31B 1.475(7) . ?
C32 C33 1.487(3) . ?
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
C2 N1 Li1 N2 -4.8(2) . . . . ?
C6 N1 Li1 N2 167.46(11) . . . . ?
C2 N1 Li1 O1 177.32(17) . . . . ?
C6 N1 Li1 O1 -10.4(3) . . . . ?
C4 N2 Li1 N1 7.63(19) . . . . ?
C18 N2 Li1 N1 -175.40(11) . . . . ?
C4 N2 Li1 O1 -174.49(17) . . . . ?
C18 N2 Li1 O1 2.5(3) . . . . ?
C32 O1 Li1 N1 2.6(3) . . . . ?
C30A O1 Li1 N1 -161.0(2) . . . . ?
C30B O1 Li1 N1 142.9(3) . . . . ?
C32 O1 Li1 N2 -174.51(18) . . . . ?
C30A O1 Li1 N2 21.9(3) . . . . ?
C30B O1 Li1 N2 -34.3(4) . . . . ?
C6 N1 C2 C3 -172.85(12) . . . . ?
Li1 N1 C2 C3 -1.6(2) . . . . ?
C6 N1 C2 C1 6.5(2) . . . . ?
Li1 N1 C2 C1 177.77(14) . . . . ?
N1 C2 C3 C4 8.4(2) . . . . ?
C1 C2 C3 C4 -170.98(13) . . . . ?
N1 C2 C3 Cl1 -173.66(10) . . . . ?
C1 C2 C3 Cl1 6.99(16) . . . . ?
C18 N2 C4 C3 179.30(12) . . . . ?
Li1 N2 C4 C3 -4.0(2) . . . . ?
C18 N2 C4 C5 0.82(19) . . . . ?
Li1 N2 C4 C5 177.50(14) . . . . ?
C2 C3 C4 N2 -5.4(2) . . . . ?
Cl1 C3 C4 N2 176.62(10) . . . . ?
C2 C3 C4 C5 173.10(13) . . . . ?
Cl1 C3 C4 C5 -4.86(15) . . . . ?
C2 N1 C6 C7 -95.73(17) . . . . ?
Li1 N1 C6 C7 91.66(16) . . . . ?
C2 N1 C6 C11 93.34(17) . . . . ?
Li1 N1 C6 C11 -79.27(16) . . . . ?
C11 C6 C7 C8 5.2(2) . . . . ?
N1 C6 C7 C8 -165.68(14) . . . . ?
C11 C6 C7 C12 -176.11(14) . . . . ?
N1 C6 C7 C12 13.1(2) . . . . ?
C6 C7 C8 C9 -1.1(2) . . . . ?
C12 C7 C8 C9 -179.85(15) . . . . ?
C7 C8 C9 C10 -2.8(3) . . . . ?
C8 C9 C10 C11 2.7(3) . . . . ?
C9 C10 C11 C6 1.3(2) . . . . ?
C9 C10 C11 C15 -179.66(15) . . . . ?
C7 C6 C11 C10 -5.3(2) . . . . ?
N1 C6 C11 C10 165.70(13) . . . . ?
C7 C6 C11 C15 175.71(13) . . . . ?
N1 C6 C11 C15 -13.3(2) . . . . ?
C8 C7 C12 C13 -42.3(2) . . . . ?
C6 C7 C12 C13 138.95(17) . . . . ?
C8 C7 C12 C14 81.6(2) . . . . ?
C6 C7 C12 C14 -97.09(18) . . . . ?
C10 C11 C15 C17 -64.95(18) . . . . ?
C6 C11 C15 C17 114.06(16) . . . . ?
C10 C11 C15 C16 58.14(19) . . . . ?
C6 C11 C15 C16 -122.85(16) . . . . ?
C4 N2 C18 C19 -108.08(15) . . . . ?
Li1 N2 C18 C19 74.79(16) . . . . ?
C4 N2 C18 C23 80.13(17) . . . . ?
Li1 N2 C18 C23 -97.00(16) . . . . ?
C23 C18 C19 C20 1.0(2) . . . . ?
N2 C18 C19 C20 -170.74(13) . . . . ?
C23 C18 C19 C24 -179.38(12) . . . . ?
N2 C18 C19 C24 8.86(19) . . . . ?
C18 C19 C20 C21 -1.2(2) . . . . ?
C24 C19 C20 C21 179.17(14) . . . . ?
C19 C20 C21 C22 0.3(2) . . . . ?
C20 C21 C22 C23 0.9(2) . . . . ?
C21 C22 C23 C18 -1.1(2) . . . . ?
C21 C22 C23 C27 175.17(14) . . . . ?
C19 C18 C23 C22 0.1(2) . . . . ?
N2 C18 C23 C22 171.76(13) . . . . ?
C19 C18 C23 C27 -176.16(13) . . . . ?
N2 C18 C23 C27 -4.5(2) . . . . ?
C20 C19 C24 C25 20.1(2) . . . . ?
C18 C19 C24 C25 -159.53(14) . . . . ?
C20 C19 C24 C26 -104.04(16) . . . . ?
C18 C19 C24 C26 76.37(17) . . . . ?
C22 C23 C27 C28 33.4(2) . . . . ?
C18 C23 C27 C28 -150.46(15) . . . . ?
C22 C23 C27 C29 -90.53(18) . . . . ?
C18 C23 C27 C29 85.66(17) . . . . ?
C32 O1 C30A C31A 72.8(3) . . . . ?
C30B O1 C30A C31A -8.5(3) . . . . ?
Li1 O1 C30A C31A -122.9(3) . . . . ?
C32 O1 C30B C31B -120.1(3) . . . . ?
C30A O1 C30B C31B -2.9(3) . . . . ?
Li1 O1 C30B C31B 93.5(3) . . . . ?
C30A O1 C32 C33 40.5(3) . . . . ?
C30B O1 C32 C33 89.6(2) . . . . ?
Li1 O1 C32 C33 -122.87(19) . . . . ?
