#------------------------------------------------------------------------------
#$Date: 2016-03-21 09:51:33 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178629 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/40/4074069.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_4074069
loop_
_publ_author_name
'Kotov, Vasily V.'
'Wang, Cun'
'Kehr, Gerald'
'Fröhlich, Roland'
'Erker, Gerhard'
_publ_section_title
;
 Remarkable Dichotomy of Oligomeric Chain Structures of
 Dilithium(amidoalkyl-cyclopentadienide) Systems Li2[C5H4-CHR-NAr]
;
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              6258
_journal_paper_doi               10.1021/om700885g
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C25 H37 Li2 N O3'
_chemical_formula_weight         413.44
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 107.19(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.293(1)
_cell_length_b                   19.924(1)
_cell_length_c                   10.208(1)
_cell_measurement_reflns_used    4007
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      68.25
_cell_measurement_theta_min      0.88
_cell_volume                     2388.5(4)
_computing_cell_refinement       'Collect (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics
'XP (BrukerAXS, 2000) and SCHAKAL (Keller, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Nonius KappaCCD APEXII'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.041
_diffrn_reflns_av_sigmaI/netI    0.0233
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            16084
_diffrn_reflns_theta_full        68.17
_diffrn_reflns_theta_max         68.17
_diffrn_reflns_theta_min         3.76
_exptl_absorpt_coefficient_mu    0.564
_exptl_absorpt_correction_T_max  0.9202
_exptl_absorpt_correction_T_min  0.8270
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
'Denzo (Otwinowski, Borek, Majewski & Minor, 2003)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.150
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             896
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.363
_refine_diff_density_min         -0.299
_refine_diff_density_rms         0.038
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         4179
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0687
_refine_ls_R_factor_gt           0.0602
_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)+(0.0677P)²+1.3083P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1502
_refine_ls_wR_factor_ref         0.1581
_reflns_number_gt                3591
_reflns_number_total             4179
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om700885g-file002.cif
_cod_data_source_block           erk3449
_cod_original_cell_volume        2388.5(3)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4074069
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Li1 Li 0.8488(3) 0.12758(17) 0.1867(4) 0.0480(8) Uani 1 1 d .
Li2 Li 0.7192(3) 0.24208(17) 0.3084(3) 0.0464(8) Uani 1 1 d .
C1 C 0.71267(16) 0.17248(9) -0.02825(18) 0.0379(4) Uani 1 1 d .
C2 C 0.71609(18) 0.14318(10) -0.15245(19) 0.0445(5) Uani 1 1 d .
H2 H 0.6602 0.1146 -0.2076 0.053 Uiso 1 1 calc R
C3 C 0.81625(18) 0.16339(10) -0.1810(2) 0.0486(5) Uani 1 1 d .
H3 H 0.8387 0.1507 -0.2578 0.058 Uiso 1 1 calc R
C4 C 0.87623(17) 0.20541(11) -0.0757(2) 0.0471(5) Uani 1 1 d .
H4 H 0.9467 0.2258 -0.0685 0.057 Uiso 1 1 calc R
C5 C 0.81268(16) 0.21213(10) 0.01833(19) 0.0415(4) Uani 1 1 d .
H5 H 0.8331 0.2384 0.0983 0.050 Uiso 1 1 calc R
C6 C 0.62836(15) 0.15543(9) 0.05102(18) 0.0384(4) Uani 1 1 d .
H6 H 0.6052 0.1082 0.0286 0.046 Uiso 1 1 calc R
C7 C 0.51624(16) 0.19787(10) 0.01043(19) 0.0431(5) Uani 1 1 d .
C7A C 0.53992(18) 0.27295(11) 0.0212(2) 0.0490(5) Uani 1 1 d .
H7A1 H 0.5809 0.2856 -0.0430 0.073 Uiso 1 1 calc R
H7A2 H 0.5856 0.2838 0.1137 0.073 Uiso 1 1 calc R
H7A3 H 0.4684 0.2973 -0.0003 0.073 Uiso 1 1 calc R
C7B C 0.44767(18) 0.18113(13) -0.1369(2) 0.0572(6) Uani 1 1 d .
H7B1 H 0.3793 0.2084 -0.1635 0.086 Uiso 1 1 calc R
H7B2 H 0.4268 0.1340 -0.1431 0.086 Uiso 1 1 calc R
H7B3 H 0.4934 0.1903 -0.1977 0.086 Uiso 1 1 calc R
C7C C 0.44318(18) 0.17861(12) 0.1034(2) 0.0548(5) Uani 1 1 d .
H7C1 H 0.3739 0.2051 0.0787 0.082 Uiso 1 1 calc R
H7C2 H 0.4855 0.1873 0.1983 0.082 Uiso 1 1 calc R
H7C3 H 0.4240 0.1313 0.0918 0.082 Uiso 1 1 calc R
N1 N 0.68939(13) 0.15708(7) 0.19976(15) 0.0378(4) Uani 1 1 d .
C8 C 0.67967(16) 0.10194(9) 0.27820(19) 0.0398(4) Uani 1 1 d .
C9 C 0.6166(2) 0.04244(10) 0.2356(2) 0.0507(5) Uani 1 1 d .
H9 H 0.5710 0.0386 0.1440 0.061 Uiso 1 1 calc R
C10 C 0.6201(2) -0.01062(11) 0.3253(3) 0.0596(6) Uani 1 1 d .
H10 H 0.5774 -0.0495 0.2926 0.072 Uiso 1 1 calc R
C11 C 0.6843(2) -0.00753(11) 0.4603(2) 0.0586(6) Uani 1 1 d .
C12 C 0.7452(2) 0.05001(11) 0.5071(2) 0.0565(6) Uani 1 1 d .
H12 H 0.7885 0.0534 0.5997 0.068 Uiso 1 1 calc R
C13 C 0.74291(18) 0.10298(10) 0.4186(2) 0.0474(5) Uani 1 1 d .
H13 H 0.7856 0.1416 0.4535 0.057 Uiso 1 1 calc R
O1 O 0.69051(19) -0.06243(9) 0.5474(2) 0.0851(6) Uani 1 1 d .
C14 C 0.6249(3) -0.05796(15) 0.6327(3) 0.0886(10) Uani 1 1 d .
H14A H 0.6403 -0.0159 0.6827 0.133 Uiso 1 1 calc R
H14B H 0.6421 -0.0951 0.6970 0.133 Uiso 1 1 calc R
H14C H 0.5452 -0.0597 0.5796 0.133 Uiso 1 1 calc R
O2 O 0.99788(12) 0.14895(8) 0.31807(15) 0.0559(4) Uani 1 1 d .
C15 C 1.0870(2) 0.1698(2) 0.2690(3) 0.1064(13) Uani 1 1 d .
H15A H 1.0578 0.1987 0.1886 0.128 Uiso 1 1 calc R
H15B H 1.1241 0.1308 0.2421 0.128 Uiso 1 1 calc R
C16 C 1.1690(2) 0.20703(15) 0.3794(4) 0.0881(10) Uani 1 1 d .
H16A H 1.1541 0.2554 0.3706 0.106 Uiso 1 1 calc R
H16B H 1.2473 0.1986 0.3783 0.106 Uiso 1 1 calc R
C17 C 1.1498(2) 0.18007(16) 0.5079(3) 0.0833(9) Uani 1 1 d .
H17A H 1.2174 0.1564 0.5640 0.100 Uiso 1 1 calc R
H17B H 1.1311 0.2163 0.5625 0.100 Uiso 1 1 calc R
C18 C 1.0523(2) 0.13331(18) 0.4580(3) 0.0860(9) Uani 1 1 d .
H18A H 1.0793 0.0868 0.4668 0.103 Uiso 1 1 calc R
H18B H 0.9988 0.1387 0.5119 0.103 Uiso 1 1 calc R
O3 O 0.87295(14) 0.03452(7) 0.13913(16) 0.0603(4) Uani 1 1 d .
C19 C 0.9154(3) -0.01378(13) 0.2460(3) 0.0769(8) Uani 1 1 d .
H19A H 0.8825 -0.0060 0.3212 0.092 Uiso 1 1 calc R
H19B H 0.9985 -0.0105 0.2823 0.092 Uiso 1 1 calc R
C20 C 0.8817(3) -0.08110(14) 0.1838(3) 0.0855(9) Uani 1 1 d .
H20A H 0.9426 -0.1139 0.2197 0.103 Uiso 1 1 calc R
H20B H 0.8124 -0.0970 0.2027 0.103 Uiso 1 1 calc R
C21 C 0.8616(3) -0.07075(14) 0.0358(3) 0.0870(9) Uani 1 1 d .
H21A H 0.8041 -0.1021 -0.0179 0.104 Uiso 1 1 calc R
H21B H 0.9320 -0.0764 0.0106 0.104 Uiso 1 1 calc R
C22 C 0.8202(3) -0.00046(14) 0.0142(3) 0.0819(8) Uani 1 1 d .
H22A H 0.8416 0.0199 -0.0621 0.098 Uiso 1 1 calc R
H22B H 0.7372 0.0010 -0.0069 0.098 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 0.0181 0.0091 '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 0.0008 0.0003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
O3 Li1 O2 101.21(17) . .
O3 Li1 N1 119.70(18) . .
O2 Li1 N1 126.66(19) . .
O3 Li1 C5 120.38(18) . .
O2 Li1 C5 106.21(16) . .
N1 Li1 C5 82.36(13) . .
O3 Li1 C1 103.43(15) . .
O2 Li1 C1 140.07(18) . .
N1 Li1 C1 63.74(11) . .
C5 Li1 C1 33.86(8) . .
O3 Li1 C8 95.73(15) . .
O2 Li1 C8 119.00(17) . .
N1 Li1 C8 32.56(8) . .
C5 Li1 C8 114.17(15) . .
C1 Li1 C8 89.22(12) . .
O3 Li1 C6 105.58(15) . .
O2 Li1 C6 153.02(18) . .
N1 Li1 C6 32.82(7) . .
C5 Li1 C6 62.36(10) . .
C1 Li1 C6 33.83(7) . .
C8 Li1 C6 55.42(9) . .
O3 Li1 Li2 152.85(17) . .
O2 Li1 Li2 92.91(14) . .
N1 Li1 Li2 36.72(9) . .
C5 Li1 Li2 76.55(12) . .
C1 Li1 Li2 78.84(12) . .
C8 Li1 Li2 57.13(10) . .
C6 Li1 Li2 61.33(10) . .
N1 Li2 C4 133.42(19) . 4_566
N1 Li2 C3 139.12(19) . 4_566
C4 Li2 C3 36.63(10) 4_566 4_566
N1 Li2 C5 144.34(19) . 4_566
C4 Li2 C5 36.44(9) 4_566 4_566
C3 Li2 C5 60.23(11) 4_566 4_566
N1 Li2 C2 156.94(19) . 4_566
C4 Li2 C2 59.84(11) 4_566 4_566
C3 Li2 C2 35.98(9) 4_566 4_566
C5 Li2 C2 58.56(10) 4_566 4_566
N1 Li2 C1 161.46(19) . 4_566
C4 Li2 C1 59.68(10) 4_566 4_566
C3 Li2 C1 59.41(11) 4_566 4_566
C5 Li2 C1 35.07(8) 4_566 4_566
C2 Li2 C1 34.62(8) 4_566 4_566
N1 Li2 Li1 38.67(10) . .
C4 Li2 Li1 95.06(14) 4_566 .
C3 Li2 Li1 107.43(15) 4_566 .
C5 Li2 Li1 118.08(15) 4_566 .
C2 Li2 Li1 142.71(16) 4_566 .
C1 Li2 Li1 152.68(16) 4_566 .
C2 C1 C5 106.20(17) . .
C2 C1 C6 126.13(17) . .
C5 C1 C6 126.97(16) . .
C2 C1 Li2 69.65(13) . 4_565
C5 C1 Li2 68.58(13) . 4_565
C6 C1 Li2 133.78(15) . 4_565
C2 C1 Li1 116.86(15) . .
C5 C1 Li1 67.43(13) . .
C6 C1 Li1 80.72(13) . .
Li2 C1 Li1 135.43(14) 4_565 .
C3 C2 C1 109.21(18) . .
C3 C2 Li2 67.81(14) . 4_565
C1 C2 Li2 75.73(14) . 4_565
C4 C3 C2 108.05(18) . .
C4 C3 Li2 71.38(15) . 4_565
C2 C3 Li2 76.21(15) . 4_565
C3 C4 C5 108.00(18) . .
C3 C4 Li2 71.99(15) . 4_565
C5 C4 Li2 75.38(14) . 4_565
C4 C5 C1 108.54(17) . .
C4 C5 Li2 68.18(14) . 4_565
C1 C5 Li2 76.35(14) . 4_565
C4 C5 Li1 113.94(16) . .
C1 C5 Li1 78.71(13) . .
Li2 C5 Li1 154.02(15) 4_565 .
N1 C6 C1 108.67(14) . .
N1 C6 C7 113.51(15) . .
C1 C6 C7 114.92(15) . .
N1 C6 Li1 49.78(11) . .
C1 C6 Li1 65.44(12) . .
C7 C6 Li1 156.21(14) . .
C7A C7 C7B 108.88(18) . .
C7A C7 C7C 109.60(17) . .
C7B C7 C7C 107.49(17) . .
C7A C7 C6 112.16(16) . .
C7B C7 C6 109.22(16) . .
C7C C7 C6 109.37(16) . .
C8 N1 C6 118.08(14) . .
C8 N1 Li2 112.62(15) . .
C6 N1 Li2 122.79(15) . .
C8 N1 Li1 93.25(14) . .
C6 N1 Li1 97.40(14) . .
Li2 N1 Li1 104.62(15) . .
N1 C8 C9 128.36(17) . .
N1 C8 C13 117.30(17) . .
C9 C8 C13 114.31(17) . .
N1 C8 Li1 54.19(12) . .
C9 C8 Li1 118.96(15) . .
C13 C8 Li1 95.97(15) . .
C10 C9 C8 121.9(2) . .
C11 C10 C9 121.6(2) . .
C10 C11 C12 118.64(19) . .
C10 C11 O1 120.7(2) . .
C12 C11 O1 120.6(2) . .
C11 C12 C13 120.3(2) . .
C12 C13 C8 123.3(2) . .
C14 O1 C11 115.28(19) . .
C15 O2 C18 103.87(19) . .
C15 O2 Li1 119.38(18) . .
C18 O2 Li1 134.69(18) . .
O2 C15 C16 108.0(3) . .
C15 C16 C17 103.9(2) . .
C18 C17 C16 104.1(2) . .
O2 C18 C17 107.5(2) . .
C22 O3 C19 108.60(19) . .
C22 O3 Li1 128.30(17) . .
C19 O3 Li1 119.64(17) . .
O3 C19 C20 106.7(2) . .
C21 C20 C19 104.6(2) . .
C20 C21 C22 103.4(2) . .
O3 C22 C21 106.4(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Li1 O3 1.961(4) .
Li1 O2 1.971(4) .
Li1 N1 2.088(4) .
Li1 C5 2.353(4) .
Li1 C1 2.499(4) .
Li1 C8 2.570(4) .
Li1 C6 2.711(4) .
Li1 Li2 3.233(5) .
Li2 N1 1.998(4) .
Li2 C4 2.207(4) 4_566
Li2 C3 2.215(4) 4_566
Li2 C5 2.300(4) 4_566
Li2 C2 2.323(4) 4_566
Li2 C1 2.401(4) 4_566
C1 C2 1.408(3) .
C1 C5 1.420(3) .
C1 C6 1.530(3) .
C1 Li2 2.401(4) 4_565
C2 C3 1.405(3) .
C2 Li2 2.323(4) 4_565
C3 C4 1.389(3) .
C3 Li2 2.215(4) 4_565
C4 C5 1.412(3) .
C4 Li2 2.207(4) 4_565
C5 Li2 2.300(4) 4_565
C6 N1 1.482(2) .
C6 C7 1.565(3) .
C7 C7A 1.522(3) .
C7 C7B 1.528(3) .
C7 C7C 1.535(3) .
N1 C8 1.385(2) .
C8 C9 1.413(3) .
C8 C13 1.414(3) .
C9 C10 1.391(3) .
C10 C11 1.372(3) .
C11 C12 1.376(3) .
C11 O1 1.398(3) .
C12 C13 1.385(3) .
O1 C14 1.354(3) .
O2 C15 1.396(3) .
O2 C18 1.421(3) .
C15 C16 1.471(4) .
C16 C17 1.500(4) .
C17 C18 1.484(4) .
O3 C22 1.430(3) .
O3 C19 1.433(3) .
C19 C20 1.490(4) .
C20 C21 1.471(4) .
C21 C22 1.484(4) .
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_4
O3 Li1 Li2 N1 -37.0(4) . .
O2 Li1 Li2 N1 -158.7(2) . .
C5 Li1 Li2 N1 95.28(16) . .
C1 Li1 Li2 N1 60.67(13) . .
C8 Li1 Li2 N1 -35.70(11) . .
C6 Li1 Li2 N1 29.67(10) . .
O3 Li1 Li2 C4 136.6(4) . 4_566
O2 Li1 Li2 C4 14.85(16) . 4_566
N1 Li1 Li2 C4 173.6(2) . 4_566
C5 Li1 Li2 C4 -91.13(14) . 4_566
C1 Li1 Li2 C4 -125.74(14) . 4_566
C8 Li1 Li2 C4 137.89(15) . 4_566
C6 Li1 Li2 C4 -156.74(15) . 4_566
O3 Li1 Li2 C3 171.8(3) . 4_566
O2 Li1 Li2 C3 50.10(17) . 4_566
N1 Li1 Li2 C3 -151.2(2) . 4_566
C5 Li1 Li2 C3 -55.88(15) . 4_566
C1 Li1 Li2 C3 -90.49(15) . 4_566
C8 Li1 Li2 C3 173.14(17) . 4_566
C6 Li1 Li2 C3 -121.49(15) . 4_566
O3 Li1 Li2 C5 106.8(4) . 4_566
O2 Li1 Li2 C5 -14.9(2) . 4_566
N1 Li1 Li2 C5 143.8(2) . 4_566
C5 Li1 Li2 C5 -120.89(16) . 4_566
C1 Li1 Li2 C5 -155.50(16) . 4_566
C8 Li1 Li2 C5 108.12(17) . 4_566
C6 Li1 Li2 C5 173.49(18) . 4_566
O3 Li1 Li2 C2 -179.2(3) . 4_566
O2 Li1 Li2 C2 59.1(3) . 4_566
N1 Li1 Li2 C2 -142.2(3) . 4_566
C5 Li1 Li2 C2 -46.9(3) . 4_566
C1 Li1 Li2 C2 -81.5(3) . 4_566
C8 Li1 Li2 C2 -177.9(3) . 4_566
C6 Li1 Li2 C2 -112.5(3) . 4_566
O3 Li1 Li2 C1 115.5(4) . 4_566
O2 Li1 Li2 C1 -6.2(4) . 4_566
N1 Li1 Li2 C1 152.5(4) . 4_566
C5 Li1 Li2 C1 -112.2(3) . 4_566
C1 Li1 Li2 C1 -146.8(3) . 4_566
C8 Li1 Li2 C1 116.8(3) . 4_566
C6 Li1 Li2 C1 -177.8(3) . 4_566
O3 Li1 C1 C2 -27.9(2) . .
O2 Li1 C1 C2 98.7(3) . .
N1 Li1 C1 C2 -144.67(17) . .
C5 Li1 C1 C2 97.36(19) . .
C8 Li1 C1 C2 -123.62(16) . .
C6 Li1 C1 C2 -125.9(2) . .
Li2 Li1 C1 C2 179.79(16) . .
O3 Li1 C1 C5 -125.27(19) . .
O2 Li1 C1 C5 1.4(3) . .
N1 Li1 C1 C5 117.97(15) . .
C8 Li1 C1 C5 139.03(16) . .
C6 Li1 C1 C5 136.70(17) . .
Li2 Li1 C1 C5 82.44(14) . .
O3 Li1 C1 C6 98.03(16) . .
O2 Li1 C1 C6 -135.3(3) . .
N1 Li1 C1 C6 -18.73(11) . .
C5 Li1 C1 C6 -136.70(17) . .
C8 Li1 C1 C6 2.33(12) . .
Li2 Li1 C1 C6 -54.26(12) . .
O3 Li1 C1 Li2 -115.5(2) . 4_565
O2 Li1 C1 Li2 11.1(4) . 4_565
N1 Li1 C1 Li2 127.70(19) . 4_565
C5 Li1 C1 Li2 9.73(19) . 4_565
C8 Li1 C1 Li2 148.75(17) . 4_565
C6 Li1 C1 Li2 146.4(2) . 4_565
Li2 Li1 C1 Li2 92.16(16) . 4_565
C5 C1 C2 C3 0.8(2) . .
C6 C1 C2 C3 -170.08(17) . .
Li2 C1 C2 C3 59.91(16) 4_565 .
Li1 C1 C2 C3 -71.7(2) . .
C5 C1 C2 Li2 -59.11(16) . 4_565
C6 C1 C2 Li2 130.0(2) . 4_565
Li1 C1 C2 Li2 -131.60(16) . 4_565
C1 C2 C3 C4 -0.1(2) . .
Li2 C2 C3 C4 64.80(16) 4_565 .
C1 C2 C3 Li2 -64.91(16) . 4_565
C2 C3 C4 C5 -0.6(2) . .
Li2 C3 C4 C5 67.38(17) 4_565 .
C2 C3 C4 Li2 -68.02(17) . 4_565
C3 C4 C5 C1 1.1(2) . .
Li2 C4 C5 C1 66.27(16) 4_565 .
C3 C4 C5 Li2 -65.12(17) . 4_565
C3 C4 C5 Li1 86.73(19) . .
Li2 C4 C5 Li1 151.85(17) 4_565 .
C2 C1 C5 C4 -1.2(2) . .
C6 C1 C5 C4 169.59(17) . .
Li2 C1 C5 C4 -61.00(16) 4_565 .
Li1 C1 C5 C4 111.69(17) . .
C2 C1 C5 Li2 59.80(16) . 4_565
C6 C1 C5 Li2 -129.4(2) . 4_565
Li1 C1 C5 Li2 172.68(14) . 4_565
C2 C1 C5 Li1 -112.88(16) . .
C6 C1 C5 Li1 57.9(2) . .
Li2 C1 C5 Li1 -172.68(14) 4_565 .
O3 Li1 C5 C4 -38.4(3) . .
O2 Li1 C5 C4 75.5(2) . .
N1 Li1 C5 C4 -158.48(16) . .
C1 Li1 C5 C4 -105.4(2) . .
C8 Li1 C5 C4 -151.37(17) . .
C6 Li1 C5 C4 -130.96(17) . .
Li2 Li1 C5 C4 164.61(16) . .
O3 Li1 C5 C1 67.0(2) . .
O2 Li1 C5 C1 -179.09(19) . .
N1 Li1 C5 C1 -53.05(13) . .
C8 Li1 C5 C1 -45.94(17) . .
C6 Li1 C5 C1 -25.54(10) . .
Li2 Li1 C5 C1 -89.97(13) . .
O3 Li1 C5 Li2 50.6(4) . 4_565
O2 Li1 C5 Li2 164.5(3) . 4_565
N1 Li1 C5 Li2 -69.5(4) . 4_565
C1 Li1 C5 Li2 -16.4(3) . 4_565
C8 Li1 C5 Li2 -62.4(4) . 4_565
C6 Li1 C5 Li2 -41.9(3) . 4_565
Li2 Li1 C5 Li2 -106.4(4) . 4_565
C2 C1 C6 N1 141.94(18) . .
C5 C1 C6 N1 -27.1(2) . .
Li2 C1 C6 N1 -122.13(19) 4_565 .
Li1 C1 C6 N1 25.35(15) . .
C2 C1 C6 C7 -89.6(2) . .
C5 C1 C6 C7 101.3(2) . .
Li2 C1 C6 C7 6.3(3) 4_565 .
Li1 C1 C6 C7 153.77(16) . .
C2 C1 C6 Li1 116.6(2) . .
C5 C1 C6 Li1 -52.43(19) . .
Li2 C1 C6 Li1 -147.5(2) 4_565 .
O3 Li1 C6 N1 121.11(19) . .
O2 Li1 C6 N1 -51.9(4) . .
C5 Li1 C6 N1 -122.36(16) . .
C1 Li1 C6 N1 -147.91(18) . .
C8 Li1 C6 N1 34.92(11) . .
Li2 Li1 C6 N1 -33.09(12) . .
O3 Li1 C6 C1 -90.98(17) . .
O2 Li1 C6 C1 96.0(4) . .
N1 Li1 C6 C1 147.91(18) . .
C5 Li1 C6 C1 25.56(11) . .
C8 Li1 C6 C1 -177.17(15) . .
Li2 Li1 C6 C1 114.82(14) . .
O3 Li1 C6 C7 172.6(3) . .
O2 Li1 C6 C7 -0.4(7) . .
N1 Li1 C6 C7 51.5(4) . .
C5 Li1 C6 C7 -70.9(4) . .
C1 Li1 C6 C7 -96.4(4) . .
C8 Li1 C6 C7 86.4(4) . .
Li2 Li1 C6 C7 18.4(4) . .
N1 C6 C7 C7A 71.2(2) . .
C1 C6 C7 C7A -54.8(2) . .
Li1 C6 C7 C7A 30.5(4) . .
N1 C6 C7 C7B -168.04(16) . .
C1 C6 C7 C7B 66.0(2) . .
Li1 C6 C7 C7B 151.3(3) . .
N1 C6 C7 C7C -50.7(2) . .
C1 C6 C7 C7C -176.61(16) . .
Li1 C6 C7 C7C -91.3(4) . .
C1 C6 N1 C8 -128.37(17) . .
C7 C6 N1 C8 102.43(19) . .
Li1 C6 N1 C8 -97.70(18) . .
C1 C6 N1 Li2 82.1(2) . .
C7 C6 N1 Li2 -47.1(2) . .
Li1 C6 N1 Li2 112.7(2) . .
C1 C6 N1 Li1 -30.66(17) . .
C7 C6 N1 Li1 -159.87(16) . .
C4 Li2 N1 C8 91.1(3) 4_566 .
C3 Li2 N1 C8 144.6(3) 4_566 .
C5 Li2 N1 C8 36.6(4) 4_566 .
C2 Li2 N1 C8 -151.7(4) 4_566 .
C1 Li2 N1 C8 -38.3(6) 4_566 .
Li1 Li2 N1 C8 99.91(18) . .
C4 Li2 N1 C6 -117.9(2) 4_566 .
C3 Li2 N1 C6 -64.4(3) 4_566 .
C5 Li2 N1 C6 -172.3(3) 4_566 .
C2 Li2 N1 C6 -0.7(6) 4_566 .
C1 Li2 N1 C6 112.7(6) 4_566 .
Li1 Li2 N1 C6 -109.05(19) . .
C4 Li2 N1 Li1 -8.8(3) 4_566 .
C3 Li2 N1 Li1 44.7(3) 4_566 .
C5 Li2 N1 Li1 -63.3(3) 4_566 .
C2 Li2 N1 Li1 108.4(5) 4_566 .
C1 Li2 N1 Li1 -138.2(6) 4_566 .
O3 Li1 N1 C8 47.2(2) . .
O2 Li1 N1 C8 -87.5(2) . .
C5 Li1 N1 C8 167.89(13) . .
C1 Li1 N1 C8 138.12(13) . .
C6 Li1 N1 C8 118.87(15) . .
Li2 Li1 N1 C8 -114.39(16) . .
O3 Li1 N1 C6 -71.7(2) . .
O2 Li1 N1 C6 153.6(2) . .
C5 Li1 N1 C6 49.03(13) . .
C1 Li1 N1 C6 19.26(11) . .
C8 Li1 N1 C6 -118.87(15) . .
Li2 Li1 N1 C6 126.75(16) . .
O3 Li1 N1 Li2 161.55(19) . .
O2 Li1 N1 Li2 26.8(3) . .
C5 Li1 N1 Li2 -77.72(15) . .
C1 Li1 N1 Li2 -107.49(13) . .
C8 Li1 N1 Li2 114.39(16) . .
C6 Li1 N1 Li2 -126.75(16) . .
C6 N1 C8 C9 -0.8(3) . .
Li2 N1 C8 C9 151.7(2) . .
Li1 N1 C8 C9 -101.0(2) . .
C6 N1 C8 C13 176.98(17) . .
Li2 N1 C8 C13 -30.5(2) . .
Li1 N1 C8 C13 76.82(19) . .
C6 N1 C8 Li1 100.16(18) . .
Li2 N1 C8 Li1 -107.31(18) . .
O3 Li1 C8 N1 -140.20(18) . .
O2 Li1 C8 N1 113.6(2) . .
C5 Li1 C8 N1 -13.17(14) . .
C1 Li1 C8 N1 -36.78(12) . .
C6 Li1 C8 N1 -35.20(10) . .
Li2 Li1 C8 N1 40.42(12) . .
O3 Li1 C8 C9 -21.8(2) . .
O2 Li1 C8 C9 -128.0(2) . .
N1 Li1 C8 C9 118.4(2) . .
C5 Li1 C8 C9 105.2(2) . .
C1 Li1 C8 C9 81.61(18) . .
C6 Li1 C8 C9 83.18(17) . .
Li2 Li1 C8 C9 158.80(19) . .
O3 Li1 C8 C13 100.26(16) . .
O2 Li1 C8 C13 -5.9(2) . .
N1 Li1 C8 C13 -119.55(17) . .
C5 Li1 C8 C13 -132.72(17) . .
C1 Li1 C8 C13 -156.33(14) . .
C6 Li1 C8 C13 -154.75(14) . .
Li2 Li1 C8 C13 -79.13(14) . .
N1 C8 C9 C10 176.3(2) . .
C13 C8 C9 C10 -1.5(3) . .
Li1 C8 C9 C10 110.8(2) . .
C8 C9 C10 C11 0.6(3) . .
C9 C10 C11 C12 0.8(3) . .
C9 C10 C11 O1 -177.3(2) . .
C10 C11 C12 C13 -1.2(3) . .
O1 C11 C12 C13 176.9(2) . .
C11 C12 C13 C8 0.2(3) . .
N1 C8 C13 C12 -176.95(19) . .
C9 C8 C13 C12 1.2(3) . .
Li1 C8 C13 C12 -124.4(2) . .
C10 C11 O1 C14 -101.5(3) . .
C12 C11 O1 C14 80.4(3) . .
O3 Li1 O2 C15 83.6(3) . .
N1 Li1 O2 C15 -135.4(3) . .
C5 Li1 O2 C15 -42.8(3) . .
C1 Li1 O2 C15 -43.6(4) . .
C8 Li1 O2 C15 -173.3(3) . .
C6 Li1 O2 C15 -103.3(4) . .
Li2 Li1 O2 C15 -119.7(3) . .
O3 Li1 O2 C18 -77.1(3) . .
N1 Li1 O2 C18 63.9(4) . .
C5 Li1 O2 C18 156.4(3) . .
C1 Li1 O2 C18 155.7(3) . .
C8 Li1 O2 C18 26.0(4) . .
C6 Li1 O2 C18 96.0(5) . .
Li2 Li1 O2 C18 79.6(3) . .
C18 O2 C15 C16 -36.2(4) . .
Li1 O2 C15 C16 157.8(2) . .
O2 C15 C16 C17 24.8(4) . .
C15 C16 C17 C18 -4.0(3) . .
C15 O2 C18 C17 33.2(3) . .
Li1 O2 C18 C17 -164.1(2) . .
C16 C17 C18 O2 -17.6(3) . .
O2 Li1 O3 C22 -151.6(2) . .
N1 Li1 O3 C22 64.0(3) . .
C5 Li1 O3 C22 -35.1(3) . .
C1 Li1 O3 C22 -3.2(3) . .
C8 Li1 O3 C22 87.3(3) . .
C6 Li1 O3 C22 31.7(3) . .
Li2 Li1 O3 C22 88.5(4) . .
O2 Li1 O3 C19 52.0(3) . .
N1 Li1 O3 C19 -92.5(3) . .
C5 Li1 O3 C19 168.5(2) . .
C1 Li1 O3 C19 -159.7(2) . .
C8 Li1 O3 C19 -69.1(2) . .
C6 Li1 O3 C19 -124.8(2) . .
Li2 Li1 O3 C19 -68.0(4) . .
C22 O3 C19 C20 -2.8(3) . .
Li1 O3 C19 C20 157.9(2) . .
O3 C19 C20 C21 21.6(3) . .
C19 C20 C21 C22 -31.2(4) . .
C19 O3 C22 C21 -17.1(3) . .
Li1 O3 C22 C21 -175.6(2) . .
C20 C21 C22 O3 30.1(4) . .
