# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               'Dalton Trans.'
_journal_coden_Cambridge         0222

_publ_contact_author_name        'Robert Davies'
_publ_contact_author_email       R.DAVIES@IMPERIAL.AC.UK

_publ_section_title              
;
The Influence of Tetrahydrofuran on the Structures and
Reactivities of Lithium Organo-Amidocuprates
;
loop_
_publ_author_name
'Robert Davies'
'Roberta Bomparola'
'Stefan Hornauer'
'Andrew J P White'

# Attachment '9.cif'

data_Complex_1
_database_code_depnum_ccdc_archive 'CCDC 706813'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H47 Cu Li N O3'
_chemical_formula_sum            'C30 H47 Cu Li N O3'
_chemical_formula_weight         540.17

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.63755(17)
_cell_length_b                   18.1879(3)
_cell_length_c                   19.0128(3)
_cell_angle_alpha                90
_cell_angle_beta                 92.4171(17)
_cell_angle_gamma                90
_cell_volume                     2984.23(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    20211
_cell_measurement_theta_min      3.8336
_cell_measurement_theta_max      32.6216

_exptl_crystal_description       blocks
_exptl_crystal_colour            Colourless
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1160
_exptl_absorpt_coefficient_mu    0.760
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.90203
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May 8 2007,13:10:02)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
It was clear from the indexing of the diffraction images, and from the
images themselves, that the crystal of 1 used for the experiment contained
at least two separate components. Various different approaches to the
handling of this twinning were attempted, with the best results coming
from the simplest approach of just using the diffraction peaks from the
major component. It is the presence of this twinning in the crystal
studied that we believe is responsible for the high residual electron
density peaks around the copper centre.
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'OD Xcalibur 3'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean 15.9863
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            28212
_diffrn_reflns_av_R_equivalents  0.0231
_diffrn_reflns_av_sigmaI/netI    0.0177
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         3.84
_diffrn_reflns_theta_max         32.68
_reflns_number_total             10080
_reflns_number_gt                8565
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd'
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0125P)^2^+17.1386P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10080
_refine_ls_number_parameters     328
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0973
_refine_ls_R_factor_gt           0.0865
_refine_ls_wR_factor_ref         0.2157
_refine_ls_wR_factor_gt          0.2125
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_restrained_S_all      1.144
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Cu Cu 0.46138(6) 0.75203(3) 0.10740(3) 0.02897(12) Uani 1 1 d . . .
Li Li 0.7224(8) 0.7583(4) 0.2295(4) 0.0333(14) Uani 1 1 d . . .
N1 N 0.6258(4) 0.6952(2) 0.15047(18) 0.0301(7) Uani 1 1 d . . .
C2 C 0.7517(5) 0.6814(3) 0.1020(2) 0.0387(10) Uani 1 1 d . . .
H2A H 0.8301 0.6493 0.1260 0.046 Uiso 1 1 calc R . .
H2B H 0.8026 0.7287 0.0918 0.046 Uiso 1 1 calc R . .
C3 C 0.6996(5) 0.6455(3) 0.0324(2) 0.0345(8) Uani 1 1 d . . .
C4 C 0.6249(5) 0.6861(3) -0.0209(2) 0.0372(9) Uani 1 1 d . . .
H4A H 0.6141 0.7377 -0.0150 0.045 Uiso 1 1 calc R . .
C5 C 0.5658(6) 0.6543(3) -0.0822(2) 0.0440(11) Uani 1 1 d . . .
H5A H 0.5159 0.6839 -0.1175 0.053 Uiso 1 1 calc R . .
C6 C 0.5791(7) 0.5801(3) -0.0922(3) 0.0544(14) Uani 1 1 d . . .
H6A H 0.5355 0.5577 -0.1336 0.065 Uiso 1 1 calc R . .
C7 C 0.6560(9) 0.5385(3) -0.0418(3) 0.0652(17) Uani 1 1 d . . .
H7A H 0.6692 0.4872 -0.0491 0.078 Uiso 1 1 calc R . .
C8 C 0.7147(7) 0.5708(3) 0.0199(3) 0.0538(14) Uani 1 1 d . . .
H8A H 0.7666 0.5409 0.0545 0.065 Uiso 1 1 calc R . .
C9 C 0.5685(6) 0.6253(2) 0.1769(2) 0.0374(9) Uani 1 1 d . . .
H9A H 0.6562 0.5973 0.1988 0.045 Uiso 1 1 calc R . .
H9B H 0.5245 0.5960 0.1370 0.045 Uiso 1 1 calc R . .
C10 C 0.4459(6) 0.6360(3) 0.2305(3) 0.0432(10) Uani 1 1 d . . .
H10A H 0.4109 0.5879 0.2469 0.065 Uiso 1 1 calc R . .
H10B H 0.3578 0.6628 0.2088 0.065 Uiso 1 1 calc R . .
H10C H 0.4895 0.6642 0.2706 0.065 Uiso 1 1 calc R . .
C11 C 0.2871(4) 0.7960(2) 0.0589(2) 0.0275(7) Uani 1 1 d . . .
C12 C 0.2646(5) 0.8712(2) 0.0423(2) 0.0294(7) Uani 1 1 d . . .
C13 C 0.1341(5) 0.8966(2) 0.0038(2) 0.0316(8) Uani 1 1 d . . .
H13A H 0.1237 0.9477 -0.0056 0.038 Uiso 1 1 calc R . .
C14 C 0.0198(5) 0.8489(2) -0.0210(2) 0.0318(8) Uani 1 1 d . . .
C15 C 0.0387(5) 0.7743(2) -0.0064(2) 0.0314(8) Uani 1 1 d . . .
H15A H -0.0381 0.7405 -0.0231 0.038 Uiso 1 1 calc R . .
C16 C 0.1677(5) 0.7484(2) 0.0324(2) 0.0306(7) Uani 1 1 d . . .
C17 C 0.3877(5) 0.9267(2) 0.0668(3) 0.0391(10) Uani 1 1 d . . .
H17A H 0.3597 0.9755 0.0486 0.059 Uiso 1 1 calc R . .
H17B H 0.4882 0.9121 0.0491 0.059 Uiso 1 1 calc R . .
H17C H 0.3945 0.9281 0.1183 0.059 Uiso 1 1 calc R . .
C18 C -0.1217(5) 0.8762(3) -0.0623(3) 0.0435(11) Uani 1 1 d . . .
H18A H -0.1607 0.8373 -0.0941 0.065 Uiso 1 1 calc R . .
H18B H -0.0942 0.9194 -0.0900 0.065 Uiso 1 1 calc R . .
H18C H -0.2021 0.8896 -0.0298 0.065 Uiso 1 1 calc R . .
C19 C 0.1804(6) 0.6661(3) 0.0461(3) 0.0419(10) Uani 1 1 d . . .
H19A H 0.0902 0.6411 0.0242 0.063 Uiso 1 1 calc R . .
H19B H 0.1843 0.6570 0.0969 0.063 Uiso 1 1 calc R . .
H19C H 0.2751 0.6472 0.0259 0.063 Uiso 1 1 calc R . .
O20 O 0.8715(3) 0.70776(18) 0.29609(16) 0.0366(7) Uani 1 1 d . . .
C21 C 0.8202(5) 0.6688(3) 0.3576(2) 0.0395(10) Uani 1 1 d . . .
H21A H 0.7190 0.6448 0.3470 0.047 Uiso 1 1 calc R . .
H21B H 0.8087 0.7033 0.3973 0.047 Uiso 1 1 calc R . .
C22 C 0.9415(6) 0.6120(3) 0.3764(3) 0.0450(11) Uani 1 1 d . . .
H22A H 0.8943 0.5661 0.3933 0.054 Uiso 1 1 calc R . .
H22B H 1.0172 0.6306 0.4127 0.054 Uiso 1 1 calc R . .
C23 C 1.0172(6) 0.6002(3) 0.3059(3) 0.0517(13) Uani 1 1 d . . .
H23A H 1.1245 0.5816 0.3129 0.062 Uiso 1 1 calc R . .
H23B H 0.9566 0.5653 0.2757 0.062 Uiso 1 1 calc R . .
C24 C 1.0152(6) 0.6758(3) 0.2749(3) 0.0438(11) Uani 1 1 d . . .
H24A H 1.1049 0.7049 0.2934 0.053 Uiso 1 1 calc R . .
H24B H 1.0183 0.6736 0.2229 0.053 Uiso 1 1 calc R . .
O25 O 0.8550(4) 0.8371(2) 0.19536(18) 0.0426(8) Uani 1 1 d . . .
C26 C 1.0173(5) 0.8520(3) 0.2004(3) 0.0375(9) Uani 1 1 d . . .
H26A H 1.0715 0.8256 0.1631 0.045 Uiso 1 1 calc R . .
H26B H 1.0623 0.8366 0.2468 0.045 Uiso 1 1 calc R . .
C27 C 1.0315(6) 0.9347(3) 0.1910(3) 0.0474(12) Uani 1 1 d . . .
H27A H 1.0555 0.9591 0.2367 0.057 Uiso 1 1 calc R . .
H27B H 1.1140 0.9467 0.1583 0.057 Uiso 1 1 calc R . .
C28 C 0.8778(8) 0.9581(4) 0.1614(5) 0.079(2) Uani 1 1 d . . .
H28A H 0.8270 0.9915 0.1945 0.094 Uiso 1 1 calc R . .
H28B H 0.8889 0.9843 0.1163 0.094 Uiso 1 1 calc R . .
C29 C 0.7866(7) 0.8918(4) 0.1505(4) 0.072(2) Uani 1 1 d . . .
H29A H 0.6778 0.9006 0.1626 0.087 Uiso 1 1 calc R . .
H29B H 0.7882 0.8761 0.1007 0.087 Uiso 1 1 calc R . .
O30 O 0.5857(4) 0.8117(2) 0.29252(17) 0.0401(7) Uani 1 1 d . . .
C31 C 0.6538(6) 0.8603(3) 0.3444(3) 0.0502(12) Uani 1 1 d . . .
H31A H 0.7532 0.8801 0.3284 0.060 Uiso 1 1 calc R . .
H31B H 0.6737 0.8340 0.3894 0.060 Uiso 1 1 calc R . .
C32 C 0.5388(9) 0.9220(4) 0.3536(4) 0.079(2) Uani 1 1 d . . .
H32A H 0.4912 0.9186 0.4000 0.094 Uiso 1 1 calc R . .
H32B H 0.5898 0.9705 0.3499 0.094 Uiso 1 1 calc R . .
C33 C 0.4188(7) 0.9113(3) 0.2947(3) 0.0541(14) Uani 1 1 d . . .
H33A H 0.3148 0.9268 0.3089 0.065 Uiso 1 1 calc R . .
H33B H 0.4459 0.9391 0.2521 0.065 Uiso 1 1 calc R . .
C34 C 0.4250(5) 0.8299(3) 0.2822(3) 0.0440(11) Uani 1 1 d . . .
H34A H 0.3616 0.8032 0.3161 0.053 Uiso 1 1 calc R . .
H34B H 0.3870 0.8177 0.2338 0.053 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Cu 0.0281(2) 0.0311(2) 0.0275(2) 0.00228(19) -0.00164(16) -0.0012(2)
Li 0.028(3) 0.035(4) 0.036(4) 0.002(3) -0.003(3) 0.002(3)
N1 0.0259(15) 0.0337(17) 0.0304(16) 0.0025(13) -0.0001(12) -0.0008(13)
C2 0.0256(18) 0.052(3) 0.038(2) -0.0047(19) -0.0028(16) 0.0009(18)
C3 0.0314(19) 0.041(2) 0.0313(19) -0.0017(17) 0.0025(15) 0.0017(17)
C4 0.041(2) 0.036(2) 0.035(2) 0.0016(17) 0.0077(17) -0.0001(18)
C5 0.041(2) 0.059(3) 0.032(2) 0.003(2) -0.0014(18) -0.002(2)
C6 0.070(4) 0.056(3) 0.036(2) -0.009(2) -0.001(2) -0.010(3)
C7 0.100(5) 0.039(3) 0.057(3) -0.008(2) 0.001(3) 0.010(3)
C8 0.071(4) 0.045(3) 0.045(3) 0.001(2) -0.002(3) 0.019(3)
C9 0.043(2) 0.031(2) 0.038(2) 0.0048(17) -0.0010(18) 0.0035(17)
C10 0.044(2) 0.042(2) 0.043(2) 0.012(2) 0.007(2) -0.005(2)
C11 0.0245(16) 0.0330(18) 0.0251(16) -0.0011(14) 0.0016(13) 0.0008(14)
C12 0.0286(17) 0.0316(18) 0.0282(17) -0.0022(14) 0.0024(14) -0.0028(14)
C13 0.0308(18) 0.0332(19) 0.0307(18) 0.0011(15) 0.0009(15) 0.0025(15)
C14 0.0283(18) 0.039(2) 0.0284(18) 0.0024(15) -0.0005(14) 0.0042(16)
C15 0.0271(17) 0.037(2) 0.0299(18) -0.0007(15) 0.0002(14) -0.0051(15)
C16 0.0304(18) 0.0321(18) 0.0294(17) 0.0004(15) 0.0022(14) -0.0012(16)
C17 0.037(2) 0.032(2) 0.047(2) 0.0003(18) -0.0115(19) -0.0041(17)
C18 0.034(2) 0.051(3) 0.044(2) 0.002(2) -0.0066(19) 0.004(2)
C19 0.044(2) 0.035(2) 0.046(3) 0.0044(19) -0.003(2) -0.0042(19)
O20 0.0307(14) 0.0449(17) 0.0344(15) 0.0108(13) 0.0034(12) 0.0094(13)
C21 0.035(2) 0.047(3) 0.037(2) 0.0075(19) 0.0037(17) 0.0066(19)
C22 0.037(2) 0.047(3) 0.051(3) 0.014(2) -0.002(2) 0.006(2)
C23 0.042(3) 0.043(3) 0.070(4) -0.002(3) 0.005(2) 0.009(2)
C24 0.035(2) 0.054(3) 0.043(2) 0.007(2) 0.0076(19) 0.012(2)
O25 0.0310(15) 0.0493(19) 0.0468(18) 0.0155(15) -0.0045(13) -0.0110(14)
C26 0.0271(18) 0.040(2) 0.045(2) 0.0030(19) 0.0030(17) -0.0033(17)
C27 0.050(3) 0.041(3) 0.050(3) 0.000(2) -0.006(2) -0.010(2)
C28 0.062(4) 0.050(3) 0.123(7) 0.026(4) -0.016(4) 0.001(3)
C29 0.045(3) 0.090(5) 0.080(4) 0.049(4) -0.021(3) -0.016(3)
O30 0.0293(14) 0.0511(19) 0.0397(17) -0.0106(14) -0.0023(12) 0.0030(14)
C31 0.046(3) 0.061(3) 0.043(3) -0.009(2) -0.010(2) -0.004(2)
C32 0.082(5) 0.069(4) 0.081(5) -0.033(4) -0.038(4) 0.022(4)
C33 0.054(3) 0.055(3) 0.053(3) -0.004(3) -0.009(2) 0.014(3)
C34 0.029(2) 0.055(3) 0.047(3) -0.012(2) -0.0019(18) 0.001(2)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Cu C11 1.907(4) . ?
Cu N1 1.912(3) . ?
Li O25 1.962(8) . ?
Li O30 1.972(8) . ?
Li O20 1.992(8) . ?
Li N1 2.041(8) . ?
N1 C9 1.462(5) . ?
N1 C2 1.477(5) . ?
C2 C3 1.525(6) . ?
C3 C8 1.387(7) . ?
C3 C4 1.392(6) . ?
C4 C5 1.380(7) . ?
C5 C6 1.367(8) . ?
C6 C7 1.371(9) . ?
C7 C8 1.390(8) . ?
C9 C10 1.513(7) . ?
C11 C12 1.415(6) . ?
C11 C16 1.422(5) . ?
C12 C13 1.397(6) . ?
C12 C17 1.524(6) . ?
C13 C14 1.382(6) . ?
C14 C15 1.393(6) . ?
C14 C18 1.509(6) . ?
C15 C16 1.392(6) . ?
C16 C19 1.523(6) . ?
O20 C24 1.444(5) . ?
O20 C21 1.453(5) . ?
C21 C22 1.503(6) . ?
C22 C23 1.531(8) . ?
C23 C24 1.496(7) . ?
O25 C29 1.423(6) . ?
O25 C26 1.427(5) . ?
C26 C27 1.521(7) . ?
C27 C28 1.483(8) . ?
C28 C29 1.450(9) . ?
O30 C31 1.432(6) . ?
O30 C34 1.433(5) . ?
C31 C32 1.514(8) . ?
C32 C33 1.507(8) . ?
C33 C34 1.500(8) . ?

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
C11 Cu N1 171.98(16) . . ?
O25 Li O30 102.4(4) . . ?
O25 Li O20 100.2(3) . . ?
O30 Li O20 103.2(4) . . ?
O25 Li N1 113.1(4) . . ?
O30 Li N1 119.2(4) . . ?
O20 Li N1 116.2(4) . . ?
C9 N1 C2 109.6(4) . . ?
C9 N1 Cu 111.2(3) . . ?
C2 N1 Cu 112.2(3) . . ?
C9 N1 Li 111.7(3) . . ?
C2 N1 Li 105.5(3) . . ?
Cu N1 Li 106.5(3) . . ?
N1 C2 C3 114.6(3) . . ?
C8 C3 C4 116.1(4) . . ?
C8 C3 C2 122.8(4) . . ?
C4 C3 C2 121.1(4) . . ?
C5 C4 C3 122.4(5) . . ?
C6 C5 C4 120.1(5) . . ?
C5 C6 C7 119.3(5) . . ?
C6 C7 C8 120.3(5) . . ?
C3 C8 C7 121.7(5) . . ?
N1 C9 C10 112.1(4) . . ?
C12 C11 C16 114.7(3) . . ?
C12 C11 Cu 127.7(3) . . ?
C16 C11 Cu 117.5(3) . . ?
C13 C12 C11 122.4(4) . . ?
C13 C12 C17 118.6(4) . . ?
C11 C12 C17 119.0(4) . . ?
C14 C13 C12 121.4(4) . . ?
C13 C14 C15 117.9(4) . . ?
C13 C14 C18 121.5(4) . . ?
C15 C14 C18 120.6(4) . . ?
C16 C15 C14 121.3(4) . . ?
C15 C16 C11 122.3(4) . . ?
C15 C16 C19 118.3(4) . . ?
C11 C16 C19 119.4(4) . . ?
C24 O20 C21 108.9(3) . . ?
C24 O20 Li 123.3(3) . . ?
C21 O20 Li 121.7(3) . . ?
O20 C21 C22 107.0(4) . . ?
C21 C22 C23 102.0(4) . . ?
C24 C23 C22 102.5(4) . . ?
O20 C24 C23 104.8(4) . . ?
C29 O25 C26 106.8(4) . . ?
C29 O25 Li 118.5(4) . . ?
C26 O25 Li 134.6(3) . . ?
O25 C26 C27 105.3(4) . . ?
C28 C27 C26 104.6(4) . . ?
C29 C28 C27 106.7(5) . . ?
O25 C29 C28 106.7(5) . . ?
C31 O30 C34 108.6(4) . . ?
C31 O30 Li 118.9(4) . . ?
C34 O30 Li 129.2(3) . . ?
O30 C31 C32 106.6(4) . . ?
C33 C32 C31 104.6(5) . . ?
C34 C33 C32 102.5(5) . . ?
O30 C34 C33 104.3(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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O25 Li N1 C9 162.5(4) . . . . ?
O30 Li N1 C9 -77.1(5) . . . . ?
O20 Li N1 C9 47.4(5) . . . . ?
O25 Li N1 C2 43.5(5) . . . . ?
O30 Li N1 C2 163.9(4) . . . . ?
O20 Li N1 C2 -71.6(5) . . . . ?
O25 Li N1 Cu -75.9(4) . . . . ?
O30 Li N1 Cu 44.4(5) . . . . ?
O20 Li N1 Cu 169.0(3) . . . . ?
C9 N1 C2 C3 69.1(5) . . . . ?
Cu N1 C2 C3 -54.9(5) . . . . ?
Li N1 C2 C3 -170.5(4) . . . . ?
N1 C2 C3 C8 -99.5(6) . . . . ?
N1 C2 C3 C4 76.6(6) . . . . ?
C8 C3 C4 C5 1.4(7) . . . . ?
C2 C3 C4 C5 -174.9(4) . . . . ?
C3 C4 C5 C6 0.2(8) . . . . ?
C4 C5 C6 C7 -2.2(9) . . . . ?
C5 C6 C7 C8 2.4(10) . . . . ?
C4 C3 C8 C7 -1.1(9) . . . . ?
C2 C3 C8 C7 175.1(6) . . . . ?
C6 C7 C8 C3 -0.8(11) . . . . ?
C2 N1 C9 C10 176.4(4) . . . . ?
Cu N1 C9 C10 -58.9(4) . . . . ?
Li N1 C9 C10 59.9(5) . . . . ?
C16 C11 C12 C13 0.9(6) . . . . ?
Cu C11 C12 C13 177.3(3) . . . . ?
C16 C11 C12 C17 -178.6(4) . . . . ?
Cu C11 C12 C17 -2.2(6) . . . . ?
C11 C12 C13 C14 -0.7(6) . . . . ?
C17 C12 C13 C14 178.8(4) . . . . ?
C12 C13 C14 C15 0.0(6) . . . . ?
C12 C13 C14 C18 179.7(4) . . . . ?
C13 C14 C15 C16 0.4(6) . . . . ?
C18 C14 C15 C16 -179.3(4) . . . . ?
C14 C15 C16 C11 -0.2(6) . . . . ?
C14 C15 C16 C19 -179.8(4) . . . . ?
C12 C11 C16 C15 -0.4(6) . . . . ?
Cu C11 C16 C15 -177.2(3) . . . . ?
C12 C11 C16 C19 179.1(4) . . . . ?
Cu C11 C16 C19 2.4(5) . . . . ?
O25 Li O20 C24 -59.6(5) . . . . ?
O30 Li O20 C24 -165.0(4) . . . . ?
N1 Li O20 C24 62.6(6) . . . . ?
O25 Li O20 C21 151.0(4) . . . . ?
O30 Li O20 C21 45.6(5) . . . . ?
N1 Li O20 C21 -86.8(5) . . . . ?
C24 O20 C21 C22 2.0(5) . . . . ?
Li O20 C21 C22 155.3(4) . . . . ?
O20 C21 C22 C23 -24.2(5) . . . . ?
C21 C22 C23 C24 36.6(5) . . . . ?
C21 O20 C24 C23 21.8(5) . . . . ?
Li O20 C24 C23 -131.0(4) . . . . ?
C22 C23 C24 O20 -36.3(5) . . . . ?
O30 Li O25 C29 -67.6(6) . . . . ?
O20 Li O25 C29 -173.7(5) . . . . ?
N1 Li O25 C29 61.9(6) . . . . ?
O30 Li O25 C26 118.1(5) . . . . ?
O20 Li O25 C26 11.9(7) . . . . ?
N1 Li O25 C26 -112.4(5) . . . . ?
C29 O25 C26 C27 29.3(6) . . . . ?
Li O25 C26 C27 -155.9(5) . . . . ?
O25 C26 C27 C28 -15.5(6) . . . . ?
C26 C27 C28 C29 -3.5(8) . . . . ?
C26 O25 C29 C28 -32.2(8) . . . . ?
Li O25 C29 C28 152.0(6) . . . . ?
C27 C28 C29 O25 21.5(9) . . . . ?
O25 Li O30 C31 -49.5(5) . . . . ?
O20 Li O30 C31 54.2(5) . . . . ?
N1 Li O30 C31 -175.2(4) . . . . ?
O25 Li O30 C34 107.4(5) . . . . ?
O20 Li O30 C34 -148.9(4) . . . . ?
N1 Li O30 C34 -18.3(7) . . . . ?
C34 O30 C31 C32 -13.5(7) . . . . ?
Li O30 C31 C32 147.8(5) . . . . ?
O30 C31 C32 C33 -10.0(8) . . . . ?
C31 C32 C33 C34 28.2(8) . . . . ?
C31 O30 C34 C33 31.8(6) . . . . ?
Li O30 C34 C33 -127.0(5) . . . . ?
C32 C33 C34 O30 -36.8(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.920
_diffrn_reflns_theta_full        31.00
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         1.552
_refine_diff_density_min         -0.536
_refine_diff_density_rms         0.109

#===END