#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:50:39 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179515 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/12/4341221.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_4341221
loop_
_publ_author_name
'Liu, Jun-Feng'
'Min, Xue'
'Lv, Jin-Yu'
'Pan, Fu-Xing'
'Pan, Qing-Jiang'
'Sun, Zhong-Ming'
_publ_section_title
;
 Ligand-controlled syntheses of copper(i) complexes with metal-metal
 interactions: crystal structure and relativistic density functional
 theory investigation.
;
_journal_issue                   20
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11068
_journal_page_last               11074
_journal_paper_doi               10.1021/ic5015797
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C118 H154 Cu3 I Li2 N6 O7 Si2'
_chemical_formula_weight         2156.05
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 98.686(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.4633(13)
_cell_length_b                   41.433(3)
_cell_length_c                   17.0997(14)
_cell_measurement_reflns_used    '12178 / 1 / 619'
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.21
_cell_measurement_theta_min      0.98
_cell_volume                     12230.7(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker Apex II CCD '
_diffrn_measurement_method       multi-scan
_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  0.1199
_diffrn_reflns_av_sigmaI/netI    0.1453
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            38312
_diffrn_reflns_theta_full        26.21
_diffrn_reflns_theta_max         26.21
_diffrn_reflns_theta_min         0.98
_exptl_absorpt_coefficient_mu    0.840
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6636
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.171
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       brick
_exptl_crystal_F_000             4536
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.006
_refine_diff_density_min         -0.638
_refine_diff_density_rms         0.090
_refine_ls_extinction_coef       0.00027(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     619
_refine_ls_number_reflns         12178
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      0.963
_refine_ls_R_factor_all          0.1995
_refine_ls_R_factor_gt           0.0773
_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)+(0.1200P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1986
_refine_ls_wR_factor_ref         0.2624
_reflns_number_gt                4722
_reflns_number_total             12178
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5015797_si_002.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 4341220--4341222.cif.'
_cod_original_cell_volume        12230.7(17)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4341221
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Cu1 Cu 0.0000 0.64115(3) 0.2500 0.0472(3) Uani 1 2 d S
Cu2 Cu -0.06365(4) 0.64449(2) 0.10974(5) 0.0535(3) Uani 1 1 d .
Li1 Li 0.3772(8) 0.6193(4) 0.8313(10) 0.092(5) Uani 1 1 d .
I1 I 0.5000 0.62045(6) 0.7500 0.2256(10) Uani 1 2 d S
Si1 Si 0.11405(10) 0.64737(4) 0.12761(11) 0.0488(5) Uani 1 1 d .
O1 O 0.3067(4) 0.65240(18) 0.7976(4) 0.115(2) Uani 1 1 d .
O2 O 0.4126(4) 0.62471(19) 0.9420(4) 0.108(2) Uani 1 1 d .
O3 O 0.3285(5) 0.5785(2) 0.8152(6) 0.145(3) Uani 1 1 d U
O4 O 1.0000 0.4671(13) 0.2500 0.83(10) Uani 1 2 d S
N1 N 0.0269(3) 0.66043(13) 0.0822(3) 0.0536(14) Uani 1 1 d .
N2 N 0.1043(3) 0.63714(12) 0.2253(3) 0.0479(13) Uani 1 1 d .
N3 N 0.1541(3) 0.62960(12) 0.3573(3) 0.0496(14) Uani 1 1 d .
C1 C 0.0144(4) 0.68240(19) 0.0174(5) 0.061(2) Uani 1 1 d .
C2 C 0.0155(4) 0.7155(2) 0.0315(6) 0.072(2) Uani 1 1 d .
C3 C 0.0023(5) 0.7366(3) -0.0332(8) 0.105(3) Uani 1 1 d .
H3 H 0.0031 0.7587 -0.0238 0.126 Uiso 1 1 calc R
C4 C -0.0116(6) 0.7258(4) -0.1095(8) 0.127(5) Uani 1 1 d .
H4 H -0.0190 0.7401 -0.1519 0.152 Uiso 1 1 calc R
C5 C -0.0141(5) 0.6936(3) -0.1207(6) 0.108(4) Uani 1 1 d .
H5 H -0.0249 0.6861 -0.1724 0.130 Uiso 1 1 calc R
C6 C -0.0019(4) 0.6712(2) -0.0614(5) 0.078(2) Uani 1 1 d .
C7 C 0.0252(5) 0.72935(19) 0.1131(6) 0.085(3) Uani 1 1 d .
H7A H 0.0497 0.7125 0.1487 0.102 Uiso 1 1 calc R
C8 C 0.0782(6) 0.7593(2) 0.1268(8) 0.141(5) Uani 1 1 d .
H8A H 0.1276 0.7545 0.1113 0.211 Uiso 1 1 calc R
H8B H 0.0853 0.7651 0.1818 0.211 Uiso 1 1 calc R
H8C H 0.0547 0.7770 0.0957 0.211 Uiso 1 1 calc R
C9 C -0.0542(5) 0.7364(3) 0.1392(7) 0.124(4) Uani 1 1 d .
H9A H -0.0861 0.7175 0.1317 0.186 Uiso 1 1 calc R
H9B H -0.0791 0.7538 0.1080 0.186 Uiso 1 1 calc R
H9C H -0.0466 0.7424 0.1941 0.186 Uiso 1 1 calc R
C10 C -0.0090(5) 0.6359(2) -0.0799(5) 0.084(3) Uani 1 1 d .
H10A H 0.0002 0.6245 -0.0291 0.100 Uiso 1 1 calc R
C11 C -0.0923(5) 0.6264(3) -0.1199(7) 0.124(4) Uani 1 1 d .
H11A H -0.1295 0.6341 -0.0883 0.186 Uiso 1 1 calc R
H11B H -0.0960 0.6034 -0.1245 0.186 Uiso 1 1 calc R
H11C H -0.1026 0.6360 -0.1716 0.186 Uiso 1 1 calc R
C12 C 0.0509(6) 0.6233(3) -0.1287(6) 0.132(4) Uani 1 1 d .
H12A H 0.1019 0.6288 -0.1030 0.198 Uiso 1 1 calc R
H12B H 0.0420 0.6330 -0.1804 0.198 Uiso 1 1 calc R
H12C H 0.0464 0.6003 -0.1336 0.198 Uiso 1 1 calc R
C13 C 0.1900(4) 0.67987(16) 0.1265(4) 0.0536(17) Uani 1 1 d .
C14 C 0.2121(4) 0.68927(17) 0.0546(5) 0.069(2) Uani 1 1 d .
H14 H 0.1880 0.6801 0.0077 0.082 Uiso 1 1 calc R
C15 C 0.2696(5) 0.7121(2) 0.0529(7) 0.093(3) Uani 1 1 d .
H15 H 0.2842 0.7180 0.0048 0.112 Uiso 1 1 calc R
C16 C 0.3051(6) 0.7261(2) 0.1208(8) 0.099(3) Uani 1 1 d .
H16 H 0.3447 0.7409 0.1187 0.119 Uiso 1 1 calc R
C17 C 0.2832(5) 0.7187(2) 0.1922(7) 0.105(3) Uani 1 1 d .
H17 H 0.3069 0.7286 0.2384 0.126 Uiso 1 1 calc R
C18 C 0.2248(4) 0.69598(18) 0.1941(5) 0.073(2) Uani 1 1 d .
H18 H 0.2085 0.6914 0.2422 0.087 Uiso 1 1 calc R
C19 C 0.1480(4) 0.61136(17) 0.0742(4) 0.0575(18) Uani 1 1 d .
C20 C 0.2178(5) 0.60977(19) 0.0448(5) 0.077(2) Uani 1 1 d .
H20 H 0.2517 0.6272 0.0527 0.092 Uiso 1 1 calc R
C21 C 0.2386(6) 0.5832(3) 0.0044(6) 0.111(4) Uani 1 1 d .
H21 H 0.2863 0.5828 -0.0134 0.133 Uiso 1 1 calc R
C22 C 0.1902(8) 0.5575(3) -0.0097(7) 0.127(4) Uani 1 1 d .
H22 H 0.2041 0.5397 -0.0376 0.153 Uiso 1 1 calc R
C23 C 0.1200(7) 0.5582(2) 0.0182(7) 0.107(3) Uani 1 1 d .
H23 H 0.0864 0.5407 0.0096 0.129 Uiso 1 1 calc R
C24 C 0.0998(5) 0.58522(19) 0.0592(5) 0.081(2) Uani 1 1 d .
H24 H 0.0521 0.5855 0.0771 0.098 Uiso 1 1 calc R
C25 C 0.1613(3) 0.62798(14) 0.2814(4) 0.0459(16) Uani 1 1 d .
C26 C 0.2343(4) 0.61268(18) 0.2607(4) 0.0572(18) Uani 1 1 d .
C27 C 0.3044(4) 0.6286(2) 0.2707(5) 0.074(2) Uani 1 1 d .
H27 H 0.3079 0.6495 0.2905 0.089 Uiso 1 1 calc R
C28 C 0.3700(5) 0.6132(3) 0.2512(6) 0.108(3) Uani 1 1 d .
H28 H 0.4167 0.6243 0.2567 0.129 Uiso 1 1 calc R
C29 C 0.3668(7) 0.5823(4) 0.2243(7) 0.120(4) Uani 1 1 d .
H29 H 0.4113 0.5721 0.2131 0.145 Uiso 1 1 calc R
C30 C 0.2980(8) 0.5664(2) 0.2140(6) 0.110(4) Uani 1 1 d .
H30 H 0.2957 0.5454 0.1951 0.132 Uiso 1 1 calc R
C31 C 0.2301(5) 0.58127(19) 0.2314(5) 0.079(2) Uani 1 1 d .
H31 H 0.1832 0.5703 0.2235 0.095 Uiso 1 1 calc R
C32 C 0.2156(4) 0.6205(2) 0.4194(4) 0.0590(19) Uani 1 1 d .
C33 C 0.2215(4) 0.5890(2) 0.4464(5) 0.072(2) Uani 1 1 d .
C34 C 0.2787(6) 0.5813(2) 0.5117(6) 0.091(3) Uani 1 1 d .
H34 H 0.2838 0.5601 0.5297 0.109 Uiso 1 1 calc R
C35 C 0.3258(5) 0.6043(3) 0.5482(6) 0.094(3) Uani 1 1 d .
H35 H 0.3634 0.5987 0.5905 0.113 Uiso 1 1 calc R
C36 C 0.3189(5) 0.6356(3) 0.5238(5) 0.090(3) Uani 1 1 d .
H36 H 0.3516 0.6511 0.5501 0.108 Uiso 1 1 calc R
C37 C 0.2626(4) 0.6450(2) 0.4588(5) 0.068(2) Uani 1 1 d .
C38 C 0.1657(5) 0.56229(19) 0.4116(5) 0.079(2) Uani 1 1 d .
H38A H 0.1357 0.5705 0.3626 0.095 Uiso 1 1 calc R
C39 C 0.2061(6) 0.5309(2) 0.3920(6) 0.111(3) Uani 1 1 d .
H39A H 0.2405 0.5354 0.3546 0.166 Uiso 1 1 calc R
H39B H 0.1678 0.5155 0.3698 0.166 Uiso 1 1 calc R
H39C H 0.2351 0.5222 0.4395 0.166 Uiso 1 1 calc R
C40 C 0.1086(5) 0.5543(2) 0.4696(7) 0.118(4) Uani 1 1 d .
H40A H 0.0821 0.5736 0.4813 0.177 Uiso 1 1 calc R
H40B H 0.1367 0.5456 0.5177 0.177 Uiso 1 1 calc R
H40C H 0.0716 0.5387 0.4460 0.177 Uiso 1 1 calc R
C41 C 0.2528(5) 0.6804(2) 0.4370(5) 0.076(2) Uani 1 1 d .
H41A H 0.2186 0.6819 0.3861 0.091 Uiso 1 1 calc R
C42 C 0.2133(5) 0.6976(2) 0.4987(6) 0.103(3) Uani 1 1 d .
H42A H 0.1650 0.6872 0.5027 0.154 Uiso 1 1 calc R
H42B H 0.2038 0.7197 0.4833 0.154 Uiso 1 1 calc R
H42C H 0.2461 0.6968 0.5490 0.154 Uiso 1 1 calc R
C43 C 0.3288(5) 0.6976(2) 0.4284(6) 0.116(4) Uani 1 1 d .
H43A H 0.3528 0.6869 0.3886 0.174 Uiso 1 1 calc R
H43B H 0.3628 0.6969 0.4779 0.174 Uiso 1 1 calc R
H43C H 0.3182 0.7196 0.4131 0.174 Uiso 1 1 calc R
C44 C 0.2412(8) 0.6588(4) 0.8356(8) 0.180(6) Uani 1 1 d .
H44A H 0.2573 0.6601 0.8924 0.215 Uiso 1 1 calc R
H44B H 0.2042 0.6413 0.8252 0.215 Uiso 1 1 calc R
C45 C 0.2053(8) 0.6886(3) 0.8073(10) 0.148(5) Uani 1 1 d .
H45A H 0.2166 0.7054 0.8467 0.178 Uiso 1 1 calc R
H45B H 0.1496 0.6860 0.7950 0.178 Uiso 1 1 calc R
C46 C 0.2387(8) 0.6967(3) 0.7351(9) 0.135(4) Uani 1 1 d .
H46A H 0.2603 0.7183 0.7390 0.162 Uiso 1 1 calc R
H46B H 0.1992 0.6956 0.6888 0.162 Uiso 1 1 calc R
C47 C 0.3011(7) 0.6722(3) 0.7294(7) 0.133(4) Uani 1 1 d .
H47A H 0.2880 0.6593 0.6820 0.160 Uiso 1 1 calc R
H47B H 0.3501 0.6830 0.7272 0.160 Uiso 1 1 calc R
C48 C 0.4602(7) 0.6017(3) 0.9894(9) 0.148(5) Uani 1 1 d .
H48A H 0.5030 0.5950 0.9632 0.178 Uiso 1 1 calc R
H48B H 0.4302 0.5829 0.9993 0.178 Uiso 1 1 calc R
C49 C 0.4898(9) 0.6190(5) 1.0664(10) 0.179(6) Uani 1 1 d .
H49A H 0.4731 0.6077 1.1105 0.215 Uiso 1 1 calc R
H49B H 0.5459 0.6197 1.0746 0.215 Uiso 1 1 calc R
C50 C 0.4584(11) 0.6520(5) 1.0614(12) 0.198(7) Uani 1 1 d .
H50A H 0.4187 0.6545 1.0949 0.238 Uiso 1 1 calc R
H50B H 0.4990 0.6678 1.0767 0.238 Uiso 1 1 calc R
C51 C 0.4259(10) 0.6552(3) 0.9777(10) 0.167(6) Uani 1 1 d .
H51A H 0.3775 0.6671 0.9728 0.200 Uiso 1 1 calc R
H51B H 0.4614 0.6674 0.9505 0.200 Uiso 1 1 calc R
C52 C 0.3677(11) 0.5492(4) 0.8302(13) 0.247(8) Uani 1 1 d U
H52A H 0.3538 0.5389 0.8771 0.297 Uiso 1 1 calc R
H52B H 0.4234 0.5525 0.8378 0.297 Uiso 1 1 calc R
C53 C 0.3436(12) 0.5298(5) 0.7616(14) 0.263(9) Uani 1 1 d DU
H53A H 0.3469 0.5070 0.7745 0.315 Uiso 1 1 calc R
H53B H 0.3748 0.5342 0.7205 0.315 Uiso 1 1 calc R
C54 C 0.2622(12) 0.5398(5) 0.7367(15) 0.270(10) Uani 1 1 d DU
H54A H 0.2476 0.5377 0.6799 0.325 Uiso 1 1 calc R
H54B H 0.2272 0.5270 0.7629 0.325 Uiso 1 1 calc R
C55 C 0.2613(10) 0.5736(4) 0.7612(12) 0.220(7) Uani 1 1 d U
H55A H 0.2606 0.5878 0.7158 0.264 Uiso 1 1 calc R
H55B H 0.2158 0.5781 0.7857 0.264 Uiso 1 1 calc R
C56 C 0.9746(11) 0.5296(5) 0.2837(10) 0.261(14) Uani 1 1 d .
H56A H 0.9248 0.5399 0.2671 0.313 Uiso 1 1 calc R
H56B H 1.0006 0.5401 0.3310 0.313 Uiso 1 1 calc R
C57 C 0.9659(14) 0.4924(9) 0.2964(17) 0.33(3) Uani 1 1 d .
H57A H 0.9858 0.4883 0.3515 0.393 Uiso 1 1 calc R
H57B H 0.9107 0.4881 0.2899 0.393 Uiso 1 1 calc R
C58 C 0.4464(8) 0.4855(3) 0.9942(9) 0.163(5) Uiso 1 1 d .
C59 C 0.4855(12) 0.5146(5) 1.0848(14) 0.261(9) Uiso 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'
Si Si 0.0817 0.0704 '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'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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
N2 Cu1 N2 170.2(3) 2 .
N2 Cu1 Cu2 95.31(16) 2 2
N2 Cu1 Cu2 85.24(16) . 2
N2 Cu1 Cu2 85.24(16) 2 .
N2 Cu1 Cu2 95.31(16) . .
Cu2 Cu1 Cu2 173.62(6) 2 .
N1 Cu2 N3 176.9(2) . 2
N1 Cu2 Cu1 89.48(18) . .
N3 Cu2 Cu1 88.06(17) 2 .
O1 Li1 O3 110.4(8) . .
O1 Li1 O2 108.5(8) . .
O3 Li1 O2 108.6(9) . .
O1 Li1 I1 111.2(7) . .
O3 Li1 I1 108.2(7) . .
O2 Li1 I1 109.9(6) . .
Li1 I1 Li1 178.0(6) 2_656 .
N1 Si1 N2 107.7(3) . .
N1 Si1 C19 110.9(3) . .
N2 Si1 C19 110.6(3) . .
N1 Si1 C13 110.6(3) . .
N2 Si1 C13 110.5(3) . .
C19 Si1 C13 106.6(3) . .
C47 O1 C44 107.9(9) . .
C47 O1 Li1 129.6(8) . .
C44 O1 Li1 122.1(9) . .
C51 O2 C48 108.0(10) . .
C51 O2 Li1 122.8(9) . .
C48 O2 Li1 123.7(9) . .
C55 O3 C52 109.6(12) . .
C55 O3 Li1 122.6(11) . .
C52 O3 Li1 123.5(11) . .
C57 O4 C57 91(4) . 2_755
C1 N1 Si1 125.7(4) . .
C1 N1 Cu2 113.1(4) . .
Si1 N1 Cu2 121.1(3) . .
C25 N2 Si1 125.8(4) . .
C25 N2 Cu1 119.6(4) . .
Si1 N2 Cu1 114.6(3) . .
C25 N3 C32 122.6(5) . .
C25 N3 Cu2 121.6(4) . 2
C32 N3 Cu2 115.8(4) . 2
C2 C1 C6 119.1(8) . .
C2 C1 N1 119.8(7) . .
C6 C1 N1 121.1(7) . .
C1 C2 C3 118.8(10) . .
C1 C2 C7 122.6(7) . .
C3 C2 C7 118.5(9) . .
C4 C3 C2 122.3(11) . .
C5 C4 C3 117.2(12) . .
C4 C5 C6 124.7(12) . .
C5 C6 C1 118.0(10) . .
C5 C6 C10 120.6(10) . .
C1 C6 C10 121.4(8) . .
C2 C7 C9 111.2(8) . .
C2 C7 C8 115.5(8) . .
C9 C7 C8 110.3(8) . .
C6 C10 C12 114.0(8) . .
C6 C10 C11 112.4(8) . .
C12 C10 C11 110.1(8) . .
C18 C13 C14 116.9(7) . .
C18 C13 Si1 123.5(6) . .
C14 C13 Si1 119.6(6) . .
C15 C14 C13 120.4(9) . .
C16 C15 C14 120.8(9) . .
C15 C16 C17 120.9(9) . .
C16 C17 C18 118.5(10) . .
C17 C18 C13 122.3(8) . .
C24 C19 C20 116.3(7) . .
C24 C19 Si1 119.0(6) . .
C20 C19 Si1 124.7(6) . .
C21 C20 C19 122.1(8) . .
C22 C21 C20 120.8(9) . .
C21 C22 C23 119.0(10) . .
C22 C23 C24 119.7(9) . .
C19 C24 C23 122.2(8) . .
N3 C25 N2 121.4(5) . .
N3 C25 C26 117.3(6) . .
N2 C25 C26 121.1(6) . .
C27 C26 C31 119.3(7) . .
C27 C26 C25 122.3(7) . .
C31 C26 C25 118.4(7) . .
C26 C27 C28 119.9(9) . .
C29 C28 C27 121.2(10) . .
C30 C29 C28 119.3(10) . .
C29 C30 C31 121.3(10) . .
C26 C31 C30 119.0(9) . .
C33 C32 C37 120.8(7) . .
C33 C32 N3 120.2(7) . .
C37 C32 N3 118.5(7) . .
C32 C33 C34 118.9(8) . .
C32 C33 C38 122.6(7) . .
C34 C33 C38 118.4(8) . .
C35 C34 C33 120.9(9) . .
C34 C35 C36 120.8(9) . .
C35 C36 C37 121.4(9) . .
C32 C37 C36 117.2(8) . .
C32 C37 C41 122.9(7) . .
C36 C37 C41 119.8(8) . .
C33 C38 C39 114.1(7) . .
C33 C38 C40 109.9(8) . .
C39 C38 C40 108.6(7) . .
C37 C41 C42 109.1(7) . .
C37 C41 C43 113.9(7) . .
C42 C41 C43 109.9(7) . .
O1 C44 C45 110.2(12) . .
C44 C45 C46 105.7(12) . .
C45 C46 C47 106.3(11) . .
O1 C47 C46 107.4(9) . .
O2 C48 C49 105.6(12) . .
C50 C49 C48 108.3(14) . .
C51 C50 C49 103.2(15) . .
O2 C51 C50 110.8(12) . .
O3 C52 C53 105.1(17) . .
C52 C53 C54 103.3(17) . .
C55 C54 C53 103.7(16) . .
O3 C55 C54 106.4(16) . .
C56 C56 C57 100.4(16) 2_755 .
O4 C57 C56 124(3) . .
C59 C58 C59 111.6(11) 5_667 .
C58 C59 C58 68.4(11) 5_667 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N2 1.938(5) 2
Cu1 N2 1.938(5) .
Cu1 Cu2 2.4904(9) 2
Cu1 Cu2 2.4904(9) .
Cu2 N1 1.839(5) .
Cu2 N3 1.861(5) 2
Li1 O1 1.875(17) .
Li1 O3 1.893(16) .
Li1 O2 1.914(18) .
Li1 I1 2.727(15) .
I1 Li1 2.727(15) 2_656
Si1 N1 1.690(6) .
Si1 N2 1.757(6) .
Si1 C19 1.891(7) .
Si1 C13 1.892(7) .
O1 C47 1.418(12) .
O1 C44 1.424(12) .
O2 C51 1.408(13) .
O2 C48 1.432(12) .
O3 C55 1.396(17) .
O3 C52 1.399(17) .
O4 C57 1.49(6) .
O4 C57 1.49(6) 2_755
N1 C1 1.425(8) .
N2 C25 1.329(8) .
N3 C25 1.325(8) .
N3 C32 1.441(8) .
N3 Cu2 1.861(5) 2
C1 C2 1.390(10) .
C1 C6 1.413(11) .
C2 C3 1.402(12) .
C2 C7 1.496(12) .
C3 C4 1.366(15) .
C4 C5 1.348(15) .
C5 C6 1.368(12) .
C6 C10 1.496(12) .
C7 C9 1.546(11) .
C7 C8 1.546(11) .
C10 C12 1.526(12) .
C10 C11 1.561(12) .
C13 C18 1.393(10) .
C13 C14 1.397(9) .
C14 C15 1.385(10) .
C15 C16 1.360(13) .
C16 C17 1.367(14) .
C17 C18 1.391(11) .
C19 C24 1.372(10) .
C19 C20 1.389(9) .
C20 C21 1.377(11) .
C21 C22 1.357(13) .
C22 C23 1.381(13) .
C23 C24 1.395(11) .
C25 C26 1.512(9) .
C26 C27 1.378(10) .
C26 C31 1.392(10) .
C27 C28 1.394(11) .
C28 C29 1.359(14) .
C29 C30 1.358(14) .
C30 C31 1.405(12) .
C32 C33 1.385(10) .
C32 C37 1.412(10) .
C33 C34 1.418(11) .
C33 C38 1.533(11) .
C34 C35 1.348(12) .
C35 C36 1.362(12) .
C36 C37 1.423(11) .
C37 C41 1.517(10) .
C38 C39 1.541(10) .
C38 C40 1.546(11) .
C41 C42 1.522(11) .
C41 C43 1.531(11) .
C44 C45 1.435(15) .
C45 C46 1.481(15) .
C46 C47 1.502(14) .
C48 C49 1.519(18) .
C49 C50 1.469(19) .
C50 C51 1.47(2) .
C52 C53 1.43(2) .
C53 C54 1.480(10) .
C54 C55 1.46(2) .
C56 C56 1.56(4) 2_755
C56 C57 1.57(3) .
C58 C59 1.93(2) 5_667
C58 C59 2.00(2) .
C59 C58 1.93(2) 5_667
