#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:03:17 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179823 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/19/7011956.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_7011956
loop_
_publ_author_name
'Eaborn, Colin'
'El-Hamruni, Salima M.'
'Hill, Michael S.'
'Hitchcock, Peter B.'
'David Smith, J.'
_publ_section_title
;
 Syntheses and structures of lithium cyanocuprates containing the
 C(SiMe3)3, C(SiMe3)2(SiMe2NMe2) and C(SiMe3)(SiMe2OMe)2 groups
;
_journal_issue                   21
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3975
_journal_paper_doi               10.1039/b206176g
_journal_year                    2002
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C40 H92 Cu2 Li2 N4 O4 Si6'
_chemical_formula_sum            'C40 H92 Cu2 Li2 N4 O4 Si6'
_chemical_formula_weight         1002.68
_chemical_name_common
;
[{(Me2NSiMe2)(Me3Si)2CCuCNLi(thf)2}2]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.2
_audit_creation_date             2002-03-04T15:52:15-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                103.59(7)
_cell_angle_beta                 94.01(5)
_cell_angle_gamma                106.63(6)
_cell_formula_units_Z            2
_cell_length_a                   13.344(6)
_cell_length_b                   13.797(12)
_cell_length_c                   16.934(12)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      10
_cell_measurement_theta_min      7
_cell_measurement_wavelength     0.71073
_cell_volume                     2872(4)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       'Nonius CAD4'
_diffrn_measurement_method       'omega-2theta scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_av_unetI/netI     0.0802
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7019
_diffrn_reflns_theta_full        22.02
_diffrn_reflns_theta_max         22.02
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    0.902
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.89
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.159
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1080
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         1.005
_refine_diff_density_min         -0.72
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         7019
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.982
_refine_ls_R_factor_all          0.1007
_refine_ls_R_factor_gt           0.0665
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1235P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1657
_refine_ls_wR_factor_ref         0.1908
_reflns_number_gt                4889
_reflns_number_total             7019
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b206176g.txt
_cod_data_source_block           nov1098-JDS1E
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'psi-scans' was replaced
with 'psi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2872(3)
_cod_database_code               7011956
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
Cu1 Cu 0.35607(6) 0.26986(7) 0.00038(5) 0.0340(3) Uani 1 1 d . . .
Cu2 Cu 0.67322(6) 0.18204(6) 0.44280(5) 0.0333(3) Uani 1 1 d . . .
Si1 Si 0.21582(16) 0.38805(16) -0.06292(13) 0.0404(5) Uani 1 1 d . . .
Si2 Si 0.30151(15) 0.22825(16) -0.17831(12) 0.0377(5) Uani 1 1 d . . .
Si3 Si 0.13659(15) 0.15346(16) -0.06635(12) 0.0399(5) Uani 1 1 d . . .
Si4 Si 0.81654(14) 0.10364(14) 0.54221(11) 0.0288(5) Uani 1 1 d . . .
Si5 Si 0.65837(16) 0.21220(16) 0.62268(12) 0.0376(5) Uani 1 1 d . . .
Si6 Si 0.85303(16) 0.33867(15) 0.55778(12) 0.0391(5) Uani 1 1 d . . .
O1 O 0.3264(4) 0.1834(5) 0.2524(3) 0.0589(15) Uani 1 1 d . . .
O2 O 0.3684(4) -0.0022(4) 0.1320(3) 0.0560(15) Uani 1 1 d . . .
O3 O 0.7610(4) 0.2850(4) 0.2032(4) 0.0566(15) Uani 1 1 d . . .
O4 O 0.6341(4) 0.4272(4) 0.2929(3) 0.0591(15) Uani 1 1 d . . .
N1 N 0.5055(5) 0.2472(5) 0.1307(4) 0.0479(17) Uani 1 1 d . . .
N2 N 0.5569(5) 0.1710(5) 0.2817(4) 0.0525(17) Uani 1 1 d . . .
N3 N 0.2046(5) 0.4364(5) 0.0382(4) 0.0480(16) Uani 1 1 d . . .
N4 N 0.9197(4) 0.1171(5) 0.4849(3) 0.0374(14) Uani 1 1 d . . .
C1 C 0.2453(5) 0.2635(5) -0.0831(4) 0.0322(16) Uani 1 1 d . . .
C2 C 0.0865(6) 0.3752(7) -0.1244(5) 0.060(2) Uani 1 1 d . . .
H2A H 0.0736 0.4432 -0.1121 0.09 Uiso 1 1 calc R . .
H2B H 0.0287 0.3233 -0.1099 0.09 Uiso 1 1 calc R . .
H2C H 0.0903 0.3523 -0.1832 0.09 Uiso 1 1 calc R . .
C3 C 0.3185(7) 0.4943(6) -0.0906(6) 0.065(3) Uani 1 1 d . . .
H3A H 0.2988 0.5588 -0.0787 0.098 Uiso 1 1 calc R . .
H3B H 0.3234 0.4726 -0.1492 0.098 Uiso 1 1 calc R . .
H3C H 0.3871 0.507 -0.0583 0.098 Uiso 1 1 calc R . .
C4 C 0.1278(8) 0.4896(8) 0.0641(6) 0.089(3) Uani 1 1 d . . .
H4A H 0.0673 0.4664 0.0203 0.134 Uiso 1 1 calc R . .
H4B H 0.1608 0.5656 0.0754 0.134 Uiso 1 1 calc R . .
H4C H 0.1035 0.4725 0.1139 0.134 Uiso 1 1 calc R . .
C5 C 0.2931(7) 0.4689(8) 0.1020(6) 0.086(3) Uani 1 1 d . . .
H5A H 0.3442 0.4326 0.0842 0.129 Uiso 1 1 calc R . .
H5B H 0.2687 0.4513 0.1517 0.129 Uiso 1 1 calc R . .
H5C H 0.3268 0.5449 0.1139 0.129 Uiso 1 1 calc R . .
C6 C 0.2254(7) 0.2372(7) -0.2723(4) 0.059(2) Uani 1 1 d . . .
H6A H 0.2597 0.2175 -0.3202 0.089 Uiso 1 1 calc R . .
H6B H 0.2238 0.3093 -0.265 0.089 Uiso 1 1 calc R . .
H6C H 0.153 0.1894 -0.2808 0.089 Uiso 1 1 calc R . .
C7 C 0.4416(6) 0.3109(7) -0.1717(5) 0.061(2) Uani 1 1 d . . .
H7A H 0.4676 0.2891 -0.2236 0.091 Uiso 1 1 calc R . .
H7B H 0.4855 0.3021 -0.1268 0.091 Uiso 1 1 calc R . .
H7C H 0.4451 0.3848 -0.1614 0.091 Uiso 1 1 calc R . .
C8 C 0.3096(7) 0.0915(6) -0.2049(5) 0.057(2) Uani 1 1 d . . .
H8A H 0.34 0.0785 -0.2559 0.086 Uiso 1 1 calc R . .
H8B H 0.2386 0.0413 -0.2123 0.086 Uiso 1 1 calc R . .
H8C H 0.3545 0.0829 -0.1604 0.086 Uiso 1 1 calc R . .
C9 C 0.1864(7) 0.0520(6) -0.0332(5) 0.058(2) Uani 1 1 d . . .
H9A H 0.1265 -0.0038 -0.0254 0.088 Uiso 1 1 calc R . .
H9B H 0.235 0.0852 0.0186 0.088 Uiso 1 1 calc R . .
H9C H 0.2236 0.022 -0.0755 0.088 Uiso 1 1 calc R . .
C10 C 0.0624(6) 0.1968(7) 0.0172(5) 0.059(2) Uani 1 1 d . . .
H10A H 0.0067 0.1359 0.0231 0.089 Uiso 1 1 calc R . .
H10B H 0.0305 0.2476 0.0035 0.089 Uiso 1 1 calc R . .
H10C H 0.111 0.2297 0.069 0.089 Uiso 1 1 calc R . .
C11 C 0.0340(6) 0.0773(6) -0.1586(5) 0.061(2) Uani 1 1 d . . .
H11A H -0.0195 0.0214 -0.1443 0.092 Uiso 1 1 calc R . .
H11B H 0.0677 0.0463 -0.2032 0.092 Uiso 1 1 calc R . .
H11C H 0.0002 0.1244 -0.1766 0.092 Uiso 1 1 calc R . .
C12 C 0.4525(5) 0.2592(6) 0.0809(4) 0.0404(19) Uani 1 1 d . . .
C13 C 0.7543(5) 0.2098(5) 0.5486(4) 0.0278(15) Uani 1 1 d . . .
C14 C 0.7207(5) -0.0299(5) 0.4922(4) 0.0405(18) Uani 1 1 d . . .
H14A H 0.7569 -0.0829 0.49 0.061 Uiso 1 1 calc R . .
H14B H 0.6929 -0.0327 0.4363 0.061 Uiso 1 1 calc R . .
H14C H 0.6622 -0.044 0.5241 0.061 Uiso 1 1 calc R . .
C15 C 0.8728(6) 0.0997(6) 0.6462(4) 0.0382(18) Uani 1 1 d . . .
H15A H 0.9048 0.0431 0.6396 0.057 Uiso 1 1 calc R . .
H15B H 0.8162 0.0871 0.6799 0.057 Uiso 1 1 calc R . .
H15C H 0.9268 0.167 0.6732 0.057 Uiso 1 1 calc R . .
C16 C 0.8994(6) 0.0836(6) 0.3966(5) 0.054(2) Uani 1 1 d . . .
H16A H 0.8235 0.0657 0.3782 0.081 Uiso 1 1 calc R . .
H16B H 0.9223 0.0218 0.3771 0.081 Uiso 1 1 calc R . .
H16C H 0.9386 0.1404 0.3744 0.081 Uiso 1 1 calc R . .
C17 C 1.0307(5) 0.1450(6) 0.5161(5) 0.048(2) Uani 1 1 d . . .
H17A H 1.041 0.1681 0.5763 0.072 Uiso 1 1 calc R . .
H17B H 1.0712 0.2021 0.4948 0.072 Uiso 1 1 calc R . .
H17C H 1.0551 0.0839 0.4985 0.072 Uiso 1 1 calc R . .
C18 C 0.7246(7) 0.2871(6) 0.7309(4) 0.055(2) Uani 1 1 d . . .
H18A H 0.6709 0.2863 0.7676 0.083 Uiso 1 1 calc R . .
H18B H 0.7625 0.3598 0.7322 0.083 Uiso 1 1 calc R . .
H18C H 0.7746 0.254 0.7491 0.083 Uiso 1 1 calc R . .
C19 C 0.5782(6) 0.0804(6) 0.6310(5) 0.048(2) Uani 1 1 d . . .
H19A H 0.5298 0.0891 0.6711 0.071 Uiso 1 1 calc R . .
H19B H 0.6255 0.0443 0.6489 0.071 Uiso 1 1 calc R . .
H19C H 0.5374 0.0386 0.5773 0.071 Uiso 1 1 calc R . .
C20 C 0.5565(6) 0.2722(7) 0.5943(5) 0.060(2) Uani 1 1 d . . .
H20A H 0.5077 0.2718 0.635 0.09 Uiso 1 1 calc R . .
H20B H 0.5171 0.2316 0.54 0.09 Uiso 1 1 calc R . .
H20C H 0.5915 0.3447 0.5933 0.09 Uiso 1 1 calc R . .
C21 C 0.9073(6) 0.3463(6) 0.4601(5) 0.054(2) Uani 1 1 d . . .
H21A H 0.9591 0.4156 0.4677 0.081 Uiso 1 1 calc R . .
H21B H 0.8496 0.3352 0.4165 0.081 Uiso 1 1 calc R . .
H21C H 0.9417 0.292 0.4446 0.081 Uiso 1 1 calc R . .
C22 C 0.7982(7) 0.4506(6) 0.5822(5) 0.061(2) Uani 1 1 d . . .
H22A H 0.8542 0.5162 0.5861 0.091 Uiso 1 1 calc R . .
H22B H 0.771 0.4541 0.6348 0.091 Uiso 1 1 calc R . .
H22C H 0.7408 0.4402 0.5387 0.091 Uiso 1 1 calc R . .
C23 C 0.9703(6) 0.3784(6) 0.6395(5) 0.065(3) Uani 1 1 d . . .
H23A H 1.0177 0.4473 0.6393 0.097 Uiso 1 1 calc R . .
H23B H 1.0081 0.3265 0.6287 0.097 Uiso 1 1 calc R . .
H23C H 0.9464 0.3824 0.6933 0.097 Uiso 1 1 calc R . .
C24 C 0.6004(5) 0.1706(6) 0.3427(4) 0.0382(18) Uani 1 1 d . . .
C25 C 0.3137(9) 0.1828(9) 0.3350(6) 0.090(3) Uani 1 1 d . . .
H25A H 0.3824 0.2178 0.3714 0.108 Uiso 1 1 calc R . .
H25B H 0.2866 0.1098 0.3393 0.108 Uiso 1 1 calc R . .
C26 C 0.2397(13) 0.2383(14) 0.3587(8) 0.148(6) Uani 1 1 d . . .
H26A H 0.1829 0.1957 0.3824 0.177 Uiso 1 1 calc R . .
H26B H 0.276 0.3054 0.4004 0.177 Uiso 1 1 calc R . .
C27 C 0.1975(12) 0.2570(15) 0.2887(9) 0.163(7) Uani 1 1 d . . .
H27A H 0.2101 0.3333 0.2974 0.196 Uiso 1 1 calc R . .
H27B H 0.1202 0.2214 0.2772 0.196 Uiso 1 1 calc R . .
C28 C 0.2458(7) 0.2185(9) 0.2203(6) 0.084(3) Uani 1 1 d . . .
H28A H 0.1929 0.1599 0.1789 0.101 Uiso 1 1 calc R . .
H28B H 0.2766 0.275 0.194 0.101 Uiso 1 1 calc R . .
C29 C 0.2703(8) -0.0716(7) 0.1404(6) 0.074(3) Uani 1 1 d . . .
H29A H 0.2137 -0.039 0.1363 0.089 Uiso 1 1 calc R . .
H29B H 0.2752 -0.0862 0.1948 0.089 Uiso 1 1 calc R . .
C30 C 0.2450(8) -0.1703(7) 0.0748(6) 0.081(3) Uani 1 1 d . . .
H30A H 0.2101 -0.2315 0.0949 0.097 Uiso 1 1 calc R . .
H30B H 0.1985 -0.1692 0.027 0.097 Uiso 1 1 calc R . .
C31 C 0.3465(10) -0.1729(10) 0.0538(9) 0.120(5) Uani 1 1 d . . .
H31A H 0.3407 -0.209 -0.005 0.144 Uiso 1 1 calc R . .
H31B H 0.3778 -0.2098 0.0873 0.144 Uiso 1 1 calc R . .
C32 C 0.4116(9) -0.0611(11) 0.0717(9) 0.129(5) Uani 1 1 d . . .
H32A H 0.4858 -0.0524 0.0922 0.154 Uiso 1 1 calc R . .
H32B H 0.4105 -0.0367 0.0212 0.154 Uiso 1 1 calc R . .
C33 C 0.7898(8) 0.1915(7) 0.1986(8) 0.092(4) Uani 1 1 d . . .
H33A H 0.7671 0.162 0.2448 0.11 Uiso 1 1 calc R . .
H33B H 0.7549 0.1381 0.1465 0.11 Uiso 1 1 calc R . .
C34 C 0.9026(7) 0.2186(7) 0.2029(6) 0.069(3) Uani 1 1 d . . .
H34A H 0.9334 0.1999 0.2499 0.082 Uiso 1 1 calc R . .
H34B H 0.9216 0.1806 0.1518 0.082 Uiso 1 1 calc R . .
C35 C 0.9414(7) 0.3292(8) 0.2132(8) 0.093(4) Uani 1 1 d . . .
H35A H 0.9962 0.3458 0.1777 0.111 Uiso 1 1 calc R . .
H35B H 0.973 0.3658 0.271 0.111 Uiso 1 1 calc R . .
C36 C 0.8504(7) 0.3626(7) 0.1901(7) 0.074(3) Uani 1 1 d . . .
H36A H 0.8565 0.4331 0.2251 0.089 Uiso 1 1 calc R . .
H36B H 0.8451 0.3643 0.1318 0.089 Uiso 1 1 calc R . .
C37 C 0.5410(9) 0.4514(9) 0.3108(7) 0.097(4) Uani 1 1 d . . .
H37A H 0.4784 0.3877 0.2938 0.116 Uiso 1 1 calc R . .
H37B H 0.5299 0.5038 0.2829 0.116 Uiso 1 1 calc R . .
C38 C 0.5609(16) 0.4953(12) 0.4019(10) 0.159(8) Uani 1 1 d . . .
H38A H 0.5512 0.4391 0.4305 0.19 Uiso 1 1 calc R . .
H38B H 0.5142 0.5378 0.4205 0.19 Uiso 1 1 calc R . .
C39 C 0.6739(17) 0.5620(10) 0.4152(8) 0.155(8) Uani 1 1 d . . .
H39A H 0.6814 0.6291 0.401 0.187 Uiso 1 1 calc R . .
H39B H 0.7078 0.5765 0.4724 0.187 Uiso 1 1 calc R . .
C40 C 0.7176(9) 0.4916(9) 0.3561(7) 0.096(4) Uani 1 1 d . . .
H40A H 0.7754 0.5338 0.333 0.115 Uiso 1 1 calc R . .
H40B H 0.7462 0.4479 0.3844 0.115 Uiso 1 1 calc R . .
Li1 Li 0.4302(9) 0.1367(11) 0.1945(8) 0.049(3) Uani 1 1 d . . .
Li2 Li 0.6253(9) 0.2919(10) 0.2238(8) 0.044(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 0 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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'
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
C12 Cu1 C1 172.8(3) . . ?
C24 Cu2 C13 173.9(3) . . ?
N3 Si1 C1 113.3(3) . . ?
N3 Si1 C3 106.5(4) . . ?
C1 Si1 C3 112.9(4) . . ?
N3 Si1 C2 105.9(4) . . ?
C1 Si1 C2 111.9(3) . . ?
C3 Si1 C2 105.7(4) . . ?
C1 Si2 C7 112.7(3) . . ?
C1 Si2 C8 114.2(3) . . ?
C7 Si2 C8 103.2(4) . . ?
C1 Si2 C6 114.0(3) . . ?
C7 Si2 C6 107.1(4) . . ?
C8 Si2 C6 104.7(4) . . ?
C10 Si3 C1 113.3(3) . . ?
C10 Si3 C11 105.8(4) . . ?
C1 Si3 C11 115.1(3) . . ?
C10 Si3 C9 104.0(4) . . ?
C1 Si3 C9 112.8(3) . . ?
C11 Si3 C9 104.9(4) . . ?
C10 Si3 Cu1 103.8(3) . . ?
N4 Si4 C13 112.7(3) . . ?
N4 Si4 C14 105.6(3) . . ?
C13 Si4 C14 112.4(3) . . ?
N4 Si4 C15 106.2(3) . . ?
C13 Si4 C15 112.6(3) . . ?
C14 Si4 C15 106.8(3) . . ?
C13 Si5 C19 115.1(3) . . ?
C13 Si5 C20 112.3(3) . . ?
C19 Si5 C20 103.7(4) . . ?
C13 Si5 C18 112.5(3) . . ?
C19 Si5 C18 105.0(4) . . ?
C20 Si5 C18 107.6(4) . . ?
C13 Si6 C21 112.2(3) . . ?
C13 Si6 C22 113.5(3) . . ?
C21 Si6 C22 104.4(4) . . ?
C13 Si6 C23 115.8(3) . . ?
C21 Si6 C23 106.1(4) . . ?
C22 Si6 C23 103.7(4) . . ?
C25 O1 C28 107.9(7) . . ?
C25 O1 Li1 125.0(6) . . ?
C28 O1 Li1 127.1(6) . . ?
C32 O2 C29 106.5(7) . . ?
C32 O2 Li1 127.5(7) . . ?
C29 O2 Li1 125.8(6) . . ?
C36 O3 C33 107.6(6) . . ?
C36 O3 Li2 130.5(6) . . ?
C33 O3 Li2 121.9(6) . . ?
C37 O4 C40 108.5(8) . . ?
C37 O4 Li2 120.1(7) . . ?
C40 O4 Li2 126.2(6) . . ?
C12 N1 Li2 155.4(7) . . ?
C12 N1 Li1 116.0(6) . . ?
Li2 N1 Li1 84.3(5) . . ?
C24 N2 Li1 155.8(7) . . ?
C24 N2 Li2 119.1(6) . . ?
Li1 N2 Li2 83.5(5) . . ?
C5 N3 C4 110.0(7) . . ?
C5 N3 Si1 121.5(6) . . ?
C4 N3 Si1 123.5(6) . . ?
C16 N4 C17 112.2(6) . . ?
C16 N4 Si4 120.8(5) . . ?
C17 N4 Si4 126.3(5) . . ?
Si1 C1 Si2 115.9(3) . . ?
Si1 C1 Si3 113.2(4) . . ?
Si2 C1 Si3 114.1(4) . . ?
Si1 C1 Cu1 110.4(3) . . ?
Si2 C1 Cu1 101.9(3) . . ?
Si3 C1 Cu1 99.3(3) . . ?
N1 C12 Cu1 175.3(6) . . ?
Si6 C13 Si5 114.4(3) . . ?
Si6 C13 Si4 112.1(3) . . ?
Si5 C13 Si4 114.6(3) . . ?
Si6 C13 Cu2 102.2(3) . . ?
Si5 C13 Cu2 105.3(3) . . ?
Si4 C13 Cu2 106.8(3) . . ?
N2 C24 Cu2 175.2(7) . . ?
O1 C25 C26 107.3(9) . . ?
C27 C26 C25 107.5(11) . . ?
C26 C27 C28 109.7(10) . . ?
O1 C28 C27 106.3(8) . . ?
O2 C29 C30 108.9(8) . . ?
C31 C30 C29 103.3(9) . . ?
C30 C31 C32 105.0(9) . . ?
O2 C32 C31 107.7(9) . . ?
C34 C33 O3 108.1(8) . . ?
C35 C34 C33 106.7(8) . . ?
C34 C35 C36 107.1(8) . . ?
O3 C36 C35 104.2(7) . . ?
O4 C37 C38 103.5(10) . . ?
C37 C38 C39 101.4(11) . . ?
C40 C39 C38 100.1(11) . . ?
O4 C40 C39 107.5(11) . . ?
O2 Li1 O1 109.2(6) . . ?
O2 Li1 N2 118.9(7) . . ?
O1 Li1 N2 105.1(7) . . ?
O2 Li1 N1 116.7(7) . . ?
O1 Li1 N1 110.1(7) . . ?
N2 Li1 N1 95.7(6) . . ?
O2 Li1 Li2 138.0(7) . . ?
O1 Li1 Li2 112.8(7) . . ?
N2 Li1 Li2 50.0(4) . . ?
N1 Li1 Li2 46.0(4) . . ?
O3 Li2 O4 111.0(6) . . ?
O3 Li2 N1 120.5(7) . . ?
O4 Li2 N1 109.7(6) . . ?
O3 Li2 N2 108.1(6) . . ?
O4 Li2 N2 110.4(7) . . ?
N1 Li2 N2 96.0(5) . . ?
O3 Li2 Li1 131.5(7) . . ?
O4 Li2 Li1 116.6(6) . . ?
N1 Li2 Li1 49.7(4) . . ?
N2 Li2 Li1 46.5(4) . . ?
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
Cu1 C12 1.870(7) . ?
Cu1 C1 1.941(6) . ?
Cu2 C24 1.843(7) . ?
Cu2 C13 1.922(6) . ?
Si1 N3 1.719(7) . ?
Si1 C1 1.832(7) . ?
Si1 C3 1.873(8) . ?
Si1 C2 1.892(8) . ?
Si2 C1 1.846(7) . ?
Si2 C7 1.870(8) . ?
Si2 C8 1.871(8) . ?
Si2 C6 1.875(7) . ?
Si3 C10 1.865(8) . ?
Si3 C1 1.868(7) . ?
Si3 C11 1.878(8) . ?
Si3 C9 1.889(8) . ?
Si4 N4 1.731(6) . ?
Si4 C13 1.866(6) . ?
Si4 C14 1.875(7) . ?
Si4 C15 1.885(7) . ?
Si5 C13 1.857(6) . ?
Si5 C19 1.871(8) . ?
Si5 C20 1.871(7) . ?
Si5 C18 1.889(8) . ?
Si6 C13 1.849(7) . ?
Si6 C21 1.865(8) . ?
Si6 C22 1.865(8) . ?
Si6 C23 1.875(8) . ?
O1 C25 1.423(10) . ?
O1 C28 1.425(10) . ?
O1 Li1 1.923(14) . ?
O2 C32 1.413(11) . ?
O2 C29 1.422(10) . ?
O2 Li1 1.869(15) . ?
O3 C36 1.427(9) . ?
O3 C33 1.436(10) . ?
O3 Li2 1.892(13) . ?
O4 C37 1.411(11) . ?
O4 C40 1.413(11) . ?
O4 Li2 1.923(14) . ?
N1 C12 1.135(8) . ?
N1 Li2 2.012(12) . ?
N1 Li1 2.133(14) . ?
N2 C24 1.151(8) . ?
N2 Li1 2.032(13) . ?
N2 Li2 2.144(14) . ?
N3 C5 1.433(10) . ?
N3 C4 1.458(10) . ?
N4 C16 1.439(9) . ?
N4 C17 1.445(8) . ?
C25 C26 1.437(15) . ?
C26 C27 1.387(17) . ?
C27 C28 1.431(15) . ?
C29 C30 1.475(12) . ?
C30 C31 1.432(14) . ?
C31 C32 1.484(16) . ?
C33 C34 1.435(12) . ?
C34 C35 1.427(13) . ?
C35 C36 1.477(12) . ?
C37 C38 1.493(17) . ?
C38 C39 1.49(2) . ?
C39 C40 1.494(16) . ?
Li1 Li2 2.782(17) . ?
