#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:23:13 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179893 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/89/7018900.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_7018900
loop_
_publ_author_name
'Harford, Philip J.'
'Haywood, Joanna'
'Smith, Matthew R.'
'Bhawal, Benjamin N.'
'Raithby, Paul R.'
'Uchiyama, Masanobu'
'Wheatley, Andrew E. H.'
_publ_section_title
;
 Expanding the tools available for direct ortho cupration -- targeting
 lithium phosphidocuprates
;
_journal_issue                   20
_journal_name_full               'Dalton Transactions'
_journal_page_first              6148
_journal_paper_doi               10.1039/c2dt12415g
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C42 H52 Cu2 Li2 N2 O4 P2'
_chemical_formula_sum            'C42 H52 Cu2 Li2 N2 O4 P2'
_chemical_formula_weight         851.76
_chemical_name_systematic
;
?
;
_space_group_IT_number           143
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3'
_symmetry_space_group_name_H-M   'P 3'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   18.3517(3)
_cell_length_b                   18.3517(3)
_cell_length_c                   14.0350(4)
_cell_measurement_reflns_used    11000
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      1.00
_cell_volume                     4093.51(15)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius B.V. 1998)'
_computing_data_reduction
;
HKL Denzo and Scalepack (Otwinowski & Minor 1997)
;
_computing_publication_material  'SHELXL-97 (Sheldrick 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick 1997)'
_computing_structure_solution    'SIR-92 (Altomare et al. 1994)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'Thin slice ω and φ scans'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0318
_diffrn_reflns_av_sigmaI/netI    0.0562
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            17038
_diffrn_reflns_theta_full        26.34
_diffrn_reflns_theta_max         26.34
_diffrn_reflns_theta_min         3.66
_exptl_absorpt_coefficient_mu    0.870
_exptl_absorpt_correction_T_max  0.916
_exptl_absorpt_correction_T_min  0.812
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.037
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1332
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.805
_refine_diff_density_min         -0.414
_refine_diff_density_rms         0.129
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         8002
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0865
_refine_ls_R_factor_gt           0.0690
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1372P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1894
_refine_ls_wR_factor_ref         0.1984
_reflns_number_gt                5957
_reflns_number_total             8002
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt12415g.txt
_cod_data_source_block           d:\crysta~1\aw1103\aw1103
_cod_original_cell_volume        4093.50(15)
_cod_database_code               7018900
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, 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
Cu2 Cu 0.40939(5) 0.78670(5) 0.76068(6) 0.0520(2) Uani 1 1 d . . .
P2 P 0.47364(11) 0.71781(12) 0.70349(14) 0.0516(4) Uani 1 1 d . . .
C15 C 0.4930(5) 0.7436(5) 0.5750(6) 0.0569(18) Uani 1 1 d . . .
Cu1 Cu 0.62265(5) 1.21325(5) 1.15533(6) 0.0521(3) Uani 1 1 d . . .
P1 P 0.52622(12) 1.24416(12) 1.21276(14) 0.0514(4) Uani 1 1 d . . .
C20 C 0.5413(6) 0.8282(5) 0.5475(6) 0.070(2) Uani 1 1 d . . .
H20A H 0.5674 0.8709 0.5944 0.084 Uiso 1 1 calc R . .
C19 C 0.5509(7) 0.8492(7) 0.4513(8) 0.091(3) Uani 1 1 d . . .
H19A H 0.5850 0.9062 0.4321 0.110 Uiso 1 1 calc R . .
C18 C 0.5101(7) 0.7861(8) 0.3830(7) 0.091(3) Uani 1 1 d . . .
H18A H 0.5145 0.7995 0.3172 0.109 Uiso 1 1 calc R . .
C17 C 0.4646(6) 0.7061(7) 0.4124(7) 0.082(3) Uani 1 1 d . . .
H17A H 0.4362 0.6630 0.3663 0.098 Uiso 1 1 calc R . .
C16 C 0.4577(5) 0.6845(6) 0.5062(6) 0.066(2) Uani 1 1 d . . .
H16A H 0.4276 0.6268 0.5236 0.079 Uiso 1 1 calc R . .
C21 C 0.5786(4) 0.7553(4) 0.7533(6) 0.0527(17) Uani 1 1 d . . .
C26 C 0.6521(5) 0.7831(5) 0.7010(7) 0.065(2) Uani 1 1 d . . .
H26A H 0.6503 0.7871 0.6336 0.077 Uiso 1 1 calc R . .
C25 C 0.7281(5) 0.8053(6) 0.7452(9) 0.081(3) Uani 1 1 d . . .
H25A H 0.7775 0.8258 0.7074 0.098 Uiso 1 1 calc R . .
C24 C 0.7340(5) 0.7985(6) 0.8409(7) 0.074(2) Uani 1 1 d . . .
H24A H 0.7860 0.8129 0.8705 0.089 Uiso 1 1 calc R . .
C23 C 0.6615(5) 0.7700(5) 0.8932(7) 0.066(2) Uani 1 1 d . . .
H23A H 0.6635 0.7646 0.9603 0.079 Uiso 1 1 calc R . .
C22 C 0.5855(5) 0.7490(5) 0.8502(6) 0.062(2) Uani 1 1 d . . .
H22A H 0.5368 0.7296 0.8887 0.075 Uiso 1 1 calc R . .
C9 C 0.5064(5) 1.2506(4) 1.3394(6) 0.0573(18) Uani 1 1 d . . .
C14 C 0.4585(5) 1.2868(5) 1.3693(6) 0.068(2) Uani 1 1 d . . .
H14A H 0.4328 1.3043 1.3229 0.081 Uiso 1 1 calc R . .
C13 C 0.4482(6) 1.2974(6) 1.4644(7) 0.081(3) Uani 1 1 d . . .
H13A H 0.4132 1.3194 1.4830 0.097 Uiso 1 1 calc R . .
C12 C 0.4884(7) 1.2762(8) 1.5328(7) 0.093(3) Uani 1 1 d . . .
H12A H 0.4835 1.2854 1.5985 0.112 Uiso 1 1 calc R . .
C11 C 0.5351(6) 1.2418(7) 1.5038(7) 0.083(3) Uani 1 1 d . . .
H11A H 0.5635 1.2277 1.5505 0.099 Uiso 1 1 calc R . .
C10 C 0.5430(5) 1.2268(6) 1.4107(6) 0.065(2) Uani 1 1 d . . .
H10A H 0.5739 1.1997 1.3941 0.079 Uiso 1 1 calc R . .
C3 C 0.4206(5) 1.1758(4) 1.1633(6) 0.0535(17) Uani 1 1 d . . .
C8 C 0.4137(5) 1.1613(5) 1.0650(6) 0.0606(19) Uani 1 1 d . . .
H8A H 0.4624 1.1894 1.0261 0.073 Uiso 1 1 calc R . .
C7 C 0.3374(5) 1.1072(5) 1.0234(7) 0.069(2) Uani 1 1 d . . .
H7A H 0.3342 1.0994 0.9563 0.082 Uiso 1 1 calc R . .
C6 C 0.2673(5) 1.0650(6) 1.0763(8) 0.079(3) Uani 1 1 d . . .
H6A H 0.2153 1.0270 1.0469 0.094 Uiso 1 1 calc R . .
C5 C 0.2714(5) 1.0773(5) 1.1736(8) 0.074(2) Uani 1 1 d . . .
H5A H 0.2219 1.0489 1.2113 0.088 Uiso 1 1 calc R . .
C4 C 0.3478(5) 1.1311(5) 1.2163(7) 0.065(2) Uani 1 1 d . . .
H4A H 0.3503 1.1376 1.2836 0.078 Uiso 1 1 calc R . .
N2 N 0.4874(5) 0.9011(6) 0.9347(6) 0.092(2) Uani 1 1 d . A .
C2 C 0.4535(5) 0.8557(6) 0.8744(7) 0.068(2) Uani 1 1 d . . .
N1 N 0.5873(6) 1.0994(6) 0.9808(6) 0.094(3) Uani 1 1 d . A .
C1 C 0.5991(5) 1.1452(6) 1.0433(6) 0.068(2) Uani 1 1 d . A .
O1 O 0.5153(5) 1.0473(5) 0.7630(6) 0.105(2) Uani 1 1 d . . .
O3 O 0.4679(5) 0.9519(5) 1.1543(6) 0.100(2) Uani 1 1 d . A .
C30 C 0.5092(8) 1.0125(8) 0.6710(9) 0.111(4) Uani 1 1 d . . .
H30A H 0.4953 0.9531 0.6757 0.133 Uiso 1 1 calc R . .
H30B H 0.5629 1.0447 0.6358 0.133 Uiso 1 1 calc R . .
C35 C 0.4978(9) 0.9889(8) 1.2453(9) 0.109(4) Uani 1 1 d . . .
H35A H 0.5416 1.0489 1.2389 0.131 Uiso 1 1 calc R . .
H35B H 0.5217 0.9590 1.2804 0.131 Uiso 1 1 calc R . .
O2 O 0.6713(5) 1.0398(6) 0.8212(9) 0.143(4) Uani 1 1 d . . .
C38 C 0.3895(7) 0.9511(8) 1.1317(11) 0.106(4) Uani 1 1 d . . .
H38A H 0.3553 0.9070 1.0845 0.128 Uiso 1 1 calc R . .
H38B H 0.4002 1.0065 1.1082 0.128 Uiso 1 1 calc R . .
C29 C 0.4395(9) 1.0188(9) 0.6215(9) 0.113(4) Uani 1 1 d . . .
H29A H 0.4589 1.0469 0.5590 0.135 Uiso 1 1 calc R . .
H29B H 0.3903 0.9621 0.6112 0.135 Uiso 1 1 calc R . .
C37 C 0.3474(9) 0.9305(9) 1.2318(10) 0.118(4) Uani 1 1 d . . .
H37A H 0.3057 0.9496 1.2377 0.141 Uiso 1 1 calc R . .
H37B H 0.3197 0.8696 1.2459 0.141 Uiso 1 1 calc R . .
C36 C 0.4222(9) 0.9805(9) 1.2954(9) 0.106(3) Uani 1 1 d . . .
H36A H 0.4293 1.0368 1.3080 0.127 Uiso 1 1 calc R . .
H36B H 0.4143 0.9512 1.3570 0.127 Uiso 1 1 calc R . .
C27 C 0.4407(7) 1.0506(8) 0.7802(9) 0.098(3) Uani 1 1 d . . .
H27A H 0.4513 1.0963 0.8255 0.118 Uiso 1 1 calc R . .
H27B H 0.3956 0.9965 0.8060 0.118 Uiso 1 1 calc R . .
C28 C 0.4175(8) 1.0679(9) 0.6836(11) 0.116(4) Uani 1 1 d . . .
H28A H 0.3567 1.0488 0.6797 0.139 Uiso 1 1 calc R . .
H28B H 0.4503 1.1285 0.6678 0.139 Uiso 1 1 calc R . .
Li2 Li 0.5413(14) 0.9758(15) 1.043(2) 0.139(10) Uani 1 1 d . . .
Li1 Li 0.5615(14) 1.0224(16) 0.870(2) 0.130(9) Uani 1 1 d . A .
O4 O 0.6324(6) 0.9628(5) 1.0905(7) 0.120(3) Uiso 0.50 1 d PD A 1
C39 C 0.6984(14) 1.0213(14) 1.1488(17) 0.104(5) Uiso 0.50 1 d PD A 1
H39A H 0.6817 1.0581 1.1825 0.124 Uiso 0.50 1 calc PR A 1
H39B H 0.7494 1.0569 1.1104 0.124 Uiso 0.50 1 calc PR A 1
C40 C 0.714(3) 0.9708(19) 1.216(2) 0.179(11) Uiso 0.50 1 d PD A 1
H40A H 0.6786 0.9591 1.2735 0.215 Uiso 0.50 1 calc PR A 1
H40B H 0.7737 0.9996 1.2351 0.215 Uiso 0.50 1 calc PR A 1
C41 C 0.6910(16) 0.8926(14) 1.1645(19) 0.112(6) Uiso 0.50 1 d PD A 1
H41A H 0.7387 0.8982 1.1259 0.135 Uiso 0.50 1 calc PR A 1
H41B H 0.6727 0.8447 1.2090 0.135 Uiso 0.50 1 calc PR A 1
C42 C 0.6217(9) 0.8819(9) 1.1039(12) 0.132(5) Uiso 0.50 1 d PD A 1
H42A H 0.6233 0.8569 1.0420 0.158 Uiso 0.50 1 calc PR A 1
H42B H 0.5670 0.8445 1.1350 0.158 Uiso 0.50 1 calc PR A 1
C31 C 0.6703(18) 0.9762(19) 0.761(2) 0.111(6) Uiso 0.50 1 d PD B 1
H31A H 0.6257 0.9565 0.7119 0.133 Uiso 0.50 1 calc PR B 1
H31B H 0.6646 0.9276 0.7980 0.133 Uiso 0.50 1 calc PR B 1
C32 C 0.7545(18) 1.0271(19) 0.721(3) 0.168(10) Uiso 0.50 1 d PD B 1
H32A H 0.7868 0.9981 0.7329 0.202 Uiso 0.50 1 calc PR B 1
H32B H 0.7491 1.0297 0.6508 0.202 Uiso 0.50 1 calc PR B 1
C33 C 0.8028(18) 1.1127(17) 0.757(2) 0.113(6) Uiso 0.50 1 d PD B 1
H33A H 0.8301 1.1544 0.7052 0.136 Uiso 0.50 1 calc PR B 1
H33B H 0.8455 1.1188 0.8043 0.136 Uiso 0.50 1 calc PR B 1
C34 C 0.7327(17) 1.1186(19) 0.802(2) 0.107(5) Uiso 0.50 1 d PD B 1
H34A H 0.7521 1.1523 0.8607 0.128 Uiso 0.50 1 calc PR B 1
H34B H 0.7117 1.1460 0.7573 0.128 Uiso 0.50 1 calc PR B 1
O4' O 0.6324(6) 0.9628(5) 1.0905(7) 0.120(3) Uiso 0.50 1 d PD A 2
C39' C 0.7161(11) 1.0254(13) 1.1110(19) 0.104(5) Uiso 0.50 1 d PD A 2
H39C H 0.7183 1.0743 1.1436 0.124 Uiso 0.50 1 calc PR A 2
H39D H 0.7508 1.0448 1.0525 0.124 Uiso 0.50 1 calc PR A 2
C40' C 0.744(2) 0.9781(19) 1.177(3) 0.179(11) Uiso 0.50 1 d PD A 2
H40C H 0.7140 0.9623 1.2382 0.215 Uiso 0.50 1 calc PR A 2
H40D H 0.8060 1.0083 1.1875 0.215 Uiso 0.50 1 calc PR A 2
C41' C 0.7149(13) 0.9034(14) 1.108(2) 0.112(6) Uiso 0.50 1 d PD A 2
H41C H 0.7212 0.8571 1.1352 0.135 Uiso 0.50 1 calc PR A 2
H41D H 0.7431 0.9203 1.0453 0.135 Uiso 0.50 1 calc PR A 2
C42' C 0.6217(9) 0.8819(9) 1.1039(12) 0.132(5) Uiso 0.50 1 d PD A 2
H42C H 0.5913 0.8441 1.0499 0.158 Uiso 0.50 1 calc PR A 2
H42D H 0.5917 0.8561 1.1641 0.158 Uiso 0.50 1 calc PR A 2
C31' C 0.6898(17) 0.9743(19) 0.794(2) 0.111(6) Uiso 0.50 1 d PD B 2
H31C H 0.6859 0.9660 0.7244 0.133 Uiso 0.50 1 calc PR B 2
H31D H 0.6504 0.9203 0.8255 0.133 Uiso 0.50 1 calc PR B 2
C32' C 0.7769(17) 1.0059(18) 0.828(3) 0.168(10) Uiso 0.50 1 d PD B 2
H32C H 0.7772 0.9924 0.8961 0.202 Uiso 0.50 1 calc PR B 2
H32D H 0.8044 0.9805 0.7908 0.202 Uiso 0.50 1 calc PR B 2
C33' C 0.8204(17) 1.0976(15) 0.813(2) 0.113(6) Uiso 0.50 1 d PD B 2
H33C H 0.8419 1.1125 0.7475 0.136 Uiso 0.50 1 calc PR B 2
H33D H 0.8681 1.1268 0.8584 0.136 Uiso 0.50 1 calc PR B 2
C34' C 0.7539(17) 1.1205(18) 0.833(2) 0.107(5) Uiso 0.50 1 d PD B 2
H34C H 0.7596 1.1431 0.8980 0.128 Uiso 0.50 1 calc PR B 2
H34D H 0.7582 1.1634 0.7867 0.128 Uiso 0.50 1 calc PR B 2
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'
P P 0.1023 0.0942 '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'
O O 0.0106 0.0060 '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
C2 Cu2 P2 119.8(2) . 2_665
C2 Cu2 P2 119.4(2) . .
P2 Cu2 P2 119.74(10) 2_665 .
C21 P2 C15 104.2(4) . .
C21 P2 Cu2 112.7(3) . 3_565
C15 P2 Cu2 124.2(3) . 3_565
C21 P2 Cu2 113.5(2) . .
C15 P2 Cu2 106.8(2) . .
Cu2 P2 Cu2 95.40(8) 3_565 .
C16 C15 C20 118.4(8) . .
C16 C15 P2 122.4(6) . .
C20 C15 P2 119.1(6) . .
C1 Cu1 P1 120.4(3) . .
C1 Cu1 P1 118.9(3) . 2_775
P1 Cu1 P1 119.69(10) . 2_775
C9 P1 C3 103.6(4) . .
C9 P1 Cu1 124.6(3) . .
C3 P1 Cu1 112.6(3) . .
C9 P1 Cu1 106.8(2) . 3_575
C3 P1 Cu1 113.9(2) . 3_575
Cu1 P1 Cu1 95.31(8) . 3_575
C19 C20 C15 119.8(8) . .
C19 C20 H20A 120.1 . .
C15 C20 H20A 120.1 . .
C20 C19 C18 119.6(10) . .
C20 C19 H19A 120.2 . .
C18 C19 H19A 120.2 . .
C17 C18 C19 118.7(10) . .
C17 C18 H18A 120.7 . .
C19 C18 H18A 120.7 . .
C18 C17 C16 122.1(10) . .
C18 C17 H17A 118.9 . .
C16 C17 H17A 118.9 . .
C15 C16 C17 121.3(9) . .
C15 C16 H16A 119.3 . .
C17 C16 H16A 119.3 . .
C22 C21 C26 116.0(7) . .
C22 C21 P2 118.1(6) . .
C26 C21 P2 125.6(6) . .
C21 C26 C25 121.4(9) . .
C21 C26 H26A 119.3 . .
C25 C26 H26A 119.3 . .
C24 C25 C26 121.9(9) . .
C24 C25 H25A 119.1 . .
C26 C25 H25A 119.1 . .
C25 C24 C23 117.3(8) . .
C25 C24 H24A 121.4 . .
C23 C24 H24A 121.4 . .
C24 C23 C22 121.4(9) . .
C24 C23 H23A 119.3 . .
C22 C23 H23A 119.3 . .
C21 C22 C23 122.0(7) . .
C21 C22 H22A 119.0 . .
C23 C22 H22A 119.0 . .
C10 C9 C14 116.6(8) . .
C10 C9 P1 122.4(6) . .
C14 C9 P1 120.8(6) . .
C13 C14 C9 121.3(8) . .
C13 C14 H14A 119.3 . .
C9 C14 H14A 119.3 . .
C14 C13 C12 120.2(9) . .
C14 C13 H13A 119.9 . .
C12 C13 H13A 119.9 . .
C11 C12 C13 118.3(10) . .
C11 C12 H12A 120.8 . .
C13 C12 H12A 120.8 . .
C12 C11 C10 122.7(10) . .
C12 C11 H11A 118.7 . .
C10 C11 H11A 118.7 . .
C11 C10 C9 120.7(9) . .
C11 C10 H10A 119.7 . .
C9 C10 H10A 119.7 . .
C4 C3 C8 116.6(7) . .
C4 C3 P1 125.3(7) . .
C8 C3 P1 117.8(6) . .
C7 C8 C3 121.2(8) . .
C7 C8 H8A 119.4 . .
C3 C8 H8A 119.4 . .
C6 C7 C8 121.1(9) . .
C6 C7 H7A 119.5 . .
C8 C7 H7A 119.5 . .
C7 C6 C5 119.6(8) . .
C7 C6 H6A 120.2 . .
C5 C6 H6A 120.2 . .
C6 C5 C4 119.9(8) . .
C6 C5 H5A 120.1 . .
C4 C5 H5A 120.1 . .
C5 C4 C3 121.6(9) . .
C5 C4 H4A 119.2 . .
C3 C4 H4A 119.2 . .
C2 N2 Li2 177.0(13) . .
C2 N2 Li1 106.0(10) . .
Li2 N2 Li1 76.6(11) . .
N2 C2 Cu2 172.0(9) . .
N2 C2 Li1 50.1(9) . .
Cu2 C2 Li1 123.4(8) . .
C1 N1 Li1 176.3(11) . .
C1 N1 Li2 106.6(11) . .
Li1 N1 Li2 75.2(11) . .
N1 C1 Cu1 173.3(9) . .
N1 C1 Li2 49.5(9) . .
Cu1 C1 Li2 124.9(8) . .
C30 O1 C27 108.3(9) . .
C30 O1 Li1 123.8(10) . .
C27 O1 Li1 115.8(10) . .
C35 O3 C38 110.0(9) . .
C35 O3 Li2 123.3(10) . .
C38 O3 Li2 113.1(11) . .
O1 C30 C29 105.2(10) . .
O1 C30 H30A 110.7 . .
C29 C30 H30A 110.7 . .
O1 C30 H30B 110.7 . .
C29 C30 H30B 110.7 . .
H30A C30 H30B 108.8 . .
O3 C35 C36 104.9(10) . .
O3 C35 H35A 110.8 . .
C36 C35 H35A 110.8 . .
O3 C35 H35B 110.8 . .
C36 C35 H35B 110.8 . .
H35A C35 H35B 108.8 . .
C34 O2 C31 114.7(19) . .
C34 O2 C31' 114.8(17) . .
C31 O2 C31' 23.9(17) . .
C34 O2 C34' 22.3(18) . .
C31 O2 C34' 117.4(16) . .
C31' O2 C34' 107.7(17) . .
C34 O2 Li1 118.6(15) . .
C31 O2 Li1 118.0(14) . .
C31' O2 Li1 126.2(15) . .
C34' O2 Li1 124.1(12) . .
O3 C38 C37 100.0(10) . .
O3 C38 H38A 111.8 . .
C37 C38 H38A 111.8 . .
O3 C38 H38B 111.8 . .
C37 C38 H38B 111.8 . .
H38A C38 H38B 109.5 . .
C28 C29 C30 106.4(11) . .
C28 C29 H29A 110.5 . .
C30 C29 H29A 110.5 . .
C28 C29 H29B 110.5 . .
C30 C29 H29B 110.5 . .
H29A C29 H29B 108.6 . .
C36 C37 C38 101.3(11) . .
C36 C37 H37A 111.5 . .
C38 C37 H37A 111.5 . .
C36 C37 H37B 111.5 . .
C38 C37 H37B 111.5 . .
H37A C37 H37B 109.3 . .
C35 C36 C37 107.5(11) . .
C35 C36 H36A 110.2 . .
C37 C36 H36A 110.2 . .
C35 C36 H36B 110.2 . .
C37 C36 H36B 110.2 . .
H36A C36 H36B 108.5 . .
O1 C27 C28 103.6(9) . .
O1 C27 H27A 111.0 . .
C28 C27 H27A 111.0 . .
O1 C27 H27B 111.0 . .
C28 C27 H27B 111.0 . .
H27A C27 H27B 109.0 . .
C29 C28 C27 102.5(11) . .
C29 C28 H28A 111.3 . .
C27 C28 H28A 111.3 . .
C29 C28 H28B 111.3 . .
C27 C28 H28B 111.3 . .
H28A C28 H28B 109.2 . .
O4 Li2 N2 110.3(10) . .
O4 Li2 O3 104.0(17) . .
N2 Li2 O3 114.4(12) . .
O4 Li2 N1 111.2(12) . .
N2 Li2 N1 102.4(15) . .
O3 Li2 N1 114.8(9) . .
O4 Li2 Li1 112.4(14) . .
N2 Li2 Li1 55.1(10) . .
O3 Li2 Li1 143.5(13) . .
N1 Li2 Li1 49.3(9) . .
O4 Li2 C1 105.9(9) . .
N2 Li2 C1 124.7(16) . .
O3 Li2 C1 95.0(7) . .
N1 Li2 C1 23.9(3) . .
Li1 Li2 C1 73.2(10) . .
O1 Li1 O2 103.3(15) . .
O1 Li1 N1 115.1(12) . .
O2 Li1 N1 106.8(10) . .
O1 Li1 N2 117.4(10) . .
O2 Li1 N2 112.1(12) . .
N1 Li1 N2 101.8(14) . .
O1 Li1 Li2 146.4(13) . .
O2 Li1 Li2 110.3(12) . .
N1 Li1 Li2 55.5(9) . .
N2 Li1 Li2 48.3(8) . .
O1 Li1 C2 97.5(8) . .
O2 Li1 C2 107.6(9) . .
N1 Li1 C2 124.4(15) . .
N2 Li1 C2 23.9(4) . .
Li2 Li1 C2 72.2(10) . .
C42 O4 C39 109.8(14) . .
C42 O4 Li2 120.4(11) . .
C39 O4 Li2 125.1(14) . .
O4 C39 C40 104.9(15) . .
O4 C39 H39A 110.7 . .
C40 C39 H39A 110.8 . .
O4 C39 H39B 110.8 . .
C40 C39 H39B 110.8 . .
H39A C39 H39B 108.8 . .
C39 C40 C41 104.9(17) . .
C39 C40 H40A 110.8 . .
C41 C40 H40A 110.8 . .
C39 C40 H40B 110.8 . .
C41 C40 H40B 110.8 . .
H40A C40 H40B 108.9 . .
C42 C41 C40 102.8(13) . .
C42 C41 H41A 111.2 . .
C40 C41 H41A 111.2 . .
C42 C41 H41B 111.2 . .
C40 C41 H41B 111.2 . .
H41A C41 H41B 109.1 . .
O4 C42 C41 106.5(12) . .
O4 C42 H42A 110.4 . .
C41 C42 H42A 110.4 . .
O4 C42 H42B 110.4 . .
C41 C42 H42B 110.4 . .
H42A C42 H42B 108.6 . .
O2 C31 C32 97(2) . .
O2 C31 H31A 112.3 . .
C32 C31 H31A 112.3 . .
O2 C31 H31B 112.3 . .
C32 C31 H31B 112.3 . .
H31A C31 H31B 109.9 . .
C33 C32 C31 116(3) . .
C33 C32 H32A 108.4 . .
C31 C32 H32A 108.4 . .
C33 C32 H32B 108.4 . .
C31 C32 H32B 108.4 . .
H32A C32 H32B 107.5 . .
C32 C33 C34 98(2) . .
C32 C33 H33A 112.1 . .
C34 C33 H33A 112.1 . .
C32 C33 H33B 112.1 . .
C34 C33 H33B 112.1 . .
H33A C33 H33B 109.7 . .
O2 C34 C33 107(2) . .
O2 C34 H34A 110.2 . .
C33 C34 H34A 110.2 . .
O2 C34 H34B 110.2 . .
C33 C34 H34B 110.2 . .
H34A C34 H34B 108.5 . .
C40' C39' H39C 111.4 . .
C40' C39' H39D 111.4 . .
H39C C39' H39D 109.3 . .
C39' C40' C41' 93.4(18) . .
C39' C40' H40C 113.0 . .
C41' C40' H40C 113.0 . .
C39' C40' H40D 113.0 . .
C41' C40' H40D 113.0 . .
H40C C40' H40D 110.4 . .
C40' C41' H41C 112.6 . .
C40' C41' H41D 112.6 . .
H41C C41' H41D 110.1 . .
O2 C31' C32' 104(2) . .
O2 C31' H31C 110.9 . .
C32' C31' H31C 110.9 . .
O2 C31' H31D 110.9 . .
C32' C31' H31D 110.9 . .
H31C C31' H31D 108.9 . .
C33' C32' C31' 105(3) . .
C33' C32' H32C 110.6 . .
C31' C32' H32C 110.6 . .
C33' C32' H32D 110.7 . .
C31' C32' H32D 110.7 . .
H32C C32' H32D 108.8 . .
C32' C33' C34' 104(2) . .
C32' C33' H33C 110.9 . .
C34' C33' H33C 110.9 . .
C32' C33' H33D 111.0 . .
C34' C33' H33D 111.0 . .
H33C C33' H33D 109.0 . .
O2 C34' C33' 105(2) . .
O2 C34' H34C 110.7 . .
C33' C34' H34C 110.7 . .
O2 C34' H34D 110.7 . .
C33' C34' H34D 110.7 . .
H34C C34' H34D 108.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu2 C2 1.945(9) .
Cu2 P2 2.256(2) 2_665
Cu2 P2 2.264(2) .
P2 C21 1.829(7) .
P2 C15 1.853(8) .
P2 Cu2 2.256(2) 3_565
C15 C16 1.352(11) .
C15 C20 1.402(12) .
Cu1 C1 1.919(9) .
Cu1 P1 2.260(2) .
Cu1 P1 2.265(2) 2_775
P1 C9 1.830(8) .
P1 C3 1.839(8) .
P1 Cu1 2.265(2) 3_575
C20 C19 1.391(13) .
C20 H20A 0.9500 .
C19 C18 1.398(15) .
C19 H19A 0.9500 .
C18 C17 1.340(15) .
C18 H18A 0.9500 .
C17 C16 1.363(13) .
C17 H17A 0.9500 .
C16 H16A 0.9500 .
C21 C22 1.376(11) .
C21 C26 1.389(11) .
C26 C25 1.389(13) .
C26 H26A 0.9500 .
C25 C24 1.359(14) .
C25 H25A 0.9500 .
C24 C23 1.373(13) .
C24 H24A 0.9500 .
C23 C22 1.386(12) .
C23 H23A 0.9500 .
C22 H22A 0.9500 .
C9 C10 1.392(11) .
C9 C14 1.405(12) .
C14 C13 1.376(12) .
C14 H14A 0.9500 .
C13 C12 1.381(15) .
C13 H13A 0.9500 .
C12 C11 1.356(15) .
C12 H12A 0.9500 .
C11 C10 1.358(13) .
C11 H11A 0.9500 .
C10 H10A 0.9500 .
C3 C4 1.384(11) .
C3 C8 1.399(11) .
C8 C7 1.377(12) .
C8 H8A 0.9500 .
C7 C6 1.345(13) .
C7 H7A 0.9500 .
C6 C5 1.381(13) .
C6 H6A 0.9500 .
C5 C4 1.383(12) .
C5 H5A 0.9500 .
C4 H4A 0.9500 .
N2 C2 1.131(10) .
N2 Li2 1.96(2) .
N2 Li1 2.15(3) .
C2 Li1 2.69(3) .
N1 C1 1.157(11) .
N1 Li1 2.00(2) .
N1 Li2 2.17(3) .
C1 Li2 2.74(3) .
O1 C30 1.420(14) .
O1 C27 1.422(13) .
O1 Li1 1.89(3) .
O3 C35 1.421(13) .
O3 C38 1.466(13) .
O3 Li2 1.96(3) .
C30 C29 1.510(19) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C35 C36 1.492(18) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
O2 C34 1.34(3) .
O2 C31 1.43(3) .
O2 C31' 1.45(3) .
O2 C34' 1.51(3) .
O2 Li1 1.99(2) .
C38 C37 1.556(19) .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C29 C28 1.448(18) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C37 C36 1.505(19) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C27 C28 1.501(18) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
Li2 O4 1.92(3) .
Li2 Li1 2.55(4) .
O4 C42 1.409(13) .
O4 C39 1.411(16) .
C39 C40 1.44(2) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 C41 1.47(2) .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 C42 1.459(19) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C31 C32 1.46(3) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 C33 1.46(3) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.48(3) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C39' C40' 1.52(2) .
C39' H39C 0.9900 .
C39' H39D 0.9900 .
C40' C41' 1.53(2) .
C40' H40C 0.9900 .
C40' H40D 0.9900 .
C41' H41C 0.9900 .
C41' H41D 0.9900 .
C31' C32' 1.48(3) .
C31' H31C 0.9900 .
C31' H31D 0.9900 .
C32' C33' 1.47(3) .
C32' H32C 0.9900 .
C32' H32D 0.9900 .
C33' C34' 1.50(3) .
C33' H33C 0.9900 .
C33' H33D 0.9900 .
C34' H34C 0.9900 .
C34' H34D 0.9900 .
