#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:11:56 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179366 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/63/4326364.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_4326364
loop_
_publ_author_name
'Rui Cao'
'Brian D. McCarthy'
'Stephen J. Lippard'
_publ_section_title
;
 Immobilization, Trapping, and Anion Exchange of Perrhenate Ion Using
 Copper-Based Tripodal Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9499
_journal_page_last               9507
_journal_paper_doi               10.1021/ic201172r
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C60 H60 Cl3 Cu3 F18 N10 P3'
_chemical_formula_weight         1653.06
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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            6
_cell_length_a                   23.6804(17)
_cell_length_b                   23.6804(17)
_cell_length_c                   30.596(5)
_cell_measurement_reflns_used    9858
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.28
_cell_measurement_theta_min      2.39
_cell_volume                     14858(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0584
_diffrn_reflns_av_sigmaI/netI    0.0318
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            84026
_diffrn_reflns_theta_full        26.44
_diffrn_reflns_theta_max         26.44
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    0.834
_exptl_absorpt_correction_T_max  0.9065
_exptl_absorpt_correction_T_min  0.8000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.108
_exptl_crystal_description       block
_exptl_crystal_F_000             5010
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.123
_refine_diff_density_min         -0.303
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         6807
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0778
_refine_ls_R_factor_gt           0.0558
_refine_ls_shift/su_max          0.024
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1015P)²+23.8827P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1680
_refine_ls_wR_factor_ref         0.1792
_reflns_number_gt                4904
_reflns_number_total             6807
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201172r_si_003.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               4326364
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
C1 C 0.69734(18) 0.29598(17) 0.04973(14) 0.0489(9) Uani 1 1 d .
H1A H 0.7447 0.3210 0.0558 0.059 Uiso 1 1 calc R
H1B H 0.6915 0.2901 0.0177 0.059 Uiso 1 1 calc R
C2 C 0.66833(17) 0.23026(17) 0.07138(15) 0.0497(10) Uani 1 1 d .
C3 C 0.6287(2) 0.17499(19) 0.04646(17) 0.0610(11) Uani 1 1 d .
H3 H 0.6226 0.1800 0.0163 0.073 Uiso 1 1 calc R
C4 C 0.5977(2) 0.1126(2) 0.0647(2) 0.0663(13) Uani 1 1 d .
H4 H 0.5718 0.0755 0.0470 0.080 Uiso 1 1 calc R
C5 C 0.60515(19) 0.10587(18) 0.10779(19) 0.0648(13) Uani 1 1 d .
H5 H 0.5832 0.0637 0.1206 0.078 Uiso 1 1 calc R
C6 C 0.64502(17) 0.16046(17) 0.13427(17) 0.0556(11) Uani 1 1 d .
H6 H 0.6495 0.1551 0.1646 0.067 Uiso 1 1 calc R
C7 C 0.67811(16) 0.22294(16) 0.11509(15) 0.0477(10) Uani 1 1 d .
C8 C 0.72365(17) 0.27856(17) 0.14467(14) 0.0474(9) Uani 1 1 d .
H8A H 0.7025 0.2728 0.1735 0.057 Uiso 1 1 calc R
H8B H 0.7305 0.3200 0.1321 0.057 Uiso 1 1 calc R
C9 C 0.81888(19) 0.31804(17) 0.19268(14) 0.0534(10) Uani 1 1 d .
H9A H 0.8088 0.3535 0.1971 0.064 Uiso 1 1 calc R
H9B H 0.8669 0.3377 0.1914 0.064 Uiso 1 1 calc R
C10 C 0.79193(18) 0.27049(19) 0.23026(15) 0.0545(10) Uani 1 1 d .
C11 C 0.7951(2) 0.2893(2) 0.27358(17) 0.0720(14) Uani 1 1 d .
H11 H 0.8153 0.3342 0.2809 0.086 Uiso 1 1 calc R
C12 C 0.7696(2) 0.2438(3) 0.30532(17) 0.0765(14) Uani 1 1 d .
H12 H 0.7711 0.2564 0.3350 0.092 Uiso 1 1 calc R
C13 C 0.7415(2) 0.1795(3) 0.29429(17) 0.0708(13) Uani 1 1 d .
H13 H 0.7229 0.1469 0.3163 0.085 Uiso 1 1 calc R
C14 C 0.74024(19) 0.1618(2) 0.25097(14) 0.0550(10) Uani 1 1 d .
H14 H 0.7208 0.1170 0.2435 0.066 Uiso 1 1 calc R
C15 C 0.83407(17) 0.31423(17) 0.11394(14) 0.0500(10) Uani 1 1 d .
H15A H 0.8798 0.3327 0.1238 0.060 Uiso 1 1 calc R
H15B H 0.8288 0.3503 0.1022 0.060 Uiso 1 1 calc R
C16 C 0.81938(16) 0.26451(19) 0.07874(14) 0.0506(10) Uani 1 1 d .
C17 C 0.8329(2) 0.2811(2) 0.03580(16) 0.0623(11) Uani 1 1 d .
H17 H 0.8526 0.3252 0.0266 0.075 Uiso 1 1 calc R
C18 C 0.8169(2) 0.2313(3) 0.00595(18) 0.0728(14) Uani 1 1 d .
H18 H 0.8265 0.2415 -0.0241 0.087 Uiso 1 1 calc R
C19 C 0.7877(2) 0.1681(3) 0.01914(16) 0.0659(12) Uani 1 1 d .
H19 H 0.7754 0.1339 -0.0015 0.079 Uiso 1 1 calc R
C20 C 0.77646(19) 0.1548(2) 0.06312(16) 0.0563(11) Uani 1 1 d .
H20 H 0.7569 0.1109 0.0727 0.068 Uiso 1 1 calc R
Cl1 Cl 0.75582(4) 0.08865(4) 0.16241(3) 0.0473(3) Uani 1 1 d .
Cu1 Cu 0.778823(19) 0.192943(18) 0.156960(16) 0.04157(17) Uani 1 1 d .
F1 F 0.59487(16) 0.04113(16) 0.20404(11) 0.0732(9) Uani 0.84 1 d P
F2 F 0.59036(14) 0.04908(15) 0.27712(11) 0.0703(8) Uani 0.84 1 d P
F3 F 0.50390(16) -0.03105(15) 0.24087(12) 0.0789(9) Uani 0.84 1 d P
F4 F 0.49745(14) 0.05350(16) 0.27015(11) 0.0736(9) Uani 0.84 1 d P
F5 F 0.50093(16) 0.04473(16) 0.19651(11) 0.0748(9) Uani 0.84 1 d P
F6 F 0.58719(14) 0.12417(14) 0.23392(11) 0.0662(8) Uani 0.84 1 d P
F7 F 0.6470(4) 0.2761(4) 0.2564(3) 0.119(3) Uani 0.48 1 d P
F8 F 0.7064(3) 0.3107(3) 0.32197(19) 0.0749(15) Uani 0.48 1 d P
N1 N 0.6667 0.3333 0.06545(19) 0.0447(12) Uani 1 3 d S
N2 N 0.78952(13) 0.28354(13) 0.15126(10) 0.0420(7) Uani 1 1 d .
N3 N 0.76590(13) 0.20690(14) 0.21970(11) 0.0441(7) Uani 1 1 d .
N4 N 0.79224(14) 0.20200(14) 0.09283(11) 0.0448(7) Uani 1 1 d .
P1 P 0.54564(7) 0.04660(7) 0.23715(5) 0.0585(4) Uani 0.84 1 d P
P2 P 0.6667 0.3333 0.29107(16) 0.0664(11) Uani 0.48 3 d SP
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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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'
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
N1 C1 C2 111.6(3) . .
N1 C1 H1A 109.3 . .
C2 C1 H1A 109.3 . .
N1 C1 H1B 109.3 . .
C2 C1 H1B 109.3 . .
H1A C1 H1B 108.0 . .
C7 C2 C3 119.2(4) . .
C7 C2 C1 122.5(3) . .
C3 C2 C1 118.3(4) . .
C2 C3 C4 121.7(5) . .
C2 C3 H3 119.1 . .
C4 C3 H3 119.1 . .
C5 C4 C3 119.0(4) . .
C5 C4 H4 120.5 . .
C3 C4 H4 120.5 . .
C4 C5 C6 121.2(4) . .
C4 C5 H5 119.4 . .
C6 C5 H5 119.4 . .
C7 C6 C5 119.2(4) . .
C7 C6 H6 120.4 . .
C5 C6 H6 120.4 . .
C2 C7 C6 119.6(4) . .
C2 C7 C8 124.0(3) . .
C6 C7 C8 116.4(4) . .
C7 C8 N2 113.8(3) . .
C7 C8 H8A 108.8 . .
N2 C8 H8A 108.8 . .
C7 C8 H8B 108.8 . .
N2 C8 H8B 108.8 . .
H8A C8 H8B 107.7 . .
N2 C9 C10 109.5(3) . .
N2 C9 H9A 109.8 . .
C10 C9 H9A 109.8 . .
N2 C9 H9B 109.8 . .
C10 C9 H9B 109.8 . .
H9A C9 H9B 108.2 . .
N3 C10 C11 120.5(4) . .
N3 C10 C9 115.9(4) . .
C11 C10 C9 123.6(4) . .
C12 C11 C10 120.1(5) . .
C12 C11 H11 120.0 . .
C10 C11 H11 120.0 . .
C11 C12 C13 119.1(5) . .
C11 C12 H12 120.4 . .
C13 C12 H12 120.4 . .
C12 C13 C14 119.9(5) . .
C12 C13 H13 120.0 . .
C14 C13 H13 120.0 . .
N3 C14 C13 120.8(4) . .
N3 C14 H14 119.6 . .
C13 C14 H14 119.6 . .
N2 C15 C16 109.9(3) . .
N2 C15 H15A 109.7 . .
C16 C15 H15A 109.7 . .
N2 C15 H15B 109.7 . .
C16 C15 H15B 109.7 . .
H15A C15 H15B 108.2 . .
N4 C16 C17 122.4(4) . .
N4 C16 C15 115.2(4) . .
C17 C16 C15 122.4(4) . .
C16 C17 C18 117.7(4) . .
C16 C17 H17 121.1 . .
C18 C17 H17 121.1 . .
C19 C18 C17 120.9(5) . .
C19 C18 H18 119.5 . .
C17 C18 H18 119.5 . .
C18 C19 C20 118.4(5) . .
C18 C19 H19 120.8 . .
C20 C19 H19 120.8 . .
N4 C20 C19 122.1(4) . .
N4 C20 H20 119.0 . .
C19 C20 H20 119.0 . .
Cu1 Cl1 Cu1 85.73(3) . 13_655
N4 Cu1 N3 164.38(12) . .
N4 Cu1 N2 82.68(12) . .
N3 Cu1 N2 81.76(12) . .
N4 Cu1 Cl1 97.45(9) . .
N3 Cu1 Cl1 97.88(9) . .
N2 Cu1 Cl1 174.06(8) . .
N4 Cu1 Cl1 91.17(9) . 13_655
N3 Cu1 Cl1 90.63(9) . 13_655
N2 Cu1 Cl1 91.66(8) . 13_655
Cl1 Cu1 Cl1 94.27(3) . 13_655
F8 F8 F8 99.5(5) 18_545 17
F8 F8 P2 85.6(3) 18_545 .
F8 F8 P2 85.6(3) 17 .
F8 F8 P2 49.9(3) 18_545 16_655
F8 F8 P2 49.9(3) 17 16_655
P2 F8 P2 87.8(3) . 16_655
C1 N1 C1 109.9(3) . 3_665
C1 N1 C1 109.9(3) . 2_655
C1 N1 C1 109.9(3) 3_665 2_655
C15 N2 C9 111.6(3) . .
C15 N2 C8 112.9(3) . .
C9 N2 C8 109.7(3) . .
C15 N2 Cu1 105.5(2) . .
C9 N2 Cu1 106.5(2) . .
C8 N2 Cu1 110.3(2) . .
C14 N3 C10 119.5(4) . .
C14 N3 Cu1 127.1(3) . .
C10 N3 Cu1 113.1(3) . .
C20 N4 C16 118.5(4) . .
C20 N4 Cu1 128.2(3) . .
C16 N4 Cu1 113.3(3) . .
F4 P1 F6 88.98(18) . .
F4 P1 F1 178.9(2) . .
F6 P1 F1 89.95(17) . .
F4 P1 F3 90.58(18) . .
F6 P1 F3 179.5(2) . .
F1 P1 F3 90.48(18) . .
F4 P1 F2 90.38(19) . .
F6 P1 F2 89.39(17) . .
F1 P1 F2 89.49(18) . .
F3 P1 F2 90.29(18) . .
F4 P1 F5 89.85(19) . .
F6 P1 F5 90.13(17) . .
F1 P1 F5 90.27(19) . .
F3 P1 F5 90.20(19) . .
F2 P1 F5 179.5(2) . .
F7 P2 F7 80.6(6) . 2_655
F7 P2 F7 80.6(6) . 3_665
F7 P2 F7 80.6(6) 2_655 3_665
F7 P2 F8 94.5(4) . .
F7 P2 F8 95.8(4) 2_655 .
F7 P2 F8 174.4(5) 3_665 .
F7 P2 F8 95.8(4) . 3_665
F7 P2 F8 174.4(5) 2_655 3_665
F7 P2 F8 94.5(4) 3_665 3_665
F8 P2 F8 88.8(3) . 3_665
F7 P2 F8 174.4(5) . 2_655
F7 P2 F8 94.5(4) 2_655 2_655
F7 P2 F8 95.8(4) 3_665 2_655
F8 P2 F8 88.8(3) . 2_655
F8 P2 F8 88.8(3) 3_665 2_655
F7 P2 F8 139.6(4) . 16_655
F7 P2 F8 138.1(4) 2_655 16_655
F7 P2 F8 93.4(4) 3_665 16_655
F8 P2 F8 92.2(3) . 16_655
F8 P2 F8 44.52(16) 3_665 16_655
F8 P2 F8 44.52(16) 2_655 16_655
F7 P2 F8 138.1(4) . 18_545
F7 P2 F8 93.4(4) 2_655 18_545
F7 P2 F8 139.6(4) 3_665 18_545
F8 P2 F8 44.52(16) . 18_545
F8 P2 F8 92.2(3) 3_665 18_545
F8 P2 F8 44.53(16) 2_655 18_545
F8 P2 F8 64.9(3) 16_655 18_545
F7 P2 F8 93.4(4) . 17
F7 P2 F8 139.6(4) 2_655 17
F7 P2 F8 138.1(4) 3_665 17
F8 P2 F8 44.52(16) . 17
F8 P2 F8 44.53(16) 3_665 17
F8 P2 F8 92.2(3) 2_655 17
F8 P2 F8 64.9(3) 16_655 17
F8 P2 F8 64.9(3) 18_545 17
F7 P2 P2 131.7(4) . 16_655
F7 P2 P2 131.7(4) 2_655 16_655
F7 P2 P2 131.7(4) 3_665 16_655
F8 P2 P2 53.9(2) . 16_655
F8 P2 P2 53.9(2) 3_665 16_655
F8 P2 P2 53.9(2) 2_655 16_655
F8 P2 P2 38.29(18) 16_655 16_655
F8 P2 P2 38.29(18) 18_545 16_655
F8 P2 P2 38.29(18) 17 16_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.478(4) .
C1 C2 1.505(5) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 C7 1.383(6) .
C2 C3 1.395(6) .
C3 C4 1.395(6) .
C3 H3 0.9500 .
C4 C5 1.351(7) .
C4 H4 0.9500 .
C5 C6 1.414(6) .
C5 H5 0.9500 .
C6 C7 1.410(5) .
C6 H6 0.9500 .
C7 C8 1.515(5) .
C8 N2 1.518(4) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 N2 1.479(5) .
C9 C10 1.510(6) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 N3 1.350(5) .
C10 C11 1.388(6) .
C11 C12 1.348(7) .
C11 H11 0.9500 .
C12 C13 1.364(7) .
C12 H12 0.9500 .
C13 C14 1.386(6) .
C13 H13 0.9500 .
C14 N3 1.332(5) .
C14 H14 0.9500 .
C15 N2 1.476(5) .
C15 C16 1.502(6) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 N4 1.356(5) .
C16 C17 1.363(6) .
C17 C18 1.386(7) .
C17 H17 0.9500 .
C18 C19 1.358(7) .
C18 H18 0.9500 .
C19 C20 1.377(6) .
C19 H19 0.9500 .
C20 N4 1.340(5) .
C20 H20 0.9500 .
Cl1 Cu1 2.2536(9) .
Cl1 Cu1 2.7618(9) 13_655
Cu1 N4 1.982(3) .
Cu1 N3 1.997(3) .
Cu1 N2 2.038(3) .
Cu1 Cl1 2.7618(9) 13_655
F1 P1 1.598(3) .
F2 P1 1.600(3) .
F3 P1 1.598(3) .
F4 P1 1.592(3) .
F5 P1 1.619(3) .
F6 P1 1.595(3) .
F7 P2 1.597(7) .
F8 F8 1.470(7) 18_545
F8 F8 1.470(7) 17
F8 P2 1.603(6) .
F8 P2 2.090(7) 16_655
N1 C1 1.478(4) 3_665
N1 C1 1.478(4) 2_655
P2 F7 1.597(7) 2_655
P2 F7 1.597(7) 3_665
P2 F8 1.603(6) 3_665
P2 F8 1.603(6) 2_655
P2 F8 2.090(7) 16_655
P2 F8 2.090(7) 18_545
P2 F8 2.090(7) 17
P2 P2 2.586(10) 16_655
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
N1 C1 C2 C7 -69.5(5) . .
N1 C1 C2 C3 108.7(4) . .
C7 C2 C3 C4 1.2(6) . .
C1 C2 C3 C4 -177.1(4) . .
C2 C3 C4 C5 1.6(6) . .
C3 C4 C5 C6 -1.8(6) . .
C4 C5 C6 C7 -0.7(6) . .
C3 C2 C7 C6 -3.7(5) . .
C1 C2 C7 C6 174.5(3) . .
C3 C2 C7 C8 175.6(3) . .
C1 C2 C7 C8 -6.2(5) . .
C5 C6 C7 C2 3.5(5) . .
C5 C6 C7 C8 -175.9(3) . .
C2 C7 C8 N2 -99.3(4) . .
C6 C7 C8 N2 80.0(4) . .
N2 C9 C10 N3 20.8(4) . .
N2 C9 C10 C11 -161.6(4) . .
N3 C10 C11 C12 -2.9(7) . .
C9 C10 C11 C12 179.7(4) . .
C10 C11 C12 C13 0.8(8) . .
C11 C12 C13 C14 0.7(7) . .
C12 C13 C14 N3 -0.3(6) . .
N2 C15 C16 N4 -26.7(4) . .
N2 C15 C16 C17 153.9(3) . .
N4 C16 C17 C18 1.1(6) . .
C15 C16 C17 C18 -179.5(4) . .
C16 C17 C18 C19 1.1(6) . .
C17 C18 C19 C20 -2.3(7) . .
C18 C19 C20 N4 1.3(6) . .
Cu1 Cl1 Cu1 N4 91.75(9) 13_655 .
Cu1 Cl1 Cu1 N3 -91.23(9) 13_655 .
Cu1 Cl1 Cu1 N2 -177(23) 13_655 .
Cu1 Cl1 Cu1 Cl1 0.0 13_655 13_655
C2 C1 N1 C1 -69.0(6) . 3_665
C2 C1 N1 C1 169.8(3) . 2_655
C16 C15 N2 C9 153.5(3) . .
C16 C15 N2 C8 -82.4(3) . .
C16 C15 N2 Cu1 38.2(3) . .
C10 C9 N2 C15 -150.8(3) . .
C10 C9 N2 C8 83.2(3) . .
C10 C9 N2 Cu1 -36.2(3) . .
C7 C8 N2 C15 78.4(4) . .
C7 C8 N2 C9 -156.4(3) . .
C7 C8 N2 Cu1 -39.3(4) . .
N4 Cu1 N2 C15 -30.7(2) . .
N3 Cu1 N2 C15 150.6(2) . .
Cl1 Cu1 N2 C15 -122.4(9) . .
Cl1 Cu1 N2 C15 60.2(2) 13_655 .
N4 Cu1 N2 C9 -149.4(2) . .
N3 Cu1 N2 C9 31.9(2) . .
Cl1 Cu1 N2 C9 118.9(9) . .
Cl1 Cu1 N2 C9 -58.5(2) 13_655 .
N4 Cu1 N2 C8 91.5(3) . .
N3 Cu1 N2 C8 -87.1(2) . .
Cl1 Cu1 N2 C8 -0.2(11) . .
Cl1 Cu1 N2 C8 -177.5(2) 13_655 .
C13 C14 N3 C10 -1.8(5) . .
C13 C14 N3 Cu1 172.0(3) . .
C11 C10 N3 C14 3.3(5) . .
C9 C10 N3 C14 -179.0(3) . .
C11 C10 N3 Cu1 -171.3(3) . .
C9 C10 N3 Cu1 6.4(4) . .
N4 Cu1 N3 C14 158.9(4) . .
N2 Cu1 N3 C14 163.9(3) . .
Cl1 Cu1 N3 C14 -10.1(3) . .
Cl1 Cu1 N3 C14 -104.5(3) 13_655 .
N4 Cu1 N3 C10 -27.0(6) . .
N2 Cu1 N3 C10 -22.0(2) . .
Cl1 Cu1 N3 C10 164.0(2) . .
Cl1 Cu1 N3 C10 69.6(2) 13_655 .
C19 C20 N4 C16 0.9(5) . .
C19 C20 N4 Cu1 178.9(3) . .
C17 C16 N4 C20 -2.1(5) . .
C15 C16 N4 C20 178.5(3) . .
C17 C16 N4 Cu1 179.6(3) . .
C15 C16 N4 Cu1 0.2(4) . .
N3 Cu1 N4 C20 -155.3(4) . .
N2 Cu1 N4 C20 -160.4(3) . .
Cl1 Cu1 N4 C20 13.6(3) . .
Cl1 Cu1 N4 C20 108.1(3) 13_655 .
N3 Cu1 N4 C16 22.8(6) . .
N2 Cu1 N4 C16 17.8(2) . .
Cl1 Cu1 N4 C16 -168.2(2) . .
Cl1 Cu1 N4 C16 -73.8(2) 13_655 .
F8 F8 P2 F7 169.9(5) 18_545 .
F8 F8 P2 F7 -90.2(5) 17 .
P2 F8 P2 F7 -140.1(4) 16_655 .
F8 F8 P2 F7 88.9(5) 18_545 2_655
F8 F8 P2 F7 -171.2(5) 17 2_655
P2 F8 P2 F7 138.8(4) 16_655 2_655
F8 F8 P2 F7 139(4) 18_545 3_665
F8 F8 P2 F7 -121(4) 17 3_665
P2 F8 P2 F7 -171(4) 16_655 3_665
F8 F8 P2 F8 -94.3(2) 18_545 3_665
F8 F8 P2 F8 5.5(4) 17 3_665
P2 F8 P2 F8 -44.40(16) 16_655 3_665
F8 F8 P2 F8 -5.5(4) 18_545 2_655
F8 F8 P2 F8 94.3(2) 17 2_655
P2 F8 P2 F8 44.40(16) 16_655 2_655
F8 F8 P2 F8 -49.9(3) 18_545 16_655
F8 F8 P2 F8 49.9(3) 17 16_655
P2 F8 P2 F8 0.000(1) 16_655 16_655
F8 F8 P2 F8 99.9(6) 17 18_545
P2 F8 P2 F8 49.9(3) 16_655 18_545
F8 F8 P2 F8 -99.9(6) 18_545 17
P2 F8 P2 F8 -49.9(3) 16_655 17
F8 F8 P2 P2 -49.9(3) 18_545 16_655
F8 F8 P2 P2 49.9(3) 17 16_655
