#------------------------------------------------------------------------------
#$Date: 2018-08-11 21:32:07 +0300 (Sat, 11 Aug 2018) $
#$Revision: 209588 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/03/7000323.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_7000323
loop_
_publ_author_name
'Maekawa, Masahiko'
'Nabei, Atsuhiro'
'Tominaga, Toshi'
'Sugimoto, Kunihisa'
'Minematsu, Toshie'
'Okubo, Takashi'
'Kuroda-Sowa, Takayoshi'
'Munakata, Megumu'
'Kitagawa, Susumu'
_publ_section_title
;
 A unique chair-shaped hexanuclear Cu(I) metallamacrocyclic C2H4 adduct
 encapsulating a BF4− anion
;
_journal_coden_ASTM              DTARAF
_journal_issue                   3
_journal_name_full               'Dalton Transactions'
_journal_page_first              415
_journal_page_last               417
_journal_paper_doi               10.1039/b812337c
_journal_year                    2009
_chemical_formula_moiety         'C26 H28 Cu3 N8 3+, 3(B F4 -)'
_chemical_formula_sum            'C26 H28 B3 Cu3 F12 N8'
_chemical_formula_weight         903.61
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 111.645(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.6904(8)
_cell_length_b                   23.414(2)
_cell_length_c                   8.8729(9)
_cell_measurement_reflns_used    9989
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.0
_cell_volume                     1678.1(3)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 2.0'
_computing_publication_material  'teXsan Ver. 2.0'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0944
_diffrn_reflns_av_sigmaI/netI    0.1001
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            11828
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    1.984
_exptl_absorpt_correction_T_max  0.924
_exptl_absorpt_correction_T_min  0.815
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.788
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             900
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.957
_refine_diff_density_min         -1.397
_refine_diff_density_rms         0.184
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.253
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     234
_refine_ls_number_reflns         3847
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.526
_refine_ls_R_factor_all          0.1137
_refine_ls_R_factor_gt           0.0880
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0982P)²+2.8758P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2218
_refine_ls_wR_factor_ref         0.2434
_reflns_number_gt                2845
_reflns_number_total             3847
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B812337C.txt
_cod_data_source_block           '[Cu3(pprd)2(AN)2(C2H4)2](BF4)3'
_cod_original_sg_symbol_Hall     '-P 2yb '
_cod_original_sg_symbol_H-M      'P 21/m '
_cod_original_formula_sum        'C26 H28 B3 Cu3 F12 N8 '
_cod_database_code               7000323
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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 0.74787(11) 0.07443(4) 0.07942(10) 0.0278(3) Uani 1 1 d . . .
Cu2 Cu 1.05419(17) 0.2500 0.57696(16) 0.0302(4) Uani 1 2 d S . .
F1 F 0.5625(8) 0.0527(3) 0.2889(8) 0.0574(10) Uiso 0.834(6) 1 d PD A 1
F2 F 0.3528(7) 0.1139(3) 0.2530(8) 0.0574(10) Uiso 0.834(6) 1 d PD A 1
F3 F 0.6135(8) 0.1436(3) 0.3507(8) 0.0574(10) Uiso 0.834(6) 1 d PD A 1
F4 F 0.5212(9) 0.0911(3) 0.5050(7) 0.0574(10) Uiso 0.834(6) 1 d PD A 1
F5 F 0.465(3) 0.0416(6) 0.354(3) 0.0574(10) Uiso 0.166(6) 1 d PD A 2
F6 F 0.375(2) 0.1259(11) 0.249(3) 0.0574(10) Uiso 0.166(6) 1 d PD A 2
F7 F 0.639(2) 0.1012(12) 0.310(3) 0.0574(10) Uiso 0.166(6) 1 d PD A 2
F8 F 0.544(3) 0.1184(11) 0.5051(19) 0.0574(10) Uiso 0.166(6) 1 d PD A 2
F9 F 0.7521(9) 0.2546(8) 0.0736(8) 0.0397(12) Uiso 0.50 1 d PD . .
F10 F 1.0213(11) 0.2671(3) 0.1244(10) 0.0397(12) Uiso 0.50 1 d PD . .
F11 F 0.8217(13) 0.2968(4) -0.1142(12) 0.0397(12) Uiso 0.50 1 d PD B 3
F12 F 0.8807(13) 0.2976(4) -0.0621(12) 0.0397(12) Uiso 0.50 1 d PD B 4
N1 N 0.8815(8) 0.0034(3) 0.1362(7) 0.0263(13) Uani 1 1 d . . .
N2 N 0.9325(8) 0.1041(3) 0.2753(7) 0.0263(14) Uani 1 1 d . . .
N3 N 1.0711(8) 0.1726(3) 0.4768(7) 0.0266(14) Uani 1 1 d . . .
N4 N 0.8170(14) 0.2500 0.5561(12) 0.042(2) Uani 1 2 d S . .
N5 N 1.2162(12) 0.2500 0.8048(11) 0.034(2) Uani 1 2 d S . .
C1 C 0.5584(11) 0.1235(4) -0.0497(10) 0.038(2) Uani 1 1 d . . .
H1 H 0.4783 0.1336 0.0015 0.045 Uiso 1 1 calc R . .
H2 H 0.5837 0.1555 -0.1096 0.045 Uiso 1 1 calc R . .
C2 C 0.5409(10) 0.0713(3) -0.1198(9) 0.0304(18) Uani 1 1 d . . .
H3 H 0.5553 0.0691 -0.2252 0.036 Uiso 1 1 calc R . .
H4 H 0.4498 0.0471 -0.1139 0.036 Uiso 1 1 calc R . .
C3 C 0.8496(10) -0.0465(3) 0.0540(10) 0.0329(18) Uani 1 1 d . . .
H5 H 0.7541 -0.0493 -0.0426 0.039 Uiso 1 1 calc R . .
C4 C 0.9520(11) -0.0939(4) 0.1063(11) 0.037(2) Uani 1 1 d . . .
H6 H 0.9273 -0.1287 0.0472 0.044 Uiso 1 1 calc R . .
C5 C 1.0895(11) -0.0889(3) 0.2452(10) 0.0345(19) Uani 1 1 d . . .
H7 H 1.1608 -0.1208 0.2841 0.041 Uiso 1 1 calc R . .
C6 C 1.1250(10) -0.0382(3) 0.3288(10) 0.0300(17) Uani 1 1 d . . .
H8 H 1.2210 -0.0346 0.4246 0.036 Uiso 1 1 calc R . .
C7 C 1.0194(9) 0.0072(3) 0.2715(8) 0.0237(15) Uani 1 1 d . . .
C8 C 1.0457(9) 0.0640(3) 0.3507(9) 0.0240(15) Uani 1 1 d . . .
C9 C 1.1737(10) 0.0769(3) 0.4941(9) 0.0275(16) Uani 1 1 d . . .
H9 H 1.2528 0.0490 0.5517 0.033 Uiso 1 1 calc R . .
C10 C 1.1816(10) 0.1324(3) 0.5501(9) 0.0268(16) Uani 1 1 d . . .
H10 H 1.2712 0.1425 0.6466 0.032 Uiso 1 1 calc R . .
C11 C 0.9484(10) 0.1563(3) 0.3412(9) 0.0296(17) Uani 1 1 d . . .
H11 H 0.8662 0.1838 0.2874 0.036 Uiso 1 1 calc R . .
C12 C 1.2852(14) 0.2500 0.9370(14) 0.031(2) Uani 1 2 d S . .
C13 C 1.3746(15) 0.2500 1.1139(13) 0.034(3) Uani 1 2 d S . .
H12 H 1.4807 0.2302 1.1401 0.041 Uiso 0.50 1 calc PR . .
H13 H 1.3080 0.2303 1.1662 0.041 Uiso 0.50 1 calc PR . .
H14 H 1.3946 0.2895 1.1531 0.041 Uiso 0.50 1 calc PR . .
C14 C 0.6876(15) 0.2500 0.5562(14) 0.033(3) Uani 1 2 d S . .
C15 C 0.5180(15) 0.2500 0.5607(16) 0.040(3) Uani 1 2 d S . .
H15 H 0.4419 0.2697 0.4646 0.048 Uiso 0.50 1 calc PR . .
H16 H 0.5196 0.2698 0.6586 0.048 Uiso 0.50 1 calc PR . .
H17 H 0.4809 0.2105 0.5620 0.048 Uiso 0.50 1 calc PR . .
B1 B 0.5091(9) 0.0983(3) 0.3516(8) 0.034(2) Uani 1 1 d D . .
B2 B 0.8745(17) 0.2500 0.0003(15) 0.036(3) Uani 1 2 d SD . .
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'
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'
B B 0.0013 0.0007 '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'
H H 0.0000 0.0000 '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
C1 Cu1 N1 156.0(3) . . ?
C1 Cu1 C2 39.7(3) . . ?
N1 Cu1 C2 116.3(3) . . ?
C1 Cu1 N2 121.8(3) . . ?
N1 Cu1 N2 82.2(3) . . ?
C2 Cu1 N2 161.4(3) . . ?
N5 Cu2 N4 114.3(4) . . ?
N5 Cu2 N3 107.7(2) . . ?
N4 Cu2 N3 101.3(2) . . ?
N5 Cu2 N3 107.7(2) . 4_565 ?
N4 Cu2 N3 101.3(2) . 4_565 ?
N3 Cu2 N3 124.5(3) . 4_565 ?
F9 F9 B2 85.7(7) 4_565 . ?
F10 F10 B2 73.4(4) 4_565 . ?
C3 N1 C7 118.4(7) . . ?
C3 N1 Cu1 127.1(5) . . ?
C7 N1 Cu1 114.5(5) . . ?
C11 N2 C8 118.7(6) . . ?
C11 N2 Cu1 128.0(5) . . ?
C8 N2 Cu1 113.2(5) . . ?
C10 N3 C11 115.6(6) . . ?
C10 N3 Cu2 124.6(5) . . ?
C11 N3 Cu2 118.9(5) . . ?
C14 N4 Cu2 175.0(10) . . ?
C12 N5 Cu2 169.3(10) . . ?
C2 C1 Cu1 70.9(5) . . ?
C2 C1 H1 116.5 . . ?
Cu1 C1 H1 116.5 . . ?
C2 C1 H2 116.5 . . ?
Cu1 C1 H2 116.5 . . ?
H1 C1 H2 113.5 . . ?
C1 C2 Cu1 69.5(5) . . ?
C1 C2 H3 116.7 . . ?
Cu1 C2 H3 116.7 . . ?
C1 C2 H4 116.7 . . ?
Cu1 C2 H4 116.7 . . ?
H3 C2 H4 113.7 . . ?
N1 C3 C4 122.0(8) . . ?
N1 C3 H5 119.0 . . ?
C4 C3 H5 119.0 . . ?
C5 C4 C3 118.2(8) . . ?
C5 C4 H6 120.9 . . ?
C3 C4 H6 120.9 . . ?
C6 C5 C4 120.5(8) . . ?
C6 C5 H7 119.8 . . ?
C4 C5 H7 119.8 . . ?
C5 C6 C7 118.9(8) . . ?
C5 C6 H8 120.6 . . ?
C7 C6 H8 120.6 . . ?
N1 C7 C6 122.0(7) . . ?
N1 C7 C8 114.3(6) . . ?
C6 C7 C8 123.7(7) . . ?
N2 C8 C9 120.0(7) . . ?
N2 C8 C7 115.7(6) . . ?
C9 C8 C7 124.3(7) . . ?
C8 C9 C10 116.9(7) . . ?
C8 C9 H9 121.5 . . ?
C10 C9 H9 121.5 . . ?
N3 C10 C9 123.8(7) . . ?
N3 C10 H10 118.1 . . ?
C9 C10 H10 118.1 . . ?
N3 C11 N2 125.0(7) . . ?
N3 C11 H11 117.5 . . ?
N2 C11 H11 117.5 . . ?
N5 C12 C13 179.1(12) . . ?
C12 C13 H12 109.5 . . ?
C12 C13 H13 109.5 . . ?
H12 C13 H13 109.5 . . ?
C12 C13 H14 109.5 . . ?
H12 C13 H14 109.5 . . ?
H13 C13 H14 109.5 . . ?
N4 C14 C15 178.6(13) . . ?
C14 C15 H15 109.5 . . ?
C14 C15 H16 109.5 . . ?
H15 C15 H16 109.5 . . ?
C14 C15 H17 109.5 . . ?
H15 C15 H17 109.5 . . ?
H16 C15 H17 109.5 . . ?
F7 B1 F4 122.7(13) . . ?
F7 B1 F6 113.6(10) . . ?
F4 B1 F6 118.3(14) . . ?
F4 B1 F1 114.0(6) . . ?
F7 B1 F8 111.4(10) . . ?
F6 B1 F8 109.3(10) . . ?
F4 B1 F2 111.9(7) . . ?
F1 B1 F2 110.8(6) . . ?
F7 B1 F5 109.1(10) . . ?
F6 B1 F5 107.1(10) . . ?
F8 B1 F5 105.9(10) . . ?
F4 B1 F3 107.1(6) . . ?
F1 B1 F3 105.8(6) . . ?
F2 B1 F3 106.7(6) . . ?
F12 B2 F12 125.3(14) 4_565 . ?
F12 B2 F10 115.2(10) 4_565 . ?
F12 B2 F10 85.3(8) . . ?
F12 B2 F10 85.3(8) 4_565 4_565 ?
F12 B2 F10 115.2(10) . 4_565 ?
F12 B2 F11 114.6(10) . 4_565 ?
F10 B2 F11 136.7(10) . 4_565 ?
F10 B2 F11 107.2(7) 4_565 4_565 ?
F12 B2 F11 114.6(10) 4_565 . ?
F10 B2 F11 107.2(7) . . ?
F10 B2 F11 136.7(10) 4_565 . ?
F11 B2 F11 98.2(11) 4_565 . ?
F12 B2 F9 115.1(11) 4_565 . ?
F12 B2 F9 107.0(10) . . ?
F10 B2 F9 103.5(9) . . ?
F10 B2 F9 106.1(9) 4_565 . ?
F11 B2 F9 106.1(10) 4_565 . ?
F11 B2 F9 99.5(10) . . ?
F12 B2 F9 107.0(10) 4_565 4_565 ?
F12 B2 F9 115.1(11) . 4_565 ?
F10 B2 F9 106.1(9) . 4_565 ?
F10 B2 F9 103.5(9) 4_565 4_565 ?
F11 B2 F9 99.5(10) 4_565 4_565 ?
F11 B2 F9 106.1(10) . 4_565 ?
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 C1 1.987(8) . ?
Cu1 N1 1.985(6) . ?
Cu1 C2 2.005(7) . ?
Cu1 N2 2.005(6) . ?
Cu2 N5 1.992(9) . ?
Cu2 N4 2.000(11) . ?
Cu2 N3 2.048(6) . ?
Cu2 N3 2.048(6) 4_565 ?
F1 B1 1.362(8) . ?
F2 B1 1.366(8) . ?
F3 B1 1.397(8) . ?
F4 B1 1.336(8) . ?
F5 B1 1.385(10) . ?
F6 B1 1.348(10) . ?
F7 B1 1.318(10) . ?
F8 B1 1.365(10) . ?
F9 F9 0.22(4) 4_565 ?
F9 B2 1.441(14) . ?
F10 F10 0.802(15) 4_565 ?
F10 B2 1.401(15) . ?
F11 B2 1.449(12) . ?
F12 B2 1.255(11) . ?
N1 C3 1.350(10) . ?
N1 C7 1.350(9) . ?
N2 C11 1.341(9) . ?
N2 C8 1.345(9) . ?
N3 C10 1.330(10) . ?
N3 C11 1.335(9) . ?
N4 C14 1.125(16) . ?
N5 C12 1.104(14) . ?
C1 C2 1.354(11) . ?
C1 H1 0.9900 . ?
C1 H2 0.9900 . ?
C2 H3 0.9900 . ?
C2 H4 0.9900 . ?
C3 C4 1.390(11) . ?
C3 H5 0.9500 . ?
C4 C5 1.369(12) . ?
C4 H6 0.9500 . ?
C5 C6 1.373(11) . ?
C5 H7 0.9500 . ?
C6 C7 1.374(10) . ?
C6 H8 0.9500 . ?
C7 C8 1.483(10) . ?
C8 C9 1.380(10) . ?
C9 C10 1.385(10) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 C13 1.472(15) . ?
C13 H12 0.9800 . ?
C13 H13 0.9800 . ?
C13 H14 0.9800 . ?
C14 C15 1.490(16) . ?
C15 H15 0.9800 . ?
C15 H16 0.9800 . ?
C15 H17 0.9800 . ?
B2 F12 1.255(11) 4_565 ?
B2 F10 1.401(15) 4_565 ?
B2 F11 1.449(12) 4_565 ?
B2 F9 1.441(14) 4_565 ?
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
C1 Cu1 N1 C3 2.2(11) . . . . ?
C2 Cu1 N1 C3 1.1(7) . . . . ?
N2 Cu1 N1 C3 -177.2(6) . . . . ?
C1 Cu1 N1 C7 -178.6(7) . . . . ?
C2 Cu1 N1 C7 -179.7(5) . . . . ?
N2 Cu1 N1 C7 2.0(5) . . . . ?
C1 Cu1 N2 C11 1.7(8) . . . . ?
N1 Cu1 N2 C11 -178.6(7) . . . . ?
C2 Cu1 N2 C11 6.1(13) . . . . ?
C1 Cu1 N2 C8 177.3(5) . . . . ?
N1 Cu1 N2 C8 -3.0(5) . . . . ?
C2 Cu1 N2 C8 -178.3(8) . . . . ?
N5 Cu2 N3 C10 -5.1(7) . . . . ?
N4 Cu2 N3 C10 -125.4(6) . . . . ?
N3 Cu2 N3 C10 122.2(5) 4_565 . . . ?
N5 Cu2 N3 C11 163.0(6) . . . . ?
N4 Cu2 N3 C11 42.7(6) . . . . ?
N3 Cu2 N3 C11 -69.7(7) 4_565 . . . ?
N4 Cu2 N5 C12 0.000(18) . . . . ?
N3 Cu2 N5 C12 -111.7(2) . . . . ?
N3 Cu2 N5 C12 111.7(2) 4_565 . . . ?
N1 Cu1 C1 C2 -1.5(11) . . . . ?
N2 Cu1 C1 C2 177.8(5) . . . . ?
N1 Cu1 C2 C1 179.3(5) . . . . ?
N2 Cu1 C2 C1 -6.0(12) . . . . ?
C7 N1 C3 C4 1.3(11) . . . . ?
Cu1 N1 C3 C4 -179.5(6) . . . . ?
N1 C3 C4 C5 -0.4(12) . . . . ?
C3 C4 C5 C6 -0.7(12) . . . . ?
C4 C5 C6 C7 0.7(12) . . . . ?
C3 N1 C7 C6 -1.4(10) . . . . ?
Cu1 N1 C7 C6 179.4(5) . . . . ?
C3 N1 C7 C8 178.5(6) . . . . ?
Cu1 N1 C7 C8 -0.7(7) . . . . ?
C5 C6 C7 N1 0.4(11) . . . . ?
C5 C6 C7 C8 -179.5(7) . . . . ?
C11 N2 C8 C9 0.8(10) . . . . ?
Cu1 N2 C8 C9 -175.3(5) . . . . ?
C11 N2 C8 C7 179.5(6) . . . . ?
Cu1 N2 C8 C7 3.5(8) . . . . ?
N1 C7 C8 N2 -1.9(9) . . . . ?
C6 C7 C8 N2 178.0(6) . . . . ?
N1 C7 C8 C9 176.8(7) . . . . ?
C6 C7 C8 C9 -3.3(11) . . . . ?
N2 C8 C9 C10 -2.3(10) . . . . ?
C7 C8 C9 C10 179.0(7) . . . . ?
C11 N3 C10 C9 -0.4(11) . . . . ?
Cu2 N3 C10 C9 168.0(6) . . . . ?
C8 C9 C10 N3 2.2(11) . . . . ?
C10 N3 C11 N2 -1.4(11) . . . . ?
Cu2 N3 C11 N2 -170.5(6) . . . . ?
C8 N2 C11 N3 1.2(12) . . . . ?
Cu1 N2 C11 N3 176.6(6) . . . . ?
F10 F10 B2 F12 -27.8(8) 4_565 . . 4_565 ?
F10 F10 B2 F12 -154.9(8) 4_565 . . . ?
F10 F10 B2 F11 -33.5(11) 4_565 . . 4_565 ?
F10 F10 B2 F11 -156.7(9) 4_565 . . . ?
F10 F10 B2 F9 98.8(8) 4_565 . . . ?
F10 F10 B2 F9 90.3(8) 4_565 . . 4_565 ?
F9 F9 B2 F12 18.4(9) 4_565 . . 4_565 ?
F9 F9 B2 F12 162.6(9) 4_565 . . . ?
F9 F9 B2 F10 -108.3(4) 4_565 . . . ?
F9 F9 B2 F10 -73.9(4) 4_565 . . 4_565 ?
F9 F9 B2 F11 39.9(7) 4_565 . . 4_565 ?
F9 F9 B2 F11 141.4(7) 4_565 . . . ?
