#------------------------------------------------------------------------------
#$Date: 2020-04-04 07:12:49 +0300 (Sat, 04 Apr 2020) $
#$Revision: 250066 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/45/4134518.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_4134518
loop_
_publ_author_name
'Zhan, Shun-Ze'
'Zhang, Guo-Hui'
'Li, Jing-Hong'
'Liu, Jia-Li'
'Zhu, Si-Hui'
'Lu, Weigang'
'Zheng, Ji'
'Ng, Seik Weng'
'Li, Dan'
_publ_section_title
;
 Exohedral Cuprofullerene: Sequentially Expanding Metal Olefin Up to a
 C₆₀@Cu₂₄ Rhombicuboctahedron.
;
_journal_issue                   13
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5943
_journal_page_last               5947
_journal_paper_doi               10.1021/jacs.0c00090
_journal_volume                  142
_journal_year                    2020
_chemical_formula_moiety         'C84 H12 Cu6 F42 O18'
_chemical_formula_sum            'C84 H12 Cu6 F42 O18'
_chemical_formula_weight         2488.18
_space_group_crystal_system      trigonal
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-09-30
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   14.22334(8)
_cell_length_b                   14.22334(8)
_cell_length_c                   37.3147(2)
_cell_measurement_reflns_used    13744
_cell_measurement_temperature    100.01(15)
_cell_measurement_theta_max      73.9980
_cell_measurement_theta_min      3.7520
_cell_volume                     6537.53(6)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(15)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -89.00 -43.00   0.50    1.18    --    0.00 -58.00 119.00   92
  2  ω    -18.00   9.00   0.50    1.18    --    0.00  19.00  30.00   54
  3  ω    -16.00  32.00   0.50    1.18    --    0.00  38.00 120.00   96
  4  ω     42.00  87.00   0.50    1.18    --    0.00  19.00  30.00   90
  5  ω    -26.00   1.00   0.50    1.18    --    0.00 -58.00 119.00   54
  6  ω     35.00  75.00   0.50    1.18    --    0.00  38.00 120.00   80
  7  ω     14.00  44.00   0.50    4.71    --   95.80 -82.00   0.00   60
  8  ω      9.00 100.00   0.50    4.71    --   95.80 -30.00 120.00  182
  9  ω     72.00 185.00   0.50    4.71    --   95.80  15.00 -60.00  226
 10  ω     58.00 120.00   0.50    4.71    --   95.80 -82.00 -90.00  124
 11  ω     72.00 105.00   0.50    4.71    --   95.80 -82.00  60.00   66
 12  ω     81.00 134.00   0.50    4.71    --   95.80  45.00  90.00  106
 13  ω    149.00 175.00   0.50    4.71    --   95.80  45.00  90.00   52
 14  ω     53.00 122.00   0.50    4.71    --   95.80 -77.00 120.00  138
 15  ω     80.00 106.00   0.50    4.71    --   95.80  30.00   0.00   52
 16  ω     17.00  43.00   0.50    4.71    --   95.80 -77.00 120.00   52
 17  ω     67.00 115.00   0.50    4.71    --   95.80 -61.00-180.00   96
 18  ω    130.00 181.00   0.50    4.71    --   95.80  30.00   0.00  102
 19  ω     52.00 103.00   0.50    4.71    --   95.80 -82.00   0.00  102
 20  ω     11.00  37.00   0.50    4.71    --   95.80 -82.00 -90.00   52
 21  ω      7.00  97.00   0.50    4.71    --   95.80 -61.00   0.00  180
 22  ω     59.00 116.00   0.50    4.71    --   95.80 -82.00-150.00  114
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0909474000
_diffrn_orient_matrix_UB_12      0.0280851000
_diffrn_orient_matrix_UB_13      0.0041116000
_diffrn_orient_matrix_UB_21      0.0299354000
_diffrn_orient_matrix_UB_22      0.0271689000
_diffrn_orient_matrix_UB_23      0.0398199000
_diffrn_orient_matrix_UB_31      0.0804343000
_diffrn_orient_matrix_UB_32      0.1188011000
_diffrn_orient_matrix_UB_33      -0.0100979000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0290
_diffrn_reflns_av_unetI/netI     0.0104
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            17729
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.250
_diffrn_reflns_theta_min         3.553
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_exptl_absorpt_coefficient_mu    3.064
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.43676
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.896
_exptl_crystal_description       block
_exptl_crystal_F_000             3636
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.526
_refine_diff_density_min         -1.290
_refine_diff_density_rms         0.254
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     160
_refine_ls_number_reflns         1675
_refine_ls_number_restraints     92
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.1183
_refine_ls_R_factor_gt           0.1171
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²+200.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3200
_refine_ls_wR_factor_ref         0.3211
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1626
_reflns_number_total             1675
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja0c00090_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 4134518--4134521.cif.'
_cod_original_cell_volume        6537.54(8)
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               4134518
_shelx_shelxl_version_number     2017/1
_chemical_oxdiff_formula         'C H N F Cu'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.5 times of:
  All O(H) groups
2. Restrained distances
 C8-C9
 1.5 with sigma of 0.02
 C8-C7
 1.5 with sigma of 0.02
 F3-C9
 2.33 with sigma of 0.02
 C10-C9
 1.5 with sigma of 0.02
 F4-C10
 1.35 with sigma of 0.02
 F1-C8
 1.35 with sigma of 0.02
 C10-F1'
 2.33 with sigma of 0.02
 F1'-F2'
 2.33 with sigma of 0.02
 F2'-F3'
 2.33 with sigma of 0.02
 F4'-C10
 1.5 with sigma of 0.02
 C8'-C7
 1.5 with sigma of 0.02
 C8'-F2'
 2.1 with sigma of 0.02
 C9'-C8
 1.5 with sigma of 0.02
 C8-C9'
 1.2 with sigma of 0.02
 C9'-C7
 2.33 with sigma of 0.02
 F2'-C9'
 1.35 with sigma of 0.02
 C9'-F5'
 2.33 with sigma of 0.02
 C9'-C8'
 1.5 with sigma of 0.02
 C8'-C9'
 1.5 with sigma of 0.02
 F4'-C10'
 1.35 with sigma of 0.02
 F5'-C10'
 1.35 with sigma of 0.02
 C10'-C9'
 1.5 with sigma of 0.02
 F4'-F5'
 2.1 with sigma of 0.02
 F4'-F4'_$1
 2.1 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C10 \\sim C10': within 3.8A with sigma of 0.01 and sigma for terminal atoms of
0.02
Uanis(C9) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(F4) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(F1) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(F1') \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(F2') \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(F4') \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(F5') \\sim Ueq: with sigma of 0.0001 and sigma for terminal atoms of
0.0002
Uanis(C8) \\sim Ueq, Uanis(C8') \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(C9') \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C10') \\sim Ueq, Uanis(C9') \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(F1) = Uanis(F1')
Uanis(F4') = Uanis(F3)
Uanis(C8) = Uanis(C8')
Uanis(C9) = Uanis(C9')
Uanis(C10) = Uanis(C10')
4. Others
 Fixed Sof: F1(0.5) F1'(0.5) F2(0.5) F2'(0.25) F3(0.25) F3'(0.25) F4(0.5)
 F4'(0.5) F5'(0.25) C8(0.25) C8'(0.25) C9(0.25) C9'(0.25) C10(0.25) C10'(0.25)
5.a Tetrahedral OH refined with riding coordinates:
 O1W(H1W)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.368
_oxdiff_exptl_absorpt_empirical_full_min 0.529
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -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'
'y+2/3, x+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+2/3, -x+y+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'
'y+1/3, x+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, 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'
'-y+2/3, -x+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+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'
'-y+1/3, -x+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.58809(5) 0.41191(5) 0.46929(3) 0.0196(5) Uani 1 2 d S T P . .
F1 F 0.7643(17) 0.6996(19) 0.5424(6) 0.115(4) Uani 0.5 1 d D U . A 1
F1' F 0.7342(18) 0.5987(18) 0.5740(6) 0.115(4) Uani 0.5 1 d D U . B 2
F2 F 0.8416(12) 0.5339(12) 0.5866(3) 0.067(3) Uani 0.5 1 d . . . A 1
F2' F 0.769(3) 0.739(3) 0.5363(13) 0.17(2) Uani 0.25 1 d D U . B 2
F3 F 0.8125(17) 0.625(3) 0.6445(8) 0.170(4) Uani 0.5 2 d DS T P A 1
F3' F 0.8817(11) 0.763(2) 0.4901(12) 0.27(4) Uani 0.5 2 d DS T P B 2
F4 F 0.7993(10) 0.7453(10) 0.6123(3) 0.056(3) Uani 0.5 1 d D U . A 1
F4' F 0.8355(14) 0.817(2) 0.5899(7) 0.170(4) Uani 0.5 1 d D U . B 2
F5' F 0.9568(10) 0.914(2) 0.5524(11) 0.5334(5) Uani 0.5 2 d DS TU P B 2
O1 O 0.6830(4) 0.5235(5) 0.50516(13) 0.0364(13) Uani 1 1 d . . . . .
O1W O 0.5020(3) 0.4980(3) 0.45773(16) 0.0285(15) Uani 1 2 d S T P . .
H1W H 0.447377 0.458879 0.445991 0.043 Uiso 1 1 calc R . . . .
C1 C 0.5648(4) 0.3346(4) 0.42197(14) 0.0162(12) Uani 1 1 d . . . . .
C2 C 0.4782(5) 0.3217(5) 0.39771(14) 0.0178(12) Uani 1 1 d . . . . .
C3 C 0.4909(5) 0.4076(5) 0.37630(14) 0.0193(12) Uani 1 1 d . . . . .
C4 C 0.4246(6) 0.2123(3) 0.3836(2) 0.0181(16) Uani 1 2 d S T P . .
C5 C 0.3836(7) 0.1918(3) 0.3489(2) 0.0204(16) Uani 1 2 d S T P . .
C6 C 0.3964(4) 0.2814(5) 0.32671(15) 0.0201(12) Uani 1 1 d . . . . .
C7 C 0.7780(5) 0.5560(10) 0.5149(3) 0.039(3) Uani 1 2 d DS T P . .
C8 C 0.8250(9) 0.6500(17) 0.5423(6) 0.0511(16) Uani 0.5 2 d DS TU P A 1
C8' C 0.8112(8) 0.6224(16) 0.5491(5) 0.0511(16) Uani 0.5 2 d DS TU P B 2
C9 C 0.8042(19) 0.608(4) 0.5815(7) 0.0985(17) Uani 0.5 2 d DS TU P A 1
C9' C 0.8675(7) 0.7351(15) 0.5333(9) 0.0985(17) Uani 0.5 2 d DS TU P B 2
C10 C 0.8382(14) 0.676(3) 0.6152(14) 0.166(2) Uani 0.5 2 d DS TU P A 1
C10' C 0.9057(13) 0.811(3) 0.5655(8) 0.166(2) Uani 0.5 2 d DS TU P 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 0.0181 0.0091 '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'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
O1 Cu1 O1 94.7(3) 22_665 . ?
O1 Cu1 O1W 91.90(19) . . ?
O1 Cu1 O1W 91.90(19) 22_665 . ?
O1 Cu1 C1 111.1(2) . 22_665 ?
O1 Cu1 C1 151.7(2) 22_665 22_665 ?
O1 Cu1 C1 151.7(2) . . ?
O1 Cu1 C1 111.1(2) 22_665 . ?
C1 Cu1 O1W 98.6(2) 22_665 . ?
C1 Cu1 O1W 98.6(2) . . ?
C1 Cu1 C1 41.5(3) . 22_665 ?
C7 O1 Cu1 132.0(5) . . ?
Cu1 O1W H1W 109.5 . . ?
Cu1 O1W H1W 109.47(8) . 22_665 ?
H1W O1W H1W 108.8 . 22_665 ?
C1 C1 Cu1 69.24(15) 22_665 . ?
C1 C1 Cu1 117.59(15) 24 . ?
C1 C1 C1 119.999(4) 22_665 24 ?
C1 C1 C2 118.9(3) 22_665 . ?
C2 C1 Cu1 120.5(4) . . ?
C2 C1 C1 107.2(3) . 24 ?
C3 C2 C1 120.8(5) . . ?
C3 C2 C4 120.1(5) . . ?
C4 C2 C1 108.5(5) . . ?
C2 C3 C3 120.2(3) . 22_665 ?
C2 C3 C6 119.1(5) . 17 ?
C3 C3 C6 108.5(3) 22_665 17 ?
C2 C4 C2 108.6(7) 24 . ?
C5 C4 C2 120.3(4) . . ?
C5 C4 C2 120.3(4) . 24 ?
C4 C5 C6 119.5(4) . . ?
C4 C5 C6 119.5(4) . 24 ?
C6 C5 C6 109.1(7) 24 . ?
C5 C6 C3 107.0(5) . 17 ?
C6 C6 C3 120.8(6) 17 17 ?
C6 C6 C5 120.2(6) 17 . ?
O1 C7 O1 128.3(9) . 23_655 ?
O1 C7 C8 115.8(4) . . ?
O1 C7 C8 115.8(4) 23_655 . ?
O1 C7 C8' 114.9(5) 23_655 . ?
O1 C7 C8' 114.9(5) . . ?
F1 C8 F1 127(3) . 23_655 ?
F1 C8 C7 109.8(13) . . ?
F1 C8 C7 109.8(13) 23_655 . ?
F1 C8 C9 98.4(16) 23_655 . ?
F1 C8 C9 98.4(16) . . ?
C7 C8 C9 112(2) . . ?
F1' C8' C7 117.7(14) . . ?
F1' C8' C7 117.7(14) 23_655 . ?
F1' C8' C9' 118.0(15) 23_655 . ?
F1' C8' C9' 118.0(15) . . ?
C9' C8' C7 99.8(14) . . ?
F2 C9 F2 97(3) . 23_655 ?
F2 C9 C8 109.9(18) 23_655 . ?
F2 C9 C8 109.9(18) . . ?
F2 C9 C10 104.3(15) 23_655 . ?
F2 C9 C10 104.3(15) . . ?
C10 C9 C8 127(4) . . ?
F2' C9' F2' 170(5) 23_655 . ?
F2' C9' F3' 94(2) 23_655 . ?
F2' C9' F3' 94(2) . . ?
F2' C9' C8' 89.9(12) 23_655 . ?
F2' C9' C8' 89.9(12) . . ?
F2' C9' C10' 85(3) 23_655 . ?
F2' C9' C10' 85(3) . . ?
C8' C9' F3' 125(2) . . ?
C8' C9' C10' 105(2) . . ?
C10' C9' F3' 130(2) . . ?
F3 C10 F4 113(3) . . ?
F3 C10 F4 113(3) . 23_655 ?
F3 C10 C9 116(3) . . ?
F4 C10 F4 101(3) 23_655 . ?
F4 C10 C9 106(3) 23_655 . ?
F4 C10 C9 106(3) . . ?
F4' C10' F4' 97.2(19) 23_655 . ?
F4' C10' C9' 123.2(17) 23_655 . ?
F4' C10' C9' 123.2(17) . . ?
F5' C10' F4' 101.3(17) . . ?
F5' C10' C9' 106.9(19) . . ?
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 O1 1.997(5) 22_665 ?
Cu1 O1 1.997(5) . ?
Cu1 O1W 2.165(6) . ?
Cu1 C1 2.019(5) 22_665 ?
Cu1 C1 2.018(5) . ?
F1 C8 1.362(16) . ?
F1' C8' 1.35(2) . ?
F2 C9 1.42(3) . ?
F2' C9' 1.432(19) . ?
F3 C10 1.26(5) . ?
F3' C9' 1.65(5) . ?
F4 C10 1.350(19) . ?
F4' C10' 1.379(17) . ?
F5' C10' 1.35(2) . ?
O1 C7 1.244(6) . ?
O1W H1W 0.8200 . ?
O1W H1W 0.8200 22_665 ?
C1 C1 1.431(11) 22_665 ?
C1 C1 1.484(11) 24 ?
C1 C2 1.464(8) . ?
C2 C3 1.394(8) . ?
C2 C4 1.446(8) . ?
C3 C3 1.445(12) 22_665 ?
C3 C6 1.454(8) 17 ?
C4 C5 1.390(11) . ?
C5 C6 1.453(8) 24 ?
C5 C6 1.453(8) . ?
C6 C6 1.372(12) 17 ?
C7 C8 1.545(18) . ?
C7 C8' 1.513(18) . ?
C8 C9 1.549(19) . ?
C8' C9' 1.507(14) . ?
C9 C10 1.51(2) . ?
C9' C10' 1.524(19) . ?
