#------------------------------------------------------------------------------
#$Date: 2019-11-26 16:29:30 +0200 (Tue, 26 Nov 2019) $
#$Revision: 243634 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/94/4089409.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_4089409
loop_
_publ_author_name
'Hannigan, Steven F.'
'Lum, June S.'
'Bacon, Jeffrey W.'
'Moore, Curtis'
'Golen, James A.'
'Rheingold, Arnold L.'
'Doerrer, Linda H.'
_publ_section_title
;
 Room Temperature Stable Organocuprate Copper(III) Complex
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              3429
_journal_paper_doi               10.1021/om4000538
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C27 H15 Cu F18 K O3'
_chemical_formula_weight         832.03
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 103.971(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.9365(6)
_cell_length_b                   22.8275(15)
_cell_length_c                   22.8784(11)
_cell_measurement_reflns_used    9779
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.35
_cell_measurement_theta_min      2.35
_cell_volume                     6049.5(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0241
_diffrn_reflns_av_sigmaI/netI    0.0200
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            41886
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.48
_diffrn_reflns_theta_min         2.35
_exptl_absorpt_coefficient_mu    1.002
_exptl_absorpt_correction_T_max  0.9153
_exptl_absorpt_correction_T_min  0.7668
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.827
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             3288
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.656
_refine_diff_density_min         -0.290
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         6234
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0347
_refine_ls_R_factor_gt           0.0261
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0312P)²+4.0988P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0620
_refine_ls_wR_factor_ref         0.0654
_reflns_number_gt                5290
_reflns_number_total             6234
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om4000538_si_002.cif
_cod_data_source_block           lhd314b_compound_3_Cu3_ACIE
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4089409
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.259592(16) 0.566332(9) 0.374151(8) 0.02141(7) Uani 0.9599(7) 1 d P A 1
Cu1' Cu 0.2064(4) 0.5045(2) 0.4777(2) 0.0215(15) Uani 0.0401(7) 1 d P A 2
K1 K 0.0000 0.54522(3) 0.2500 0.04119(15) Uani 1 2 d S . 1
K2 K 0.5000 0.5000 0.5000 0.04119(15) Uani 1 2 d S . 1
F1 F 0.13636(13) 0.69922(5) 0.37368(5) 0.0621(4) Uani 1 1 d . A 1
F2 F -0.03143(14) 0.70867(7) 0.39211(6) 0.0796(5) Uani 1 1 d . A 1
F3 F -0.01419(12) 0.66788(6) 0.31074(5) 0.0653(4) Uani 1 1 d . A 1
F4 F -0.12027(10) 0.61283(8) 0.43344(6) 0.0780(5) Uani 1 1 d . A 1
F5 F -0.13160(10) 0.58010(7) 0.34429(6) 0.0656(4) Uani 1 1 d . A 1
F6 F -0.04909(10) 0.52926(7) 0.42078(6) 0.0647(4) Uani 1 1 d . A 1
F7 F 0.45144(10) 0.40373(5) 0.30926(6) 0.0507(3) Uani 1 1 d . A 1
F8 F 0.44937(9) 0.49688(5) 0.30066(5) 0.0430(3) Uani 1 1 d . A 1
F9 F 0.45005(9) 0.45783(5) 0.38569(4) 0.0383(2) Uani 1 1 d . A 1
F10 F 0.25093(11) 0.37793(5) 0.23543(5) 0.0494(3) Uani 1 1 d . A 1
F11 F 0.11219(10) 0.43891(6) 0.22886(5) 0.0532(3) Uani 1 1 d . A 1
F12 F 0.26876(11) 0.46603(5) 0.20680(4) 0.0501(3) Uani 1 1 d . A 1
F13 F 0.36012(9) 0.68573(5) 0.46384(5) 0.0445(3) Uani 1 1 d . A 1
F14 F 0.48508(10) 0.62748(5) 0.51677(4) 0.0427(3) Uani 1 1 d . A 1
F15 F 0.54020(10) 0.70765(5) 0.48416(5) 0.0436(3) Uani 1 1 d . A 1
F16 F 0.64514(9) 0.58322(5) 0.46433(5) 0.0420(3) Uani 1 1 d . A 1
F17 F 0.66387(8) 0.66079(5) 0.41402(5) 0.0432(3) Uani 1 1 d . A 1
F18 F 0.60554(9) 0.58065(5) 0.36803(5) 0.0419(3) Uani 1 1 d . A 1
O1 O 0.10287(10) 0.57707(5) 0.36322(5) 0.0312(3) Uani 1 1 d . A 1
O2 O 0.23383(9) 0.51031(5) 0.31180(5) 0.0279(3) Uani 1 1 d . A 1
O3 O 0.41163(9) 0.57814(5) 0.41226(5) 0.0259(2) Uani 1 1 d . A 1
C1 C 0.0353(2) 0.67247(10) 0.36957(9) 0.0491(5) Uani 1 1 d . A 1
C2 C 0.05466(14) 0.61221(8) 0.39986(7) 0.0326(4) Uani 1 1 d . A 1
C3 C -0.06284(16) 0.58367(11) 0.40002(9) 0.0488(5) Uani 1 1 d . A 1
C4 C 0.12633(14) 0.61515(8) 0.46527(7) 0.0297(4) Uani 1 1 d . A 1
C5 C 0.13747(16) 0.66513(9) 0.50070(8) 0.0382(4) Uani 1 1 d . A 1
H5A H 0.0986 0.7001 0.4848 0.046 Uiso 1 1 calc R A 1
C6 C 0.20519(18) 0.66425(10) 0.55931(8) 0.0449(5) Uani 1 1 d . A 1
H6A H 0.2139 0.6988 0.5831 0.054 Uiso 1 1 calc R A 1
C7 C 0.25996(17) 0.61322(10) 0.58311(8) 0.0438(5) Uani 1 1 d . A 1
H7A H 0.3067 0.6128 0.6231 0.053 Uiso 1 1 calc R A 1
C8 C 0.24698(17) 0.56335(9) 0.54919(8) 0.0402(5) Uani 1 1 d . A 1
H8A H 0.2833 0.5281 0.5660 0.048 Uiso 1 1 calc R A 1
C9 C 0.18125(15) 0.56399(8) 0.49067(8) 0.0347(4) Uani 1 1 d . A 1
H9A H 0.1732 0.5291 0.4673 0.042 Uiso 1 1 calc R A 1
C10 C 0.40638(16) 0.45282(8) 0.32577(8) 0.0328(4) Uani 1 1 d . A 1
C11 C 0.27283(15) 0.45378(8) 0.31096(7) 0.0282(4) Uani 1 1 d . A 1
C12 C 0.22730(17) 0.43379(9) 0.24503(8) 0.0380(4) Uani 1 1 d . A 1
C13 C 0.22854(15) 0.41149(8) 0.35300(7) 0.0308(4) Uani 1 1 d . A 1
C14 C 0.27312(17) 0.35571(9) 0.36737(8) 0.0405(5) Uani 1 1 d . A 1
H14A H 0.3333 0.3416 0.3505 0.049 Uiso 1 1 calc R A 1
C15 C 0.22994(19) 0.32055(9) 0.40625(9) 0.0482(5) Uani 1 1 d . A 1
H15A H 0.2609 0.2825 0.4160 0.058 Uiso 1 1 calc R A 1
C16 C 0.14269(19) 0.34041(10) 0.43076(9) 0.0497(5) Uani 1 1 d . A 1
H16A H 0.1144 0.3164 0.4579 0.060 Uiso 1 1 calc R A 1
C17 C 0.09622(18) 0.39512(10) 0.41599(9) 0.0463(5) Uani 1 1 d . A 1
H17A H 0.0350 0.4086 0.4324 0.056 Uiso 1 1 calc R A 1
C18 C 0.13884(16) 0.43051(8) 0.37708(8) 0.0360(4) Uani 1 1 d . A 1
H18A H 0.1063 0.4682 0.3668 0.043 Uiso 1 1 calc R A 1
C19 C 0.46490(15) 0.66343(8) 0.46913(7) 0.0318(4) Uani 1 1 d . A 1
C20 C 0.47090(13) 0.63020(7) 0.41103(7) 0.0246(3) Uani 1 1 d . A 1
C21 C 0.59742(14) 0.61432(8) 0.41415(8) 0.0304(4) Uani 1 1 d . A 1
C22 C 0.42588(13) 0.66752(7) 0.35454(7) 0.0268(4) Uani 1 1 d . A 1
C23 C 0.43826(17) 0.72814(8) 0.35462(9) 0.0404(4) Uani 1 1 d . A 1
H23A H 0.4747 0.7479 0.3908 0.049 Uiso 1 1 calc R A 1
C24 C 0.3977(2) 0.75960(10) 0.30221(10) 0.0550(6) Uani 1 1 d . A 1
H24A H 0.4059 0.8010 0.3026 0.066 Uiso 1 1 calc R A 1
C25 C 0.3455(2) 0.73156(11) 0.24969(10) 0.0560(6) Uani 1 1 d . A 1
H25A H 0.3170 0.7535 0.2139 0.067 Uiso 1 1 calc R A 1
C26 C 0.33471(17) 0.67160(10) 0.24882(8) 0.0453(5) Uani 1 1 d . A 1
H26A H 0.2991 0.6522 0.2124 0.054 Uiso 1 1 calc R A 1
C27 C 0.37546(15) 0.63954(8) 0.30079(7) 0.0331(4) Uani 1 1 d . A 1
H27A H 0.3689 0.5981 0.2997 0.040 Uiso 1 1 calc R A 1
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'
O O 0.0106 0.0060 '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'
K K 0.2009 0.2494 '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
O3 Cu1 O1 154.24(5) . .
O3 Cu1 O2 114.93(5) . .
O1 Cu1 O2 90.73(5) . .
O3 Cu1 K1 159.19(3) . .
O1 Cu1 K1 43.75(3) . .
O2 Cu1 K1 51.42(3) . .
O3 Cu1 K2 39.55(3) . .
O1 Cu1 K2 134.64(4) . .
O2 Cu1 K2 104.78(3) . .
K1 Cu1 K2 149.181(12) . .
O1 K1 O1 148.58(6) . 2
O1 K1 F11 100.94(4) . 2
O1 K1 F11 105.56(3) 2 2
O1 K1 F11 105.56(3) . .
O1 K1 F11 100.94(4) 2 .
F11 K1 F11 64.45(5) 2 .
O1 K1 O2 134.61(3) . 2
O1 K1 O2 56.33(3) 2 2
F11 K1 O2 54.54(3) 2 2
F11 K1 O2 96.78(4) . 2
O1 K1 O2 56.33(3) . .
O1 K1 O2 134.61(3) 2 .
F11 K1 O2 96.78(4) 2 .
F11 K1 O2 54.54(3) . .
O2 K1 O2 148.31(5) 2 .
O1 K1 F5 56.17(3) . .
O1 K1 F5 114.58(4) 2 .
F11 K1 F5 76.21(4) 2 .
F11 K1 F5 132.68(4) . .
O2 K1 F5 79.58(3) 2 .
O2 K1 F5 108.83(3) . .
O1 K1 F5 114.58(4) . 2
O1 K1 F5 56.17(3) 2 2
F11 K1 F5 132.68(4) 2 2
F11 K1 F5 76.21(4) . 2
O2 K1 F5 108.83(3) 2 2
O2 K1 F5 79.58(3) . 2
F5 K1 F5 149.88(6) . 2
O1 K1 F3 52.72(3) . .
O1 K1 F3 97.13(4) 2 .
F11 K1 F3 126.93(4) 2 .
F11 K1 F3 154.66(3) . .
O2 K1 F3 108.03(4) 2 .
O2 K1 F3 100.14(3) . .
F5 K1 F3 50.72(4) . .
F5 K1 F3 99.84(4) 2 .
O1 K1 F3 97.13(4) . 2
O1 K1 F3 52.72(3) 2 2
F11 K1 F3 154.66(3) 2 2
F11 K1 F3 126.93(4) . 2
O2 K1 F3 100.14(3) 2 2
O2 K1 F3 108.03(4) . 2
F5 K1 F3 99.84(4) . 2
F5 K1 F3 50.72(4) 2 2
F3 K1 F3 54.43(5) . 2
O1 K1 Cu1 28.33(2) . .
O1 K1 Cu1 144.06(3) 2 .
F11 K1 Cu1 108.65(2) 2 .
F11 K1 Cu1 84.31(2) . .
O2 K1 Cu1 159.13(2) 2 .
O2 K1 Cu1 30.32(2) . .
F5 K1 Cu1 84.39(2) . .
F5 K1 Cu1 91.72(2) 2 .
F3 K1 Cu1 70.68(2) . .
F3 K1 Cu1 95.67(2) 2 .
O1 K1 Cu1 144.06(3) . 2
O1 K1 Cu1 28.33(2) 2 2
F11 K1 Cu1 84.31(2) 2 2
F11 K1 Cu1 108.65(2) . 2
O2 K1 Cu1 30.32(2) 2 2
O2 K1 Cu1 159.13(2) . 2
F5 K1 Cu1 91.72(2) . 2
F5 K1 Cu1 84.39(2) 2 2
F3 K1 Cu1 95.67(2) . 2
F3 K1 Cu1 70.68(2) 2 2
Cu1 K1 Cu1 165.01(2) . 2
O3 K2 O3 180.00(4) 5_666 .
O3 K2 F9 64.08(3) 5_666 5_666
O3 K2 F9 115.92(3) . 5_666
O3 K2 F9 115.92(3) 5_666 .
O3 K2 F9 64.08(3) . .
F9 K2 F9 180.0 5_666 .
O3 K2 F16 59.83(3) 5_666 5_666
O3 K2 F16 120.17(3) . 5_666
F9 K2 F16 88.14(3) 5_666 5_666
F9 K2 F16 91.86(3) . 5_666
O3 K2 F16 120.17(3) 5_666 .
O3 K2 F16 59.83(3) . .
F9 K2 F16 91.86(3) 5_666 .
F9 K2 F16 88.14(3) . .
F16 K2 F16 180.00(3) 5_666 .
O3 K2 F14 54.53(3) 5_666 5_666
O3 K2 F14 125.47(3) . 5_666
F9 K2 F14 118.01(3) 5_666 5_666
F9 K2 F14 61.99(3) . 5_666
F16 K2 F14 55.47(3) 5_666 5_666
F16 K2 F14 124.53(3) . 5_666
O3 K2 F14 125.47(3) 5_666 .
O3 K2 F14 54.53(3) . .
F9 K2 F14 61.99(3) 5_666 .
F9 K2 F14 118.01(3) . .
F16 K2 F14 124.53(3) 5_666 .
F16 K2 F14 55.47(3) . .
F14 K2 F14 180.0 5_666 .
O3 K2 Cu1 154.40(2) 5_666 .
O3 K2 Cu1 25.60(2) . .
F9 K2 Cu1 122.11(2) 5_666 .
F9 K2 Cu1 57.89(2) . .
F16 K2 Cu1 94.72(2) 5_666 .
F16 K2 Cu1 85.28(2) . .
F14 K2 Cu1 110.40(2) 5_666 .
F14 K2 Cu1 69.60(2) . .
O3 K2 Cu1 25.60(2) 5_666 5_666
O3 K2 Cu1 154.40(2) . 5_666
F9 K2 Cu1 57.89(2) 5_666 5_666
F9 K2 Cu1 122.11(2) . 5_666
F16 K2 Cu1 85.28(2) 5_666 5_666
F16 K2 Cu1 94.72(2) . 5_666
F14 K2 Cu1 69.60(2) 5_666 5_666
F14 K2 Cu1 110.40(2) . 5_666
Cu1 K2 Cu1 180.0 . 5_666
C1 F3 K1 117.14(12) . .
C3 F5 K1 112.63(10) . .
C10 F9 K2 161.88(10) . .
C12 F11 K1 121.14(10) . .
C19 F14 K2 120.26(9) . .
C21 F16 K2 115.89(9) . .
C2 O1 Cu1 123.54(10) . .
C2 O1 K1 125.58(10) . .
Cu1 O1 K1 107.92(5) . .
C11 O2 Cu1 130.84(10) . .
C11 O2 K1 122.51(9) . .
Cu1 O2 K1 98.25(4) . .
C20 O3 Cu1 124.57(10) . .
C20 O3 K2 118.11(9) . .
Cu1 O3 K2 114.85(5) . .
F1 C1 F2 107.64(19) . .
F1 C1 F3 106.22(18) . .
F2 C1 F3 106.09(16) . .
F1 C1 C2 110.13(16) . .
F2 C1 C2 114.81(18) . .
F3 C1 C2 111.50(17) . .
O1 C2 C1 106.61(14) . .
O1 C2 C4 113.64(14) . .
C1 C2 C4 112.90(16) . .
O1 C2 C3 105.50(15) . .
C1 C2 C3 109.97(16) . .
C4 C2 C3 107.95(14) . .
F4 C3 F6 107.51(18) . .
F4 C3 F5 107.23(16) . .
F6 C3 F5 106.14(19) . .
F4 C3 C2 112.70(19) . .
F6 C3 C2 111.19(16) . .
F5 C3 C2 111.73(17) . .
C5 C4 C9 118.42(16) . .
C5 C4 C2 123.89(16) . .
C9 C4 C2 117.67(16) . .
C4 C5 C6 120.24(18) . .
C4 C5 H5A 119.9 . .
C6 C5 H5A 119.9 . .
C7 C6 C5 120.17(19) . .
C7 C6 H6A 119.9 . .
C5 C6 H6A 119.9 . .
C8 C7 C6 120.07(18) . .
C8 C7 H7A 120.0 . .
C6 C7 H7A 120.0 . .
C7 C8 C9 120.19(19) . .
C7 C8 H8A 119.9 . .
C9 C8 H8A 119.9 . .
C8 C9 C4 120.88(18) . .
C8 C9 H9A 119.6 . .
C4 C9 H9A 119.6 . .
F8 C10 F7 106.87(14) . .
F8 C10 F9 106.37(14) . .
F7 C10 F9 105.98(14) . .
F8 C10 C11 112.42(15) . .
F7 C10 C11 114.43(14) . .
F9 C10 C11 110.26(13) . .
O2 C11 C13 114.25(13) . .
O2 C11 C12 104.53(13) . .
C13 C11 C12 109.34(14) . .
O2 C11 C10 110.18(14) . .
C13 C11 C10 110.14(14) . .
C12 C11 C10 108.11(13) . .
F12 C12 F10 107.10(14) . .
F12 C12 F11 106.89(15) . .
F10 C12 F11 106.35(15) . .
F12 C12 C11 112.37(15) . .
F10 C12 C11 113.86(15) . .
F11 C12 C11 109.86(14) . .
C18 C13 C14 118.78(17) . .
C18 C13 C11 117.73(16) . .
C14 C13 C11 123.49(16) . .
C15 C14 C13 120.14(19) . .
C15 C14 H14A 119.9 . .
C13 C14 H14A 119.9 . .
C16 C15 C14 120.5(2) . .
C16 C15 H15A 119.8 . .
C14 C15 H15A 119.8 . .
C15 C16 C17 120.00(19) . .
C15 C16 H16A 120.0 . .
C17 C16 H16A 120.0 . .
C16 C17 C18 119.9(2) . .
C16 C17 H17A 120.1 . .
C18 C17 H17A 120.1 . .
C17 C18 C13 120.72(19) . .
C17 C18 H18A 119.6 . .
C13 C18 H18A 119.6 . .
F13 C19 F14 106.83(13) . .
F13 C19 F15 107.05(14) . .
F14 C19 F15 105.96(13) . .
F13 C19 C20 110.33(13) . .
F14 C19 C20 111.25(14) . .
F15 C19 C20 115.00(13) . .
O3 C20 C22 114.62(13) . .
O3 C20 C21 107.28(13) . .
C22 C20 C21 108.09(12) . .
O3 C20 C19 105.85(12) . .
C22 C20 C19 111.87(13) . .
C21 C20 C19 108.93(13) . .
F17 C21 F18 107.64(13) . .
F17 C21 F16 107.00(13) . .
F18 C21 F16 105.91(14) . .
F17 C21 C20 113.13(14) . .
F18 C21 C20 111.03(14) . .
F16 C21 C20 111.75(13) . .
C27 C22 C23 118.82(16) . .
C27 C22 C20 118.71(15) . .
C23 C22 C20 122.41(15) . .
C24 C23 C22 120.07(19) . .
C24 C23 H23A 120.0 . .
C22 C23 H23A 120.0 . .
C25 C24 C23 120.5(2) . .
C25 C24 H24A 119.7 . .
C23 C24 H24A 119.7 . .
C24 C25 C26 119.93(18) . .
C24 C25 H25A 120.0 . .
C26 C25 H25A 120.0 . .
C25 C26 C27 120.20(19) . .
C25 C26 H26A 119.9 . .
C27 C26 H26A 119.9 . .
C26 C27 C22 120.43(18) . .
C26 C27 H27A 119.8 . .
C22 C27 H27A 119.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O3 1.8336(11) .
Cu1 O1 1.8429(11) .
Cu1 O2 1.8850(11) .
Cu1 K1 3.6948(3) .
Cu1 K2 3.8507(2) .
K1 O1 2.6852(11) .
K1 O1 2.6852(11) 2
K1 F11 2.8687(14) 2
K1 F11 2.8687(14) .
K1 O2 2.9187(11) 2
K1 O2 2.9187(11) .
K1 F5 3.0645(13) .
K1 F5 3.0645(13) 2
K1 F3 3.1484(15) .
K1 F3 3.1484(15) 2
K1 Cu1 3.6948(3) 2
K2 O3 2.7021(11) 5_666
K2 O3 2.7021(11) .
K2 F9 2.7145(10) 5_666
K2 F9 2.7145(10) .
K2 F16 2.8212(11) 5_666
K2 F16 2.8212(11) .
K2 F14 2.9463(11) 5_666
K2 F14 2.9463(11) .
K2 Cu1 3.8507(2) 5_666
F1 C1 1.334(3) .
F2 C1 1.335(2) .
F3 C1 1.337(2) .
F4 C3 1.323(2) .
F5 C3 1.342(2) .
F6 C3 1.326(3) .
F7 C10 1.336(2) .
F8 C10 1.322(2) .
F9 C10 1.349(2) .
F10 C12 1.335(2) .
F11 C12 1.339(2) .
F12 C12 1.327(2) .
F13 C19 1.329(2) .
F14 C19 1.3390(19) .
F15 C19 1.340(2) .
F16 C21 1.3530(19) .
F17 C21 1.3250(19) .
F18 C21 1.328(2) .
O1 C2 1.3821(19) .
O2 C11 1.374(2) .
O3 C20 1.3869(19) .
C1 C2 1.532(3) .
C2 C4 1.535(2) .
C2 C3 1.547(3) .
C4 C5 1.387(3) .
C4 C9 1.396(2) .
C5 C6 1.389(3) .
C5 H5A 0.9500 .
C6 C7 1.382(3) .
C6 H6A 0.9500 .
C7 C8 1.365(3) .
C7 H7A 0.9500 .
C8 C9 1.379(3) .
C8 H8A 0.9500 .
C9 H9A 0.9500 .
C10 C11 1.548(2) .
C11 C13 1.543(2) .
C11 C12 1.544(2) .
C13 C18 1.387(3) .
C13 C14 1.389(3) .
C14 C15 1.386(3) .
C14 H14A 0.9500 .
C15 C16 1.374(3) .
C15 H15A 0.9500 .
C16 C17 1.375(3) .
C16 H16A 0.9500 .
C17 C18 1.386(3) .
C17 H17A 0.9500 .
C18 H18A 0.9500 .
C19 C20 1.547(2) .
C20 C22 1.533(2) .
C20 C21 1.538(2) .
C22 C27 1.388(2) .
C22 C23 1.392(2) .
C23 C24 1.381(3) .
C23 H23A 0.9500 .
C24 C25 1.371(3) .
C24 H24A 0.9500 .
C25 C26 1.374(3) .
C25 H25A 0.9500 .
C26 C27 1.381(3) .
C26 H26A 0.9500 .
C27 H27A 0.9500 .
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
O3 Cu1 K1 O1 -156.56(12) . .
O2 Cu1 K1 O1 148.98(7) . .
K2 Cu1 K1 O1 103.42(6) . .
O3 Cu1 K1 O1 -36.21(12) . 2
O1 Cu1 K1 O1 120.35(11) . 2
O2 Cu1 K1 O1 -90.67(7) . 2
K2 Cu1 K1 O1 -136.23(5) . 2
O3 Cu1 K1 F11 125.20(10) . 2
O1 Cu1 K1 F11 -78.24(6) . 2
O2 Cu1 K1 F11 70.73(5) . 2
K2 Cu1 K1 F11 25.17(3) . 2
O3 Cu1 K1 F11 64.61(11) . .
O1 Cu1 K1 F11 -138.84(6) . .
O2 Cu1 K1 F11 10.14(5) . .
K2 Cu1 K1 F11 -35.42(3) . .
O3 Cu1 K1 O2 158.74(12) . 2
O1 Cu1 K1 O2 -44.70(10) . 2
O2 Cu1 K1 O2 104.27(12) . 2
K2 Cu1 K1 O2 58.72(9) . 2
O3 Cu1 K1 O2 54.47(11) . .
O1 Cu1 K1 O2 -148.98(7) . .
K2 Cu1 K1 O2 -45.56(4) . .
O3 Cu1 K1 F5 -161.41(11) . .
O1 Cu1 K1 F5 -4.86(6) . .
O2 Cu1 K1 F5 144.12(5) . .
K2 Cu1 K1 F5 98.56(3) . .
O3 Cu1 K1 F5 -11.35(11) . 2
O1 Cu1 K1 F5 145.21(7) . 2
O2 Cu1 K1 F5 -65.82(5) . 2
K2 Cu1 K1 F5 -111.37(3) . 2
O3 Cu1 K1 F3 -111.18(11) . .
O1 Cu1 K1 F3 45.38(6) . .
O2 Cu1 K1 F3 -165.65(5) . .
K2 Cu1 K1 F3 148.80(3) . .
O3 Cu1 K1 F3 -62.04(11) . 2
O1 Cu1 K1 F3 94.52(6) . 2
O2 Cu1 K1 F3 -116.51(5) . 2
K2 Cu1 K1 F3 -162.07(3) . 2
O3 Cu1 K1 Cu1 -85.92(10) . 2
O1 Cu1 K1 Cu1 70.64(6) . 2
O2 Cu1 K1 Cu1 -140.38(4) . 2
K2 Cu1 K1 Cu1 174.059(10) . 2
O3 Cu1 K2 O3 180.0 . 5_666
O1 Cu1 K2 O3 37.62(8) . 5_666
O2 Cu1 K2 O3 -68.58(6) . 5_666
K1 Cu1 K2 O3 -33.33(6) . 5_666
O1 Cu1 K2 O3 -142.38(8) . .
O2 Cu1 K2 O3 111.42(6) . .
K1 Cu1 K2 O3 146.67(6) . .
O3 Cu1 K2 F9 83.37(6) . 5_666
O1 Cu1 K2 F9 -59.01(6) . 5_666
O2 Cu1 K2 F9 -165.22(4) . 5_666
K1 Cu1 K2 F9 -129.96(3) . 5_666
O3 Cu1 K2 F9 -96.63(6) . .
O1 Cu1 K2 F9 120.99(6) . .
O2 Cu1 K2 F9 14.78(4) . .
K1 Cu1 K2 F9 50.04(3) . .
O3 Cu1 K2 F16 174.13(6) . 5_666
O1 Cu1 K2 F16 31.75(6) . 5_666
O2 Cu1 K2 F16 -74.46(4) . 5_666
K1 Cu1 K2 F16 -39.20(3) . 5_666
O3 Cu1 K2 F16 -5.87(6) . .
O1 Cu1 K2 F16 -148.25(6) . .
O2 Cu1 K2 F16 105.54(4) . .
K1 Cu1 K2 F16 140.80(3) . .
O3 Cu1 K2 F14 -131.05(6) . 5_666
O1 Cu1 K2 F14 86.57(6) . 5_666
O2 Cu1 K2 F14 -19.63(4) . 5_666
K1 Cu1 K2 F14 15.63(2) . 5_666
O3 Cu1 K2 F14 48.95(6) . .
O1 Cu1 K2 F14 -93.43(6) . .
O2 Cu1 K2 F14 160.37(4) . .
K1 Cu1 K2 F14 -164.37(2) . .
O3 Cu1 K2 Cu1 -140(100) . 5_666
O1 Cu1 K2 Cu1 77(100) . 5_666
O2 Cu1 K2 Cu1 -29(100) . 5_666
K1 Cu1 K2 Cu1 6(100) . 5_666
O1 K1 F3 C1 -6.11(14) . .
O1 K1 F3 C1 -176.38(15) 2 .
F11 K1 F3 C1 68.00(15) 2 .
F11 K1 F3 C1 -41.06(19) . .
O2 K1 F3 C1 126.77(15) 2 .
O2 K1 F3 C1 -38.53(15) . .
F5 K1 F3 C1 67.56(14) . .
F5 K1 F3 C1 -119.59(15) 2 .
F3 K1 F3 C1 -143.52(18) 2 .
Cu1 K1 F3 C1 -31.23(14) . .
Cu1 K1 F3 C1 155.14(15) 2 .
O1 K1 F5 C3 -11.58(14) . .
O1 K1 F5 C3 -156.97(15) 2 .
F11 K1 F5 C3 101.98(15) 2 .
F11 K1 F5 C3 68.13(16) . .
O2 K1 F5 C3 157.78(15) 2 .
O2 K1 F5 C3 9.42(16) . .
F5 K1 F5 C3 -92.53(15) 2 .
F3 K1 F5 C3 -78.38(15) . .
F3 K1 F5 C3 -103.61(15) 2 .
Cu1 K1 F5 C3 -8.80(15) . .
Cu1 K1 F5 C3 -174.30(15) 2 .
O3 K2 F9 C10 164.4(3) 5_666 .
O3 K2 F9 C10 -15.6(3) . .
F9 K2 F9 C10 120(100) 5_666 .
F16 K2 F9 C10 107.3(3) 5_666 .
F16 K2 F9 C10 -72.7(3) . .
F14 K2 F9 C10 156.0(3) 5_666 .
F14 K2 F9 C10 -24.0(3) . .
Cu1 K2 F9 C10 12.9(3) . .
Cu1 K2 F9 C10 -167.1(3) 5_666 .
O1 K1 F11 C12 -45.17(13) . .
O1 K1 F11 C12 117.79(12) 2 .
F11 K1 F11 C12 -140.06(14) 2 .
O2 K1 F11 C12 174.71(12) 2 .
O2 K1 F11 C12 -19.99(11) . .
F5 K1 F11 C12 -103.22(12) . .
F5 K1 F11 C12 66.93(12) 2 .
F3 K1 F11 C12 -16.93(17) . .
F3 K1 F11 C12 66.58(13) 2 .
Cu1 K1 F11 C12 -26.25(12) . .
Cu1 K1 F11 C12 146.03(11) 2 .
O3 K2 F14 C19 164.59(11) 5_666 .
O3 K2 F14 C19 -15.41(11) . .
F9 K2 F14 C19 173.84(12) 5_666 .
F9 K2 F14 C19 -6.16(12) . .
F16 K2 F14 C19 -120.41(11) 5_666 .
F16 K2 F14 C19 59.59(11) . .
F14 K2 F14 C19 -115(100) 5_666 .
Cu1 K2 F14 C19 -39.00(11) . .
Cu1 K2 F14 C19 141.00(11) 5_666 .
O3 K2 F16 C21 170.07(10) 5_666 .
O3 K2 F16 C21 -9.93(10) . .
F9 K2 F16 C21 -129.08(11) 5_666 .
F9 K2 F16 C21 50.92(11) . .
F16 K2 F16 C21 67(100) 5_666 .
F14 K2 F16 C21 104.57(11) 5_666 .
F14 K2 F16 C21 -75.43(11) . .
Cu1 K2 F16 C21 -7.00(11) . .
Cu1 K2 F16 C21 173.00(11) 5_666 .
O3 Cu1 O1 C2 -0.4(2) . .
O2 Cu1 O1 C2 174.78(13) . .
K1 Cu1 O1 C2 -161.45(16) . .
K2 Cu1 O1 C2 63.00(14) . .
O3 Cu1 O1 K1 161.02(9) . .
O2 Cu1 O1 K1 -23.76(6) . .
K2 Cu1 O1 K1 -135.55(3) . .
O1 K1 O1 C2 57.31(12) 2 .
F11 K1 O1 C2 -89.90(13) 2 .
F11 K1 O1 C2 -156.19(12) . .
O2 K1 O1 C2 -39.63(15) 2 .
O2 K1 O1 C2 179.19(14) . .
F5 K1 O1 C2 -24.85(12) . .
F5 K1 O1 C2 122.13(12) 2 .
F3 K1 O1 C2 38.56(12) . .
F3 K1 O1 C2 72.25(13) 2 .
Cu1 K1 O1 C2 160.98(16) . .
Cu1 K1 O1 C2 5.53(15) 2 .
O1 K1 O1 Cu1 -103.66(5) 2 .
F11 K1 O1 Cu1 109.12(5) 2 .
F11 K1 O1 Cu1 42.84(6) . .
O2 K1 O1 Cu1 159.39(5) 2 .
O2 K1 O1 Cu1 18.22(4) . .
F5 K1 O1 Cu1 174.18(8) . .
F5 K1 O1 Cu1 -38.84(7) 2 .
F3 K1 O1 Cu1 -122.42(7) . .
F3 K1 O1 Cu1 -88.73(6) 2 .
Cu1 K1 O1 Cu1 -155.44(3) 2 .
O3 Cu1 O2 C11 51.10(14) . .
O1 Cu1 O2 C11 -126.61(13) . .
K1 Cu1 O2 C11 -147.49(15) . .
K2 Cu1 O2 C11 10.28(13) . .
O3 Cu1 O2 K1 -161.41(4) . .
O1 Cu1 O2 K1 20.88(5) . .
K2 Cu1 O2 K1 157.77(2) . .
O1 K1 O2 C11 134.08(11) . .
O1 K1 O2 C11 -84.37(12) 2 .
F11 K1 O2 C11 35.43(10) 2 .
F11 K1 O2 C11 -16.40(10) . .
O2 K1 O2 C11 12.26(10) 2 .
F5 K1 O2 C11 113.13(10) . .
F5 K1 O2 C11 -96.81(11) 2 .
F3 K1 O2 C11 164.92(10) . .
F3 K1 O2 C11 -139.36(10) 2 .
Cu1 K1 O2 C11 151.17(12) . .
Cu1 K1 O2 C11 -56.40(15) 2 .
O1 K1 O2 Cu1 -17.09(4) . .
O1 K1 O2 Cu1 124.46(6) 2 .
F11 K1 O2 Cu1 -115.74(5) 2 .
F11 K1 O2 Cu1 -167.58(6) . .
O2 K1 O2 Cu1 -138.91(4) 2 .
F5 K1 O2 Cu1 -38.04(6) . .
F5 K1 O2 Cu1 112.01(5) 2 .
F3 K1 O2 Cu1 13.75(5) . .
F3 K1 O2 Cu1 69.47(5) 2 .
Cu1 K1 O2 Cu1 152.43(6) 2 .
O1 Cu1 O3 C20 -70.10(17) . .
O2 Cu1 O3 C20 115.17(11) . .
K1 Cu1 O3 C20 70.62(16) . .
K2 Cu1 O3 C20 -161.78(14) . .
O1 Cu1 O3 K2 91.68(12) . .
O2 Cu1 O3 K2 -83.04(6) . .
K1 Cu1 O3 K2 -127.60(8) . .
O3 K2 O3 C20 -162(100) 5_666 .
F9 K2 O3 C20 52.33(10) 5_666 .
F9 K2 O3 C20 -127.67(10) . .
F16 K2 O3 C20 156.26(9) 5_666 .
F16 K2 O3 C20 -23.74(9) . .
F14 K2 O3 C20 -136.75(9) 5_666 .
F14 K2 O3 C20 43.25(9) . .
Cu1 K2 O3 C20 163.03(13) . .
Cu1 K2 O3 C20 -16.97(13) 5_666 .
O3 K2 O3 Cu1 35(100) 5_666 .
F9 K2 O3 Cu1 -110.70(5) 5_666 .
F9 K2 O3 Cu1 69.30(5) . .
F16 K2 O3 Cu1 -6.77(7) 5_666 .
F16 K2 O3 Cu1 173.23(7) . .
F14 K2 O3 Cu1 60.22(6) 5_666 .
F14 K2 O3 Cu1 -119.78(6) . .
Cu1 K2 O3 Cu1 180.0 5_666 .
K1 F3 C1 F1 101.25(16) . .
K1 F3 C1 F2 -144.40(14) . .
K1 F3 C1 C2 -18.7(2) . .
Cu1 O1 C2 C1 94.29(15) . .
K1 O1 C2 C1 -63.86(17) . .
Cu1 O1 C2 C4 -30.7(2) . .
K1 O1 C2 C4 171.12(10) . .
Cu1 O1 C2 C3 -148.79(12) . .
K1 O1 C2 C3 53.06(18) . .
F1 C1 C2 O1 -71.10(19) . .
F2 C1 C2 O1 167.23(16) . .
F3 C1 C2 O1 46.6(2) . .
F1 C1 C2 C4 54.4(2) . .
F2 C1 C2 C4 -67.3(2) . .
F3 C1 C2 C4 172.02(15) . .
F1 C1 C2 C3 174.99(15) . .
F2 C1 C2 C3 53.3(2) . .
F3 C1 C2 C3 -67.4(2) . .
K1 F5 C3 F4 164.29(14) . .
K1 F5 C3 F6 -81.02(15) . .
K1 F5 C3 C2 40.3(2) . .
O1 C2 C3 F4 -179.76(16) . .
C1 C2 C3 F4 -65.2(2) . .
C4 C2 C3 F4 58.4(2) . .
O1 C2 C3 F6 59.44(19) . .
C1 C2 C3 F6 174.06(16) . .
C4 C2 C3 F6 -62.4(2) . .
O1 C2 C3 F5 -59.0(2) . .
C1 C2 C3 F5 55.7(2) . .
C4 C2 C3 F5 179.23(17) . .
O1 C2 C4 C5 143.71(17) . .
C1 C2 C4 C5 22.1(2) . .
C3 C2 C4 C5 -99.6(2) . .
O1 C2 C4 C9 -37.7(2) . .
C1 C2 C4 C9 -159.28(16) . .
C3 C2 C4 C9 78.94(19) . .
C9 C4 C5 C6 2.2(3) . .
C2 C4 C5 C6 -179.22(16) . .
C4 C5 C6 C7 -1.4(3) . .
C5 C6 C7 C8 -0.5(3) . .
C6 C7 C8 C9 1.4(3) . .
C7 C8 C9 C4 -0.5(3) . .
C5 C4 C9 C8 -1.3(3) . .
C2 C4 C9 C8 -179.96(16) . .
K2 F9 C10 F8 62.7(4) . .
K2 F9 C10 F7 176.2(2) . .
K2 F9 C10 C11 -59.5(4) . .
Cu1 O2 C11 C13 64.39(18) . .
K1 O2 C11 C13 -76.50(14) . .
Cu1 O2 C11 C12 -176.14(10) . .
K1 O2 C11 C12 42.97(15) . .
Cu1 O2 C11 C10 -60.20(17) . .
K1 O2 C11 C10 158.90(9) . .
F8 C10 C11 O2 -39.26(18) . .
F7 C10 C11 O2 -161.41(14) . .
F9 C10 C11 O2 79.25(17) . .
F8 C10 C11 C13 -166.18(13) . .
F7 C10 C11 C13 71.67(18) . .
F9 C10 C11 C13 -47.67(18) . .
F8 C10 C11 C12 74.41(18) . .
F7 C10 C11 C12 -47.7(2) . .
F9 C10 C11 C12 -167.08(14) . .
K1 F11 C12 F12 -72.61(15) . .
K1 F11 C12 F10 173.23(9) . .
K1 F11 C12 C11 49.58(18) . .
O2 C11 C12 F12 61.59(18) . .
C13 C11 C12 F12 -175.68(15) . .
C10 C11 C12 F12 -55.8(2) . .
O2 C11 C12 F10 -176.42(14) . .
C13 C11 C12 F10 -53.7(2) . .
C10 C11 C12 F10 66.21(19) . .
O2 C11 C12 F11 -57.28(18) . .
C13 C11 C12 F11 65.45(19) . .
C10 C11 C12 F11 -174.64(15) . .
O2 C11 C13 C18 12.6(2) . .
C12 C11 C13 C18 -104.08(18) . .
C10 C11 C13 C18 137.26(16) . .
O2 C11 C13 C14 -167.86(15) . .
C12 C11 C13 C14 75.4(2) . .
C10 C11 C13 C14 -43.2(2) . .
C18 C13 C14 C15 -1.5(3) . .
C11 C13 C14 C15 179.02(16) . .
C13 C14 C15 C16 0.2(3) . .
C14 C15 C16 C17 1.1(3) . .
C15 C16 C17 C18 -1.0(3) . .
C16 C17 C18 C13 -0.3(3) . .
C14 C13 C18 C17 1.6(3) . .
C11 C13 C18 C17 -178.90(16) . .
K2 F14 C19 F13 111.71(12) . .
K2 F14 C19 F15 -134.39(10) . .
K2 F14 C19 C20 -8.75(17) . .
Cu1 O3 C20 C22 -27.99(18) . .
K2 O3 C20 C22 170.77(9) . .
Cu1 O3 C20 C21 -148.01(10) . .
K2 O3 C20 C21 50.75(14) . .
Cu1 O3 C20 C19 95.79(13) . .
K2 O3 C20 C19 -65.45(13) . .
F13 C19 C20 O3 -74.68(16) . .
F14 C19 C20 O3 43.69(17) . .
F15 C19 C20 O3 164.14(13) . .
F13 C19 C20 C22 50.81(18) . .
F14 C19 C20 C22 169.19(13) . .
F15 C19 C20 C22 -70.36(18) . .
F13 C19 C20 C21 170.25(13) . .
F14 C19 C20 C21 -71.38(17) . .
F15 C19 C20 C21 49.07(19) . .
K2 F16 C21 F17 162.80(9) . .
K2 F16 C21 F18 -82.57(13) . .
K2 F16 C21 C20 38.46(16) . .
O3 C20 C21 F17 -179.25(13) . .
C22 C20 C21 F17 56.64(18) . .
C19 C20 C21 F17 -65.11(18) . .
O3 C20 C21 F18 59.60(16) . .
C22 C20 C21 F18 -64.50(17) . .
C19 C20 C21 F18 173.74(13) . .
O3 C20 C21 F16 -58.41(17) . .
C22 C20 C21 F16 177.49(13) . .
C19 C20 C21 F16 55.73(18) . .
O3 C20 C22 C27 -30.0(2) . .
C21 C20 C22 C27 89.61(17) . .
C19 C20 C22 C27 -150.46(15) . .
O3 C20 C22 C23 152.92(15) . .
C21 C20 C22 C23 -87.52(19) . .
C19 C20 C22 C23 32.4(2) . .
C27 C22 C23 C24 1.9(3) . .
C20 C22 C23 C24 179.00(17) . .
C22 C23 C24 C25 -0.4(3) . .
C23 C24 C25 C26 -0.8(3) . .
C24 C25 C26 C27 0.4(3) . .
C25 C26 C27 C22 1.1(3) . .
C23 C22 C27 C26 -2.2(3) . .
C20 C22 C27 C26 -179.48(16) . .
