#------------------------------------------------------------------------------
#$Date: 2025-08-22 17:55:42 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301864 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/21/76/7217655.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_7217655
loop_
_publ_author_name
'Hori, Akiko'
'Nakajima, Kyosuke'
'Akimoto, Yuuki'
'Naganuma, Kohei'
'Yuge, Hidetaka'
_publ_section_title
;
 Guest-adjusted encapsulation and thermal studies of non-porous
 mononuclear Cu(ii) coordination complexes through electrostatic
 interactions induced by fluorine substitution
;
_journal_issue                   37
_journal_name_full               CrystEngComm
_journal_page_first              8805
_journal_paper_doi               10.1039/C4CE01243G
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C30 H10 Cu F12 O4'
_chemical_formula_sum            'C30 H10 Cu F12 O4'
_chemical_formula_weight         725.93
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                88.023(4)
_cell_angle_beta                 86.760(3)
_cell_angle_gamma                86.128(4)
_cell_formula_units_Z            2
_cell_length_a                   7.225(2)
_cell_length_b                   10.922(4)
_cell_length_c                   16.756(5)
_cell_measurement_reflns_used    6437
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.94
_cell_measurement_theta_min      2.44
_cell_volume                     1316.5(7)
_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      100
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_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  0.0217
_diffrn_reflns_av_sigmaI/netI    0.0281
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            14887
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.20
_exptl_absorpt_coefficient_mu    0.954
_exptl_absorpt_correction_T_max  0.9106
_exptl_absorpt_correction_T_min  0.8034
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS Sheldrick 1996
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.831
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             718
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.347
_refine_diff_density_min         -0.401
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     427
_refine_ls_number_reflns         5890
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0355P)²+0.6916P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0707
_refine_ls_wR_factor_ref         0.0752
_reflns_number_gt                4918
_reflns_number_total             5890
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce01243g2.cif
_cod_data_source_block           110905b2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7217645--7217660.cif.

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               7217655
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Cu1 Cu 0.5000 0.5000 0.0000 0.01752(8) Uani 1 2 d S
Cu2 Cu 1.0000 0.0000 0.5000 0.01477(8) Uani 1 2 d S
O1 O 0.30152(17) 0.62039(12) -0.01822(7) 0.0207(3) Uani 1 1 d .
O2 O 0.40355(17) 0.45523(12) 0.10465(7) 0.0207(3) Uani 1 1 d .
O3 O 0.91056(17) 0.12497(11) 0.42608(7) 0.0188(3) Uani 1 1 d .
O4 O 0.80008(17) 0.03246(11) 0.57862(7) 0.0179(3) Uani 1 1 d .
C1 C 0.0679(3) 0.83775(18) -0.04953(11) 0.0219(4) Uani 1 1 d .
C2 C -0.0574(3) 0.92621(18) -0.07892(12) 0.0268(4) Uani 1 1 d .
H2 H -0.0179 0.9939 -0.1111 0.032 Uiso 1 1 calc R
C3 C -0.2423(3) 0.91195(19) -0.05951(12) 0.0269(4) Uani 1 1 d .
C4 C -0.3058(3) 0.81442(19) -0.01507(11) 0.0239(4) Uani 1 1 d .
H4 H -0.4347 0.8057 -0.0037 0.029 Uiso 1 1 calc R
C5 C -0.1726(3) 0.72965(17) 0.01230(10) 0.0190(4) Uani 1 1 d .
C6 C 0.0185(2) 0.73630(16) -0.00223(10) 0.0172(4) Uani 1 1 d .
C7 C 0.1601(2) 0.64314(16) 0.02921(11) 0.0179(4) Uani 1 1 d .
C8 C 0.1322(3) 0.59139(17) 0.10604(11) 0.0199(4) Uani 1 1 d .
H8 H 0.0225 0.6165 0.1368 0.024 Uiso 1 1 calc R
C9 C 0.2583(2) 0.50440(17) 0.13985(10) 0.0181(4) Uani 1 1 d .
C10 C 0.2229(2) 0.46187(17) 0.22530(10) 0.0185(4) Uani 1 1 d .
C11 C 0.2447(3) 0.33911(18) 0.25032(11) 0.0222(4) Uani 1 1 d .
C12 C 0.2185(3) 0.29686(19) 0.32859(11) 0.0244(4) Uani 1 1 d .
H12 H 0.2326 0.2120 0.3430 0.029 Uiso 1 1 calc R
C13 C 0.1710(3) 0.38416(19) 0.38435(11) 0.0232(4) Uani 1 1 d .
C14 C 0.1482(3) 0.50721(19) 0.36591(11) 0.0249(4) Uani 1 1 d .
H14 H 0.1153 0.5654 0.4060 0.030 Uiso 1 1 calc R
C15 C 0.1751(3) 0.54278(18) 0.28647(11) 0.0222(4) Uani 1 1 d .
C16 C 0.7446(3) 0.27333(17) 0.29332(11) 0.0205(4) Uani 1 1 d .
C17 C 0.7196(3) 0.36443(18) 0.23476(11) 0.0226(4) Uani 1 1 d .
H17 H 0.7295 0.3470 0.1795 0.027 Uiso 1 1 calc R
C18 C 0.6795(3) 0.48174(18) 0.26106(11) 0.0220(4) Uani 1 1 d .
C19 C 0.6609(3) 0.51054(17) 0.34041(12) 0.0223(4) Uani 1 1 d .
H19 H 0.6321 0.5924 0.3567 0.027 Uiso 1 1 calc R
C20 C 0.6862(2) 0.41485(18) 0.39500(11) 0.0197(4) Uani 1 1 d .
C21 C 0.7292(2) 0.29373(17) 0.37516(10) 0.0168(4) Uani 1 1 d .
C22 C 0.7631(2) 0.19419(16) 0.43734(10) 0.0166(4) Uani 1 1 d .
C23 C 0.6341(3) 0.18657(17) 0.50221(11) 0.0198(4) Uani 1 1 d .
H23 H 0.5228 0.2380 0.5012 0.024 Uiso 1 1 calc R
C24 C 0.6596(2) 0.10744(16) 0.56847(11) 0.0164(3) Uani 1 1 d .
C25 C 0.5142(2) 0.11394(16) 0.63578(10) 0.0167(4) Uani 1 1 d .
C26 C 0.5591(2) 0.11220(17) 0.71596(11) 0.0196(4) Uani 1 1 d .
C27 C 0.4292(3) 0.12891(17) 0.77862(11) 0.0216(4) Uani 1 1 d .
H27 H 0.4649 0.1304 0.8323 0.026 Uiso 1 1 calc R
C28 C 0.2459(3) 0.14330(17) 0.76047(11) 0.0196(4) Uani 1 1 d .
C29 C 0.1865(2) 0.14138(16) 0.68400(11) 0.0188(4) Uani 1 1 d .
H29 H 0.0585 0.1491 0.6732 0.023 Uiso 1 1 calc R
C30 C 0.3239(2) 0.12759(16) 0.62396(10) 0.0164(4) Uani 1 1 d .
F1 F 0.24957(16) 0.85528(11) -0.06533(8) 0.0325(3) Uani 1 1 d .
F2 F -0.36800(18) 0.99845(13) -0.08611(8) 0.0426(3) Uani 1 1 d .
F3 F -0.23478(15) 0.63180(10) 0.05495(7) 0.0261(3) Uani 1 1 d .
F4 F 0.28837(19) 0.25451(11) 0.19489(7) 0.0352(3) Uani 1 1 d .
F5 F 0.14264(18) 0.34692(12) 0.46167(7) 0.0332(3) Uani 1 1 d .
F6 F 0.15779(19) 0.66399(11) 0.26832(7) 0.0354(3) Uani 1 1 d .
F7 F 0.78177(18) 0.15758(10) 0.26972(7) 0.0322(3) Uani 1 1 d .
F8 F 0.65655(18) 0.57420(11) 0.20651(7) 0.0327(3) Uani 1 1 d .
F9 F 0.67542(17) 0.44285(10) 0.47318(6) 0.0300(3) Uani 1 1 d .
F10 F 0.73854(15) 0.09757(11) 0.73343(6) 0.0277(3) Uani 1 1 d .
F11 F 0.11661(15) 0.16032(11) 0.82119(6) 0.0258(3) Uani 1 1 d .
F12 F 0.26795(14) 0.12652(10) 0.54847(6) 0.0223(2) Uani 1 1 d .
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'
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
O1 Cu1 O1 180.0 2_665 .
O1 Cu1 O2 93.76(5) 2_665 2_665
O1 Cu1 O2 86.24(5) . 2_665
O1 Cu1 O2 86.24(5) 2_665 .
O1 Cu1 O2 93.76(5) . .
O2 Cu1 O2 180.00(3) 2_665 .
O3 Cu2 O3 180.0 . 2_756
O3 Cu2 O4 94.10(5) . .
O3 Cu2 O4 85.90(5) 2_756 .
O3 Cu2 O4 85.90(5) . 2_756
O3 Cu2 O4 94.10(5) 2_756 2_756
O4 Cu2 O4 180.0 . 2_756
C7 O1 Cu1 125.73(11) . .
C9 O2 Cu1 125.46(12) . .
C22 O3 Cu2 125.03(11) . .
C24 O4 Cu2 124.86(11) . .
F1 C1 C2 116.68(17) . .
F1 C1 C6 119.06(16) . .
C2 C1 C6 124.19(18) . .
C3 C2 C1 116.86(18) . .
C3 C2 H2 121.6 . .
C1 C2 H2 121.6 . .
F2 C3 C4 118.21(18) . .
F2 C3 C2 118.18(19) . .
C4 C3 C2 123.61(18) . .
C3 C4 C5 116.27(18) . .
C3 C4 H4 121.9 . .
C5 C4 H4 121.9 . .
F3 C5 C4 116.49(16) . .
F3 C5 C6 118.53(16) . .
C4 C5 C6 124.96(17) . .
C5 C6 C1 114.08(16) . .
C5 C6 C7 123.66(16) . .
C1 C6 C7 122.26(16) . .
O1 C7 C8 125.56(16) . .
O1 C7 C6 114.78(15) . .
C8 C7 C6 119.63(16) . .
C7 C8 C9 123.09(17) . .
C7 C8 H8 118.5 . .
C9 C8 H8 118.5 . .
O2 C9 C8 125.97(16) . .
O2 C9 C10 115.11(15) . .
C8 C9 C10 118.92(16) . .
C15 C10 C11 114.50(17) . .
C15 C10 C9 122.58(17) . .
C11 C10 C9 122.84(17) . .
F4 C11 C12 117.02(18) . .
F4 C11 C10 118.41(16) . .
C12 C11 C10 124.54(18) . .
C13 C12 C11 116.36(18) . .
C13 C12 H12 121.8 . .
C11 C12 H12 121.8 . .
F5 C13 C14 118.04(18) . .
F5 C13 C12 118.41(18) . .
C14 C13 C12 123.54(18) . .
C13 C14 C15 116.98(18) . .
C13 C14 H14 121.5 . .
C15 C14 H14 121.5 . .
F6 C15 C14 117.20(17) . .
F6 C15 C10 118.70(17) . .
C14 C15 C10 124.08(18) . .
F7 C16 C17 117.81(17) . .
F7 C16 C21 118.04(16) . .
C17 C16 C21 124.14(18) . .
C18 C17 C16 116.28(18) . .
C18 C17 H17 121.9 . .
C16 C17 H17 121.9 . .
F8 C18 C19 117.60(18) . .
F8 C18 C17 118.72(17) . .
C19 C18 C17 123.68(17) . .
C18 C19 C20 116.57(18) . .
C18 C19 H19 121.7 . .
C20 C19 H19 121.7 . .
F9 C20 C19 117.05(17) . .
F9 C20 C21 118.34(16) . .
C19 C20 C21 124.55(17) . .
C20 C21 C16 114.77(16) . .
C20 C21 C22 122.08(16) . .
C16 C21 C22 123.11(16) . .
O3 C22 C23 126.09(16) . .
O3 C22 C21 115.99(15) . .
C23 C22 C21 117.91(16) . .
C22 C23 C24 123.57(17) . .
C22 C23 H23 118.2 . .
C24 C23 H23 118.2 . .
O4 C24 C23 125.86(16) . .
O4 C24 C25 116.30(15) . .
C23 C24 C25 117.78(15) . .
C30 C25 C26 114.52(16) . .
C30 C25 C24 123.12(16) . .
C26 C25 C24 122.30(16) . .
F10 C26 C27 117.56(16) . .
F10 C26 C25 118.90(16) . .
C27 C26 C25 123.51(17) . .
C28 C27 C26 117.31(17) . .
C28 C27 H27 121.3 . .
C26 C27 H27 121.3 . .
F11 C28 C27 118.11(17) . .
F11 C28 C29 118.15(16) . .
C27 C28 C29 123.73(17) . .
C28 C29 C30 115.95(17) . .
C28 C29 H29 122.0 . .
C30 C29 H29 122.0 . .
F12 C30 C29 116.67(15) . .
F12 C30 C25 118.44(15) . .
C29 C30 C25 124.88(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1 1.9093(13) 2_665
Cu1 O1 1.9093(13) .
Cu1 O2 1.9099(13) 2_665
Cu1 O2 1.9100(13) .
Cu2 O3 1.9156(13) .
Cu2 O3 1.9156(13) 2_756
Cu2 O4 1.9223(13) .
Cu2 O4 1.9223(13) 2_756
O1 C7 1.275(2) .
O2 C9 1.270(2) .
O3 C22 1.273(2) .
O4 C24 1.276(2) .
C1 F1 1.349(2) .
C1 C2 1.376(3) .
C1 C6 1.394(3) .
C2 C3 1.375(3) .
C2 H2 0.9500 .
C3 F2 1.348(2) .
C3 C4 1.368(3) .
C4 C5 1.376(3) .
C4 H4 0.9500 .
C5 F3 1.353(2) .
C5 C6 1.394(3) .
C6 C7 1.498(2) .
C7 C8 1.398(3) .
C8 C9 1.399(2) .
C8 H8 0.9500 .
C9 C10 1.503(2) .
C10 C15 1.390(3) .
C10 C11 1.392(3) .
C11 F4 1.343(2) .
C11 C12 1.382(3) .
C12 C13 1.371(3) .
C12 H12 0.9500 .
C13 F5 1.353(2) .
C13 C14 1.370(3) .
C14 C15 1.380(3) .
C14 H14 0.9500 .
C15 F6 1.347(2) .
C16 F7 1.343(2) .
C16 C17 1.383(3) .
C16 C21 1.394(3) .
C17 C18 1.376(3) .
C17 H17 0.9500 .
C18 F8 1.347(2) .
C18 C19 1.374(3) .
C19 C20 1.375(3) .
C19 H19 0.9500 .
C20 F9 1.352(2) .
C20 C21 1.386(3) .
C21 C22 1.497(2) .
C22 C23 1.395(2) .
C23 C24 1.396(3) .
C23 H23 0.9500 .
C24 C25 1.497(2) .
C25 C30 1.397(2) .
C25 C26 1.399(2) .
C26 F10 1.343(2) .
C26 C27 1.377(3) .
C27 C28 1.373(3) .
C27 H27 0.9500 .
C28 F11 1.351(2) .
C28 C29 1.375(3) .
C29 C30 1.378(2) .
C29 H29 0.9500 .
C30 F12 1.350(2) .
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
O1 Cu1 O1 C7 92(5) 2_665
O2 Cu1 O1 C7 176.36(15) 2_665
O2 Cu1 O1 C7 -3.64(15) .
O1 Cu1 O2 C9 177.64(15) 2_665
O1 Cu1 O2 C9 -2.36(15) .
O2 Cu1 O2 C9 -157(20) 2_665
O3 Cu2 O3 C22 3(29) 2_756
O4 Cu2 O3 C22 -0.87(14) .
O4 Cu2 O3 C22 179.13(14) 2_756
O3 Cu2 O4 C24 6.02(14) .
O3 Cu2 O4 C24 -173.98(14) 2_756
O4 Cu2 O4 C24 -31(6) 2_756
F1 C1 C2 C3 -176.77(18) .
C6 C1 C2 C3 0.2(3) .
C1 C2 C3 F2 178.69(18) .
C1 C2 C3 C4 -1.7(3) .
F2 C3 C4 C5 -178.65(17) .
C2 C3 C4 C5 1.7(3) .
C3 C4 C5 F3 -178.75(17) .
C3 C4 C5 C6 -0.3(3) .
F3 C5 C6 C1 177.37(16) .
C4 C5 C6 C1 -1.1(3) .
F3 C5 C6 C7 -2.2(3) .
C4 C5 C6 C7 179.30(18) .
F1 C1 C6 C5 178.00(16) .
C2 C1 C6 C5 1.1(3) .
F1 C1 C6 C7 -2.4(3) .
C2 C1 C6 C7 -179.25(18) .
Cu1 O1 C7 C8 5.7(3) .
Cu1 O1 C7 C6 -175.96(11) .
C5 C6 C7 O1 143.43(18) .
C1 C6 C7 O1 -36.1(2) .
C5 C6 C7 C8 -38.1(3) .
C1 C6 C7 C8 142.29(19) .
O1 C7 C8 C9 -1.4(3) .
C6 C7 C8 C9 -179.66(17) .
Cu1 O2 C9 C8 6.8(3) .
Cu1 O2 C9 C10 -173.78(12) .
C7 C8 C9 O2 -5.4(3) .
C7 C8 C9 C10 175.17(18) .
O2 C9 C10 C15 133.54(19) .
C8 C9 C10 C15 -47.0(3) .
O2 C9 C10 C11 -43.1(3) .
C8 C9 C10 C11 136.42(19) .
C15 C10 C11 F4 179.08(17) .
C9 C10 C11 F4 -4.1(3) .
C15 C10 C11 C12 1.3(3) .
C9 C10 C11 C12 178.14(18) .
F4 C11 C12 C13 -178.99(17) .
C10 C11 C12 C13 -1.2(3) .
C11 C12 C13 F5 179.52(17) .
C11 C12 C13 C14 0.5(3) .
F5 C13 C14 C15 -179.03(17) .
C12 C13 C14 C15 0.0(3) .
C13 C14 C15 F6 -178.22(17) .
C13 C14 C15 C10 0.1(3) .
C11 C10 C15 F6 177.58(17) .
C9 C10 C15 F6 0.7(3) .
C11 C10 C15 C14 -0.7(3) .
C9 C10 C15 C14 -177.59(18) .
F7 C16 C17 C18 179.24(17) .
C21 C16 C17 C18 0.8(3) .
C16 C17 C18 F8 179.02(16) .
C16 C17 C18 C19 -1.1(3) .
F8 C18 C19 C20 -179.55(16) .
C17 C18 C19 C20 0.6(3) .
C18 C19 C20 F9 177.51(16) .
C18 C19 C20 C21 0.3(3) .
F9 C20 C21 C16 -177.69(16) .
C19 C20 C21 C16 -0.5(3) .
F9 C20 C21 C22 0.2(3) .
C19 C20 C21 C22 177.35(17) .
F7 C16 C21 C20 -178.49(16) .
C17 C16 C21 C20 -0.1(3) .
F7 C16 C21 C22 3.7(3) .
C17 C16 C21 C22 -177.92(18) .
Cu2 O3 C22 C23 -4.7(3) .
Cu2 O3 C22 C21 174.29(11) .
C20 C21 C22 O3 -130.14(18) .
C16 C21 C22 O3 47.5(2) .
C20 C21 C22 C23 48.9(2) .
C16 C21 C22 C23 -133.44(19) .
O3 C22 C23 C24 6.4(3) .
C21 C22 C23 C24 -172.54(17) .
Cu2 O4 C24 C23 -6.1(3) .
Cu2 O4 C24 C25 176.70(11) .
C22 C23 C24 O4 -0.4(3) .
C22 C23 C24 C25 176.70(17) .
O4 C24 C25 C30 -141.78(18) .
C23 C24 C25 C30 40.8(3) .
O4 C24 C25 C26 41.1(2) .
C23 C24 C25 C26 -136.28(19) .
C30 C25 C26 F10 179.00(16) .
C24 C25 C26 F10 -3.7(3) .
C30 C25 C26 C27 -3.3(3) .
C24 C25 C26 C27 174.05(17) .
F10 C26 C27 C28 -179.73(16) .
C25 C26 C27 C28 2.5(3) .
C26 C27 C28 F11 -179.72(16) .
C26 C27 C28 C29 0.3(3) .
F11 C28 C29 C30 178.06(15) .
C27 C28 C29 C30 -1.9(3) .
C28 C29 C30 F12 -179.48(15) .
C28 C29 C30 C25 1.0(3) .
C26 C25 C30 F12 -178.05(15) .
C24 C25 C30 F12 4.6(3) .
C26 C25 C30 C29 1.4(3) .
C24 C25 C30 C29 -175.86(17) .
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1 PubChem 139199039
