#------------------------------------------------------------------------------
#$Date: 2016-03-22 05:36:24 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178854 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/29/1542912.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_1542912
loop_
_publ_author_name
'Bilbeisi, Rana A.'
'Prakasam, Thirumurugan'
'Lusi, Matteo'
'El Khoury, Roberto'
'Platas-Iglesias, Carlos'
'Charbonnière, Loïc J.'
'Olsen, John-Carl'
'Elhabiri, Mourad'
'Trabolsi, Ali'
_publ_section_title
;
 [C--H⋯anion] interactions mediate the templation and anion binding
 properties of topologically non-trivial metal--organic structures in
 aqueous solutions
;
_journal_issue                   4
_journal_name_full               'Chem. Sci.'
_journal_page_first              2524
_journal_paper_doi               10.1039/C5SC04246A
_journal_volume                  7
_journal_year                    2016
_chemical_formula_sum            'C111 H81 Br2 F18 N15 O22 Zn5'
_chemical_formula_weight         2805.57
_chemical_name_systematic
;
 ?
;
_chemical_properties_physical    'Air-sensitive, Heat-sensitive'
_space_group_crystal_system      trigonal
_space_group_IT_number           147
_space_group_name_Hall           '-P 3'
_space_group_name_H-M_alt        'P -3'
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2015-06-30 deposited with the CCDC.
2016-02-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   23.023(4)
_cell_length_b                   23.023(4)
_cell_length_c                   16.459(3)
_cell_measurement_temperature    100(2)
_cell_volume                     7555(2)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.767
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker Apex2 duo'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0935
_diffrn_reflns_av_unetI/netI     0.0658
_diffrn_reflns_laue_measured_fraction_full 0.767
_diffrn_reflns_laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            36252
_diffrn_reflns_point_group_measured_fraction_full 0.767
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         58.297
_diffrn_reflns_theta_min         2.685
_exptl_absorpt_coefficient_mu    2.206
_exptl_absorpt_correction_T_max  0.7526
_exptl_absorpt_correction_T_min  0.6491
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_description       plates
_exptl_crystal_F_000             2820
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.450
_refine_diff_density_min         -0.654
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     520
_refine_ls_number_reflns         6994
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.1205
_refine_ls_R_factor_gt           0.0933
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1950P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2711
_refine_ls_wR_factor_ref         0.2957
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4289
_reflns_number_total             6994
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5sc04246a1.cif
_cod_data_source_block           C:\sadsq_sq_d
_cod_original_cell_volume        7555(3)
_cod_database_code               1542912
_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.
;
_shelx_estimated_absorpt_t_min   0.810
_shelx_estimated_absorpt_t_max   0.978
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Zn1 Zn 0.68094(6) 0.00717(5) 0.25673(6) 0.0850(4) Uani 1 1 d . . .
O1 O 0.4602(4) 0.1192(4) 0.1582(6) 0.139(3) Uani 1 1 d . . .
Zn2 Zn 0.6667 0.3333 0.50235(9) 0.0811(6) Uani 1 3 d S T P
O7 O 0.7387(4) -0.0260(4) 0.3170(5) 0.133(2) Uani 1 1 d . . .
C2 C 0.5273(5) 0.1623(4) 0.1457(7) 0.100(3) Uani 1 1 d . . .
H2A H 0.5435 0.2020 0.1815 0.120 Uiso 1 1 calc R U .
H2B H 0.5355 0.1778 0.0886 0.120 Uiso 1 1 calc R U .
C3 C 0.5635(4) 0.1252(4) 0.1646(5) 0.083(2) Uani 1 1 d . . .
C4 C 0.6135(5) 0.1508(4) 0.2200(5) 0.084(2) Uani 1 1 d . . .
H4 H 0.6258 0.1923 0.2458 0.101 Uiso 1 1 calc R U .
Zn5 Zn 0.6667 0.3333 -0.00540(9) 0.0684(5) Uani 1 3 d S T P
C5 C 0.6475(4) 0.1156(4) 0.2395(4) 0.0724(19) Uani 1 1 d . . .
O6 O 0.6667 0.3333 -0.2506(2) 0.0270(11) Uani 1 3 d S T P
N6 N 0.6303(3) 0.0565(3) 0.2064(3) 0.0708(15) Uani 1 1 d . . .
C7 C 0.5798(4) 0.0313(4) 0.1521(4) 0.078(2) Uani 1 1 d . . .
H7 H 0.5668 -0.0108 0.1277 0.093 Uiso 1 1 calc R U .
C8 C 0.5463(4) 0.0646(4) 0.1307(5) 0.085(2) Uani 1 1 d . . .
H8 H 0.5109 0.0452 0.0920 0.102 Uiso 1 1 calc R U .
C9 C 0.7027(4) 0.1409(4) 0.2989(4) 0.078(2) Uani 1 1 d . . .
N10 N 0.7270(4) 0.1008(3) 0.3177(4) 0.0863(18) Uani 1 1 d . . .
C11 C 0.7765(6) 0.1200(6) 0.3702(6) 0.116(3) Uani 1 1 d . . .
H11 H 0.7921 0.0901 0.3846 0.139 Uiso 1 1 calc R U .
C12 C 0.8068(6) 0.1850(6) 0.4053(7) 0.121(4) Uani 1 1 d . . .
H12 H 0.8432 0.1991 0.4421 0.146 Uiso 1 1 calc R U .
C13 C 0.7834(5) 0.2261(5) 0.3860(6) 0.105(3) Uani 1 1 d . . .
C14 C 0.7311(5) 0.2061(4) 0.3320(4) 0.087(2) Uani 1 1 d . . .
H14 H 0.7147 0.2352 0.3174 0.105 Uiso 1 1 calc R U .
C15 C 0.8161(5) 0.2987(5) 0.4185(6) 0.110(3) Uani 1 1 d . . .
H15A H 0.7843 0.3158 0.4148 0.132 Uiso 1 1 calc R U .
H15B H 0.8296 0.3006 0.4760 0.132 Uiso 1 1 calc R U .
O16 O 0.8695(4) 0.3350(3) 0.3722(4) 0.111(2) Uani 1 1 d . . .
C17 C 0.4946(5) 0.0915(5) 0.3831(5) 0.088(2) Uani 1 1 d . . .
C18 C 0.4672(5) 0.0328(5) 0.3423(5) 0.096(3) Uani 1 1 d . . .
H18 H 0.4300 0.0210 0.3074 0.115 Uiso 1 1 calc R U .
C19 C 0.4923(5) -0.0106(5) 0.3502(6) 0.103(3) Uani 1 1 d . . .
H19 H 0.4719 -0.0521 0.3218 0.123 Uiso 1 1 calc R U .
C20 C 0.5467(5) 0.0068(5) 0.3994(5) 0.086(2) Uani 1 1 d . . .
C21 C 0.5738(5) 0.0652(5) 0.4370(4) 0.085(2) Uani 1 1 d . . .
H21 H 0.6120 0.0774 0.4702 0.102 Uiso 1 1 calc R U .
C22 C 0.5505(5) 0.1088(5) 0.4311(4) 0.086(2) Uani 1 1 d . . .
H22 H 0.5720 0.1503 0.4594 0.103 Uiso 1 1 calc R U .
C23 C 0.5703(7) -0.0441(6) 0.4108(5) 0.118(4) Uani 1 1 d . . .
H23A H 0.6088 -0.0258 0.4488 0.141 Uiso 1 1 calc R U .
H23B H 0.5336 -0.0859 0.4345 0.141 Uiso 1 1 calc R U .
N24 N 0.5905(4) -0.0588(4) 0.3310(4) 0.0862(19) Uani 1 1 d . . .
C25 C 0.5513(5) -0.1148(5) 0.2965(5) 0.091(2) Uani 1 1 d . . .
H25 H 0.5114 -0.1471 0.3229 0.109 Uiso 1 1 calc R U .
C26 C 0.5681(5) -0.1287(4) 0.2170(5) 0.084(2) Uani 1 1 d . . .
N27 N 0.6258(3) -0.0805(3) 0.1881(3) 0.0770(16) Uani 1 1 d . . .
C28 C 0.6475(5) -0.0861(4) 0.1140(5) 0.092(3) Uani 1 1 d . . .
C29 C 0.6119(7) -0.1413(5) 0.0660(6) 0.113(3) Uani 1 1 d . . .
H29 H 0.6284 -0.1440 0.0141 0.135 Uiso 1 1 calc R U .
C30 C 0.5509(7) -0.1937(6) 0.0945(7) 0.120(4) Uani 1 1 d . . .
H30 H 0.5250 -0.2326 0.0623 0.144 Uiso 1 1 calc R U .
C31 C 0.5288(5) -0.1873(4) 0.1722(7) 0.103(3) Uani 1 1 d . . .
H31 H 0.4879 -0.2223 0.1938 0.124 Uiso 1 1 calc R U .
C32 C 0.7131(6) -0.0294(5) 0.0925(6) 0.115(3) Uani 1 1 d . . .
H32 H 0.7335 -0.0295 0.0424 0.138 Uiso 1 1 calc R U .
N33 N 0.7423(4) 0.0195(4) 0.1406(6) 0.114(3) Uani 1 1 d . . .
C34 C 0.8135(6) 0.0719(5) 0.1248(10) 0.150(5) Uani 1 1 d . . .
H34A H 0.8260 0.0661 0.0690 0.180 Uiso 1 1 calc R U .
H34B H 0.8431 0.0657 0.1632 0.180 Uiso 1 1 calc R U .
C35 C 0.8249(7) 0.1422(5) 0.1339(8) 0.118(4) Uani 1 1 d . . .
C36 C 0.8828(10) 0.1864(8) 0.1629(12) 0.182(7) Uani 1 1 d . . .
H36 H 0.9120 0.1715 0.1826 0.218 Uiso 1 1 calc R U .
C37 C 0.9042(9) 0.2549(7) 0.1665(12) 0.188(8) Uani 1 1 d . . .
H37 H 0.9495 0.2869 0.1788 0.225 Uiso 1 1 calc R U .
C38 C 0.8569(6) 0.2745(5) 0.1513(7) 0.118(3) Uani 1 1 d . . .
C39 C 0.7945(5) 0.2273(5) 0.1246(5) 0.103(3) Uani 1 1 d . . .
H39 H 0.7616 0.2393 0.1120 0.124 Uiso 1 1 calc R U .
C40 C 0.7804(6) 0.1611(5) 0.1162(7) 0.118(4) Uani 1 1 d . . .
H40 H 0.7374 0.1283 0.0970 0.141 Uiso 1 1 calc R U .
O1A O 0.6783(3) 0.2582(3) 0.5379(3) 0.0863(15) Uani 1 1 d . . .
C2A C 0.7034(4) 0.2586(4) 0.6063(5) 0.082(2) Uani 1 1 d . . .
O3A O 0.7278(3) 0.3026(3) 0.6586(3) 0.0798(14) Uani 1 1 d . . .
C4A C 0.7055(6) 0.1948(5) 0.6245(5) 0.098(3) Uani 1 1 d . . .
F5A F 0.7205(6) 0.1875(4) 0.6936(4) 0.198(4) Uani 1 1 d . . .
F6A F 0.7399(9) 0.1847(7) 0.5783(8) 0.302(9) Uani 1 1 d . . .
F7A F 0.6490(7) 0.1436(4) 0.6133(9) 0.303(10) Uani 1 1 d . . .
O1B O 0.6315(3) 0.2388(3) -0.0367(3) 0.0967(17) Uani 1 1 d . . .
C2B C 0.6261(4) 0.2149(4) -0.1042(5) 0.079(2) Uani 1 1 d . . .
O3B O 0.6407(3) 0.2399(3) -0.1706(3) 0.0940(16) Uani 1 1 d . . .
C4B C 0.5970(5) 0.1381(5) -0.1031(5) 0.094(3) Uani 1 1 d . . .
F5B F 0.5795(4) 0.1098(3) -0.1763(3) 0.142(2) Uani 1 1 d . . .
F6B F 0.5395(3) 0.1075(2) -0.0596(3) 0.1124(17) Uani 1 1 d . . .
F7B F 0.6379(4) 0.1220(3) -0.0641(5) 0.142(2) Uani 1 1 d . . .
Br3 Br 0.6667 0.3333 0.35848(8) 0.0914(5) Uani 1 3 d S T P
Br4 Br 0.6667 0.3333 0.13634(8) 0.0941(5) Uani 1 3 d S T P
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'
N N 0.0311 0.0180 '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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.6763 1.2805 '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
O7 Zn1 N27 95.4(3) . .
O7 Zn1 N10 93.5(3) . .
N27 Zn1 N10 171.1(3) . .
O7 Zn1 N6 170.4(3) . .
N27 Zn1 N6 94.2(2) . .
N10 Zn1 N6 76.9(3) . .
O7 Zn1 N24 92.2(3) . .
N27 Zn1 N24 74.3(3) . .
N10 Zn1 N24 104.8(3) . .
N6 Zn1 N24 90.2(2) . .
O7 Zn1 N33 88.6(3) . .
N27 Zn1 N33 73.2(3) . .
N10 Zn1 N33 107.7(3) . .
N6 Zn1 N33 94.4(3) . .
N24 Zn1 N33 147.5(3) . .
C38 O1 C2 118.6(9) 3_665 .
O1A Zn2 O1A 111.56(14) . 2_655
O1A Zn2 O1A 111.56(14) . 3_665
O1A Zn2 O1A 111.56(14) 2_655 3_665
O1A Zn2 Br3 107.29(15) . .
O1A Zn2 Br3 107.29(15) 2_655 .
O1A Zn2 Br3 107.29(15) 3_665 .
O1 C2 C3 107.7(7) . .
C4 C3 C8 118.1(8) . .
C4 C3 C2 119.2(8) . .
C8 C3 C2 122.6(8) . .
C3 C4 C5 119.9(8) . .
O1B Zn5 O1B 113.45(14) . 2_655
O1B Zn5 O1B 113.45(14) . 3_665
O1B Zn5 O1B 113.45(14) 2_655 3_665
O1B Zn5 Br4 105.12(17) . .
O1B Zn5 Br4 105.12(17) 2_655 .
O1B Zn5 Br4 105.12(17) 3_665 .
N6 C5 C4 121.8(7) . .
N6 C5 C9 115.6(7) . .
C4 C5 C9 122.6(7) . .
C5 N6 C7 117.6(7) . .
C5 N6 Zn1 114.8(5) . .
C7 N6 Zn1 127.3(5) . .
N6 C7 C8 122.3(7) . .
C7 C8 C3 120.4(8) . .
N10 C9 C14 121.0(8) . .
N10 C9 C5 117.2(7) . .
C14 C9 C5 121.7(8) . .
C11 N10 C9 120.8(8) . .
C11 N10 Zn1 124.0(7) . .
C9 N10 Zn1 115.2(5) . .
N10 C11 C12 120.4(10) . .
C13 C12 C11 119.3(10) . .
C12 C13 C14 120.6(9) . .
C12 C13 C15 122.1(10) . .
C14 C13 C15 117.2(10) . .
C13 C14 C9 117.8(9) . .
O16 C15 C13 106.2(8) . .
C15 O16 C17 120.9(7) . 2_655
C18 C17 O16 116.8(8) . 3_665
C18 C17 C22 118.3(8) . .
O16 C17 C22 124.8(9) 3_665 .
C17 C18 C19 121.2(9) . .
C20 C19 C18 119.6(9) . .
C21 C20 C19 118.2(8) . .
C21 C20 C23 123.6(10) . .
C19 C20 C23 118.1(10) . .
C20 C21 C22 123.9(9) . .
C21 C22 C17 118.7(9) . .
N24 C23 C20 109.7(7) . .
C25 N24 C23 118.5(8) . .
C25 N24 Zn1 113.0(5) . .
C23 N24 Zn1 128.4(7) . .
N24 C25 C26 119.5(8) . .
N27 C26 C31 120.9(8) . .
N27 C26 C25 114.1(8) . .
C31 C26 C25 125.0(9) . .
C26 N27 C28 120.7(7) . .
C26 N27 Zn1 119.0(5) . .
C28 N27 Zn1 120.3(6) . .
N27 C28 C29 122.2(9) . .
N27 C28 C32 113.6(8) . .
C29 C28 C32 124.1(9) . .
C28 C29 C30 119.0(9) . .
C31 C30 C29 118.2(9) . .
C30 C31 C26 118.9(9) . .
N33 C32 C28 119.8(8) . .
C32 N33 C34 119.5(9) . .
C32 N33 Zn1 112.9(6) . .
C34 N33 Zn1 126.9(8) . .
N33 C34 C35 112.3(10) . .
C40 C35 C36 118.8(12) . .
C40 C35 C34 125.4(13) . .
C36 C35 C34 115.7(14) . .
C35 C36 C37 122.9(16) . .
C36 C37 C38 117.8(14) . .
O1 C38 C39 126.8(11) 2_655 .
O1 C38 C37 114.3(11) 2_655 .
C39 C38 C37 118.6(11) . .
C38 C39 C40 118.5(12) . .
C35 C40 C39 122.5(12) . .
C2A O1A Zn2 121.4(5) . .
O3A C2A O1A 130.5(8) . .
O3A C2A C4A 115.8(7) . .
O1A C2A C4A 113.7(7) . .
F6A C4A F5A 107.6(13) . .
F6A C4A F7A 101.4(13) . .
F5A C4A F7A 103.8(10) . .
F6A C4A C2A 113.8(8) . .
F5A C4A C2A 117.5(7) . .
F7A C4A C2A 111.1(10) . .
C2B O1B Zn5 129.0(5) . .
O3B C2B O1B 132.2(8) . .
O3B C2B C4B 114.7(7) . .
O1B C2B C4B 113.1(7) . .
F6B C4B F5B 104.3(8) . .
F6B C4B F7B 104.1(7) . .
F5B C4B F7B 112.4(8) . .
F6B C4B C2B 110.8(7) . .
F5B C4B C2B 113.6(7) . .
F7B C4B C2B 111.1(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O7 2.085(7) .
Zn1 N27 2.098(6) .
Zn1 N10 2.120(7) .
Zn1 N6 2.158(6) .
Zn1 N24 2.229(7) .
Zn1 N33 2.309(8) .
O1 C38 1.347(12) 3_665
O1 C2 1.373(11) .
Zn2 O1A 1.967(6) .
Zn2 O1A 1.967(6) 2_655
Zn2 O1A 1.967(6) 3_665
Zn2 Br3 2.368(2) .
C2 C3 1.494(12) .
C3 C4 1.351(12) .
C3 C8 1.365(12) .
C4 C5 1.414(11) .
Zn5 O1B 1.973(5) .
Zn5 O1B 1.973(5) 2_655
Zn5 O1B 1.973(5) 3_665
Zn5 Br4 2.333(2) .
C5 N6 1.331(9) .
C5 C9 1.473(11) .
N6 C7 1.346(10) .
C7 C8 1.378(11) .
C9 N10 1.334(10) .
C9 C14 1.413(11) .
N10 C11 1.319(12) .
C11 C12 1.420(15) .
C12 C13 1.342(15) .
C13 C14 1.379(13) .
C13 C15 1.545(13) .
C15 O16 1.328(11) .
O16 C17 1.375(10) 2_655
C17 C18 1.350(12) .
C17 O16 1.375(10) 3_665
C17 C22 1.388(12) .
C18 C19 1.388(14) .
C19 C20 1.372(13) .
C20 C21 1.319(12) .
C20 C23 1.529(12) .
C21 C22 1.358(12) .
C23 N24 1.489(10) .
N24 C25 1.280(11) .
C25 C26 1.444(12) .
C26 N27 1.322(10) .
C26 C31 1.402(12) .
N27 C28 1.347(10) .
C28 C29 1.367(13) .
C28 C32 1.462(14) .
C29 C30 1.397(16) .
C30 C31 1.411(15) .
C32 N33 1.261(13) .
N33 C34 1.494(14) .
C34 C35 1.513(16) .
C35 C40 1.329(17) .
C35 C36 1.299(19) .
C36 C37 1.399(18) .
C37 C38 1.396(17) .
C38 O1 1.347(12) 2_655
C38 C39 1.370(14) .
C39 C40 1.396(14) .
O1A C2A 1.265(9) .
C2A O3A 1.230(9) .
C2A C4A 1.523(13) .
C4A F6A 1.201(12) .
C4A F5A 1.224(10) .
C4A F7A 1.258(13) .
O1B C2B 1.219(9) .
C2B O3B 1.202(9) .
C2B C4B 1.546(12) .
C4B F6B 1.351(11) .
C4B F5B 1.334(10) .
C4B F7B 1.337(11) .
