#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:40:04 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179418 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/15/4331554.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4331554
loop_
_publ_author_name
'Childress, Montana V.'
'Millar, David'
'Alam, Todd M.'
'Kreisel, Kevin A.'
'Yap, Glenn P. A.'
'Zakharov, Lev N.'
'Golen, James A.'
'Rheingold, Arnold L.'
'Doerrer, Linda H.'
_publ_section_title
;
 Thallophilic Interactions in Aryloxide Compounds:  the
 {Tl2(μ2-OAr)4} Structural Motif in (TlOAr)4and Tl2Cu(OAr)4Compounds
;
_journal_issue                   10
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3864
_journal_page_last               3877
_journal_paper_doi               10.1021/ic050955o
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C152 H40 Cu5 F100 O22 Tl10'
_chemical_formula_weight         6479.24
_chemical_name_systematic
; 
 ? 
;
_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                96.7340(10)
_cell_angle_beta                 94.6110(10)
_cell_angle_gamma                93.6480(10)
_cell_formula_units_Z            2
_cell_length_a                   14.8580(8)
_cell_length_b                   20.1452(11)
_cell_length_c                   28.5113(16)
_cell_measurement_temperature    218(2)
_cell_volume                     8424.6(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      218(2)
_diffrn_measured_fraction_theta_full 0.925
_diffrn_measured_fraction_theta_max 0.925
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0445
_diffrn_reflns_av_sigmaI/netI    0.0988
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            63161
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.18
_exptl_absorpt_coefficient_mu    10.316
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.491
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    2.554
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             5966
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.03
_refine_diff_density_max         3.159
_refine_diff_density_min         -2.120
_refine_diff_density_rms         0.214
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2520
_refine_ls_number_reflns         38893
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.1152
_refine_ls_R_factor_gt           0.0658
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0727P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1485
_refine_ls_wR_factor_ref         0.1694
_reflns_number_gt                23968
_reflns_number_total             38893
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic050955osup1.cif
_cod_data_source_block           Compound4-doe25-Tl2CuOArF4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4331554
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
Tl1 Tl -0.30077(3) 0.26370(3) 0.108076(17) 0.05006(13) Uani 1 1 d .
Tl2 Tl -0.07074(3) 0.29736(2) 0.052416(17) 0.04638(12) Uani 1 1 d .
Tl3 Tl 0.11023(3) 0.35178(3) 0.266746(17) 0.05252(14) Uani 1 1 d .
Tl4 Tl -0.05493(3) 0.20329(3) 0.284280(17) 0.05366(14) Uani 1 1 d .
Tl5 Tl 0.22417(3) 0.36395(3) 0.482810(17) 0.05289(13) Uani 1 1 d .
Tl6 Tl 0.19444(3) 0.16803(3) 0.469364(17) 0.05168(13) Uani 1 1 d .
Tl7 Tl 0.35748(3) 0.36051(3) 0.697710(17) 0.05499(14) Uani 1 1 d .
Tl8 Tl 0.47457(3) 0.20460(3) 0.658426(18) 0.05484(13) Uani 1 1 d .
Tl9 Tl 0.52427(3) 0.33055(3) 0.907151(17) 0.04797(12) Uani 1 1 d .
Tl10 Tl 0.72472(3) 0.25321(3) 0.850386(17) 0.04973(13) Uani 1 1 d .
Cu1 Cu -0.07689(8) 0.28752(7) 0.17896(4) 0.0367(3) Uani 1 1 d .
Cu2 Cu 0.11952(8) 0.26858(7) 0.37587(4) 0.0400(3) Uani 1 1 d .
Cu3 Cu 0.30579(8) 0.27275(7) 0.57800(4) 0.0396(3) Uani 1 1 d .
Cu4 Cu 0.51645(8) 0.29227(7) 0.77944(4) 0.0376(3) Uani 1 1 d .
Cu5 Cu 0.71136(8) 0.28143(7) 0.97974(5) 0.0384(3) Uani 1 1 d .
O1 O -0.1520(5) 0.3456(4) 0.1481(3) 0.0404(18) Uani 1 1 d .
O2 O -0.1110(5) 0.2243(3) 0.1229(3) 0.0423(19) Uani 1 1 d .
O3 O -0.0674(5) 0.3341(4) 0.2434(3) 0.0453(19) Uani 1 1 d .
O4 O 0.0252(5) 0.2435(4) 0.2034(3) 0.050(2) Uani 1 1 d .
O5 O 0.0166(5) 0.3084(4) 0.3482(2) 0.0456(19) Uani 1 1 d .
O6 O 0.1405(5) 0.2422(4) 0.3104(3) 0.048(2) Uani 1 1 d .
O7 O 0.0880(5) 0.2750(4) 0.4410(3) 0.0447(19) Uani 1 1 d .
O8 O 0.2377(5) 0.2543(4) 0.4047(3) 0.0450(19) Uani 1 1 d .
O9 O 0.1851(5) 0.2580(5) 0.5482(2) 0.050(2) Uani 1 1 d .
O10 O 0.3365(5) 0.2777(4) 0.5141(2) 0.050(2) Uani 1 1 d .
O11 O 0.2845(5) 0.2506(5) 0.6400(3) 0.058(3) Uani 1 1 d .
O12 O 0.4222(5) 0.3058(4) 0.6098(3) 0.050(2) Uani 1 1 d .
O13 O 0.4097(5) 0.2497(4) 0.7431(2) 0.0416(18) Uani 1 1 d .
O14 O 0.5323(5) 0.3294(4) 0.7204(3) 0.054(2) Uani 1 1 d .
O15 O 0.5172(5) 0.2404(4) 0.8321(3) 0.0424(19) Uani 1 1 d .
O16 O 0.6045(5) 0.3492(4) 0.8214(2) 0.0383(17) Uani 1 1 d .
O17 O 0.6425(5) 0.2243(4) 0.9292(3) 0.047(2) Uani 1 1 d .
O18 O 0.6998(5) 0.3464(4) 0.9351(3) 0.049(2) Uani 1 1 d .
O19 O 0.7487(6) 0.2160(4) 1.0195(3) 0.055(2) Uani 1 1 d .
O20 O 0.7544(5) 0.3432(4) 1.0344(3) 0.0420(18) Uani 1 1 d .
C1 C -0.1463(7) 0.4105(6) 0.1612(4) 0.039(3) Uani 1 1 d .
C2 C -0.2230(8) 0.4448(6) 0.1708(4) 0.049(3) Uani 1 1 d .
C3 C -0.2204(9) 0.5120(7) 0.1853(5) 0.060(4) Uani 1 1 d .
C4 C -0.1419(11) 0.5503(6) 0.1919(6) 0.072(5) Uani 1 1 d .
C5 C -0.0640(9) 0.5188(7) 0.1812(5) 0.062(4) Uani 1 1 d .
C6 C -0.0643(7) 0.4495(6) 0.1671(4) 0.044(3) Uani 1 1 d .
C7 C -0.1069(8) 0.1598(6) 0.1239(4) 0.049(3) Uani 1 1 d .
C8 C -0.0665(7) 0.1204(6) 0.0885(4) 0.043(3) Uani 1 1 d .
C9 C -0.0617(8) 0.0518(7) 0.0865(5) 0.059(4) Uani 1 1 d .
C10 C -0.0991(11) 0.0197(7) 0.1211(6) 0.068(4) Uani 1 1 d .
C11 C -0.1402(9) 0.0543(8) 0.1555(6) 0.070(4) Uani 1 1 d .
C12 C -0.1453(8) 0.1241(7) 0.1558(5) 0.055(3) Uani 1 1 d .
C13 C -0.1307(8) 0.3695(6) 0.2606(4) 0.042(3) Uani 1 1 d .
C14 C -0.2207(8) 0.3456(7) 0.2610(5) 0.053(3) Uani 1 1 d .
C15 C -0.2836(9) 0.3835(8) 0.2781(5) 0.062(4) Uani 1 1 d .
C16 C -0.2635(11) 0.4480(8) 0.2968(5) 0.069(4) Uani 1 1 d .
C17 C -0.1751(10) 0.4758(7) 0.2976(4) 0.059(4) Uani 1 1 d .
C18 C -0.1107(9) 0.4357(7) 0.2799(4) 0.055(3) Uani 1 1 d .
C19 C 0.0844(8) 0.2152(8) 0.1743(5) 0.058(4) Uani 1 1 d .
C20 C 0.1304(9) 0.2519(10) 0.1447(5) 0.066(4) Uani 1 1 d .
C21 C 0.1977(11) 0.2224(10) 0.1175(6) 0.078(5) Uani 1 1 d .
C22 C 0.2129(12) 0.1592(12) 0.1217(7) 0.098(7) Uani 1 1 d .
C23 C 0.1691(11) 0.1185(11) 0.1486(6) 0.084(6) Uani 1 1 d .
C24 C 0.1031(11) 0.1489(10) 0.1763(6) 0.076(5) Uani 1 1 d .
C25 C -0.0253(8) 0.3544(6) 0.3725(4) 0.042(3) Uani 1 1 d .
C26 C -0.1208(10) 0.3464(7) 0.3763(4) 0.060(4) Uani 1 1 d .
C27 C -0.1655(11) 0.3949(8) 0.3999(5) 0.065(4) Uani 1 1 d .
C28 C -0.1198(13) 0.4499(10) 0.4214(6) 0.085(5) Uani 1 1 d .
C29 C -0.0259(13) 0.4613(8) 0.4186(6) 0.080(5) Uani 1 1 d .
C30 C 0.0180(10) 0.4129(7) 0.3941(5) 0.064(4) Uani 1 1 d .
C31 C 0.1852(8) 0.1914(8) 0.2958(4) 0.058(4) Uani 1 1 d .
C32 C 0.2518(9) 0.1946(8) 0.2637(5) 0.059(4) Uani 1 1 d .
C33 C 0.2990(11) 0.1453(11) 0.2474(6) 0.082(5) Uani 1 1 d .
C34 C 0.2798(15) 0.0827(13) 0.2621(6) 0.115(9) Uani 1 1 d .
C35 C 0.2132(13) 0.0735(9) 0.2915(7) 0.089(6) Uani 1 1 d .
C36 C 0.1707(11) 0.1280(8) 0.3092(5) 0.068(4) Uani 1 1 d .
C37 C 0.0040(7) 0.2698(6) 0.4540(4) 0.042(3) Uani 1 1 d .
C38 C -0.0527(9) 0.2106(7) 0.4422(5) 0.061(4) Uani 1 1 d .
C39 C -0.1353(9) 0.2028(8) 0.4576(5) 0.061(4) Uani 1 1 d .
C40 C -0.1659(9) 0.2547(10) 0.4869(5) 0.073(5) Uani 1 1 d .
C41 C -0.1097(10) 0.3132(8) 0.5009(5) 0.062(4) Uani 1 1 d .
C42 C -0.0279(8) 0.3170(7) 0.4835(5) 0.052(3) Uani 1 1 d .
C43 C 0.3085(8) 0.2502(7) 0.3808(4) 0.049(3) Uani 1 1 d .
C44 C 0.3421(8) 0.3050(8) 0.3590(4) 0.056(3) Uani 1 1 d .
C45 C 0.4174(10) 0.3022(9) 0.3354(5) 0.074(5) Uani 1 1 d .
C46 C 0.4612(9) 0.2477(10) 0.3325(5) 0.076(5) Uani 1 1 d .
C47 C 0.4349(9) 0.1937(8) 0.3520(5) 0.064(4) Uani 1 1 d .
C48 C 0.3569(8) 0.1958(7) 0.3765(4) 0.052(3) Uani 1 1 d .
C49 C 0.1086(8) 0.2643(8) 0.5686(4) 0.059(4) Uani 1 1 d .
C50 C 0.0398(8) 0.2131(7) 0.5633(4) 0.050(3) Uani 1 1 d .
C51 C -0.0376(8) 0.2201(9) 0.5833(5) 0.064(4) Uani 1 1 d .
C52 C -0.0553(9) 0.2791(11) 0.6080(6) 0.090(6) Uani 1 1 d .
C53 C 0.0097(10) 0.3310(10) 0.6151(5) 0.082(5) Uani 1 1 d .
C54 C 0.0884(8) 0.3239(8) 0.5949(4) 0.059(4) Uani 1 1 d .
C55 C 0.4136(8) 0.2624(7) 0.4969(4) 0.055(3) Uani 1 1 d .
C56 C 0.4597(9) 0.3073(10) 0.4717(5) 0.070(5) Uani 1 1 d .
C57 C 0.5367(11) 0.2895(16) 0.4494(5) 0.124(11) Uani 1 1 d .
C58 C 0.5672(16) 0.2302(17) 0.4506(9) 0.137(13) Uani 1 1 d .
C59 C 0.5209(15) 0.1832(14) 0.4747(7) 0.107(8) Uani 1 1 d .
C60 C 0.4476(11) 0.2019(10) 0.4982(6) 0.078(5) Uani 1 1 d .
C61 C 0.2142(8) 0.2116(9) 0.6483(5) 0.066(4) Uani 1 1 d .
C62 C 0.1979(13) 0.1459(10) 0.6267(7) 0.086(5) Uani 1 1 d .
C63 C 0.1249(17) 0.1080(13) 0.6383(11) 0.140(13) Uani 1 1 d .
C64 C 0.0650(17) 0.1277(16) 0.6652(9) 0.142(15) Uani 1 1 d .
C65 C 0.0787(13) 0.1940(18) 0.6868(7) 0.142(12) Uani 1 1 d .
C66 C 0.1496(10) 0.2359(11) 0.6788(5) 0.079(5) Uani 1 1 d .
C67 C 0.4741(8) 0.3536(7) 0.5931(4) 0.047(3) Uani 1 1 d .
C68 C 0.4411(8) 0.4117(7) 0.5810(5) 0.059(4) Uani 1 1 d .
C69 C 0.4945(11) 0.4619(8) 0.5661(6) 0.077(5) Uani 1 1 d .
C70 C 0.5874(10) 0.4543(9) 0.5640(6) 0.081(5) Uani 1 1 d .
C71 C 0.6191(9) 0.3969(9) 0.5760(5) 0.070(4) Uani 1 1 d .
C72 C 0.5675(9) 0.3439(8) 0.5898(5) 0.060(4) Uani 1 1 d .
C73 C 0.3373(8) 0.2247(7) 0.7626(4) 0.050(3) Uani 1 1 d .
C74 C 0.2994(8) 0.1619(7) 0.7480(5) 0.054(3) Uani 1 1 d .
C75 C 0.2251(9) 0.1339(8) 0.7652(6) 0.066(4) Uani 1 1 d .
C76 C 0.1862(10) 0.1713(10) 0.7987(7) 0.083(6) Uani 1 1 d .
C77 C 0.2204(10) 0.2369(9) 0.8172(5) 0.068(4) Uani 1 1 d .
C78 C 0.2973(9) 0.2617(7) 0.7986(4) 0.056(3) Uani 1 1 d .
C79 C 0.6099(10) 0.3623(7) 0.7124(4) 0.054(4) Uani 1 1 d .
C80 C 0.6083(11) 0.4243(8) 0.6999(5) 0.071(5) Uani 1 1 d .
C81 C 0.6888(15) 0.4609(9) 0.6922(6) 0.084(6) Uani 1 1 d .
C82 C 0.7676(15) 0.4353(12) 0.6979(6) 0.106(8) Uani 1 1 d .
C83 C 0.7725(13) 0.3731(10) 0.7104(6) 0.084(5) Uani 1 1 d .
C84 C 0.6899(11) 0.3360(8) 0.7182(5) 0.067(4) Uani 1 1 d .
C85 C 0.4811(7) 0.1776(6) 0.8281(4) 0.042(3) Uani 1 1 d .
C86 C 0.5070(8) 0.1264(7) 0.7977(5) 0.056(3) Uani 1 1 d .
C87 C 0.4719(9) 0.0617(7) 0.7962(5) 0.062(4) Uani 1 1 d .
C88 C 0.4066(9) 0.0460(7) 0.8251(5) 0.064(4) Uani 1 1 d .
C89 C 0.3782(8) 0.0965(7) 0.8555(5) 0.053(3) Uani 1 1 d .
C90 C 0.4161(8) 0.1587(6) 0.8582(4) 0.046(3) Uani 1 1 d .
C91 C 0.6222(7) 0.4134(6) 0.8159(4) 0.039(3) Uani 1 1 d .
C92 C 0.5540(7) 0.4554(7) 0.8108(5) 0.053(3) Uani 1 1 d .
C93 C 0.5703(10) 0.5197(7) 0.8054(6) 0.073(4) Uani 1 1 d .
C94 C 0.6581(10) 0.5473(7) 0.8059(6) 0.071(4) Uani 1 1 d .
C95 C 0.7271(8) 0.5092(6) 0.8127(4) 0.047(3) Uani 1 1 d .
C96 C 0.7084(7) 0.4410(6) 0.8173(4) 0.040(3) Uani 1 1 d .
C97 C 0.5993(8) 0.1669(6) 0.9355(4) 0.047(3) Uani 1 1 d .
C98 C 0.6155(7) 0.1069(6) 0.9092(4) 0.045(3) Uani 1 1 d .
C99 C 0.5706(9) 0.0460(6) 0.9138(5) 0.060(4) Uani 1 1 d .
C100 C 0.5073(8) 0.0448(7) 0.9446(5) 0.053(3) Uani 1 1 d .
C101 C 0.4863(9) 0.1018(8) 0.9708(5) 0.062(4) Uani 1 1 d .
C102 C 0.5344(9) 0.1627(6) 0.9654(4) 0.048(3) Uani 1 1 d .
C103 C 0.7573(7) 0.4007(6) 0.9378(4) 0.040(3) Uani 1 1 d .
C104 C 0.7268(7) 0.4632(6) 0.9333(4) 0.045(3) Uani 1 1 d .
C105 C 0.7824(8) 0.5186(6) 0.9353(4) 0.048(3) Uani 1 1 d .
C106 C 0.8758(9) 0.5135(7) 0.9410(5) 0.058(4) Uani 1 1 d .
C107 C 0.9080(8) 0.4539(7) 0.9448(5) 0.063(4) Uani 1 1 d .
C108 C 0.8488(8) 0.3991(6) 0.9431(4) 0.046(3) Uani 1 1 d .
C109 C 0.7655(8) 0.1545(7) 1.0056(5) 0.051(3) Uani 1 1 d .
C110 C 0.8153(9) 0.1373(7) 0.9677(6) 0.066(4) Uani 1 1 d .
C111 C 0.8352(10) 0.0760(8) 0.9545(6) 0.069(4) Uani 1 1 d .
C112 C 0.8091(10) 0.0228(7) 0.9763(6) 0.069(5) Uani 1 1 d .
C113 C 0.7565(10) 0.0357(7) 1.0147(6) 0.069(4) Uani 1 1 d .
C114 C 0.7357(9) 0.1007(7) 1.0276(6) 0.061(4) Uani 1 1 d .
C115 C 0.7272(7) 0.4038(6) 1.0427(4) 0.039(3) Uani 1 1 d .
C116 C 0.6381(8) 0.4191(7) 1.0419(5) 0.063(4) Uani 1 1 d .
C117 C 0.6127(9) 0.4845(9) 1.0521(6) 0.080(5) Uani 1 1 d .
C118 C 0.6782(12) 0.5352(8) 1.0636(6) 0.079(5) Uani 1 1 d .
C119 C 0.7663(10) 0.5224(7) 1.0653(5) 0.064(4) Uani 1 1 d .
C120 C 0.7887(8) 0.4598(5) 1.0545(4) 0.040(3) Uani 1 1 d .
F1 F -0.3047(4) 0.4105(4) 0.1650(3) 0.063(2) Uani 1 1 d .
F2 F -0.2940(6) 0.5410(5) 0.1957(4) 0.096(3) Uani 1 1 d .
F3 F -0.1341(7) 0.6144(4) 0.2048(4) 0.101(3) Uani 1 1 d .
F4 F 0.0193(6) 0.5540(4) 0.1860(4) 0.108(4) Uani 1 1 d .
F5 F 0.0093(5) 0.4212(4) 0.1589(3) 0.074(2) Uani 1 1 d .
F6 F -0.0265(5) 0.1536(4) 0.0551(2) 0.0601(19) Uani 1 1 d .
F7 F -0.0242(6) 0.0192(4) 0.0516(3) 0.077(2) Uani 1 1 d .
F8 F -0.0964(7) -0.0452(4) 0.1183(4) 0.096(3) Uani 1 1 d .
F9 F -0.1747(6) 0.0243(5) 0.1894(4) 0.097(3) Uani 1 1 d .
F10 F -0.1855(5) 0.1578(4) 0.1911(3) 0.067(2) Uani 1 1 d .
F11 F -0.2425(5) 0.2827(4) 0.2417(3) 0.068(2) Uani 1 1 d .
F12 F -0.3678(6) 0.3586(5) 0.2772(4) 0.095(3) Uani 1 1 d .
F13 F -0.3252(6) 0.4866(5) 0.3145(3) 0.092(3) Uani 1 1 d .
F14 F -0.1552(6) 0.5396(4) 0.3144(3) 0.088(3) Uani 1 1 d .
F15 F -0.0254(5) 0.4639(4) 0.2813(3) 0.067(2) Uani 1 1 d .
F16 F 0.1126(6) 0.3134(5) 0.1420(3) 0.088(3) Uani 1 1 d .
F17 F 0.2412(7) 0.2596(7) 0.0912(4) 0.128(5) Uani 1 1 d .
F18 F 0.2769(7) 0.1335(7) 0.0962(4) 0.136(5) Uani 1 1 d .
F19 F 0.1878(8) 0.0579(5) 0.1537(5) 0.140(6) Uani 1 1 d .
F20 F 0.0594(6) 0.1126(4) 0.2046(4) 0.089(3) Uani 1 1 d .
F21 F -0.1649(5) 0.2911(4) 0.3566(3) 0.071(2) Uani 1 1 d .
F22 F -0.2541(6) 0.3860(5) 0.4041(4) 0.104(3) Uani 1 1 d .
F23 F -0.1579(9) 0.4999(6) 0.4475(4) 0.132(4) Uani 1 1 d .
F24 F 0.0221(8) 0.5157(5) 0.4400(4) 0.120(4) Uani 1 1 d .
F25 F 0.1087(6) 0.4228(4) 0.3919(3) 0.081(3) Uani 1 1 d .
F26 F 0.2683(5) 0.2558(6) 0.2491(3) 0.088(3) Uani 1 1 d .
F27 F 0.3582(7) 0.1473(7) 0.2170(4) 0.127(5) Uani 1 1 d .
F28 F 0.3195(10) 0.0281(8) 0.2460(4) 0.159(6) Uani 1 1 d .
F29 F 0.1969(10) 0.0136(6) 0.3071(4) 0.136(5) Uani 1 1 d .
F30 F 0.1081(6) 0.1197(4) 0.3403(3) 0.082(3) Uani 1 1 d .
F31 F -0.0220(5) 0.1597(5) 0.4144(3) 0.084(3) Uani 1 1 d .
F32 F -0.1862(6) 0.1466(5) 0.4469(4) 0.106(3) Uani 1 1 d .
F33 F -0.2448(5) 0.2478(6) 0.5049(3) 0.101(3) Uani 1 1 d .
F34 F -0.1400(6) 0.3622(5) 0.5278(3) 0.094(3) Uani 1 1 d .
F35 F 0.0235(5) 0.3748(4) 0.4974(3) 0.066(2) Uani 1 1 d .
F36 F 0.2954(6) 0.3614(5) 0.3626(3) 0.090(3) Uani 1 1 d .
F37 F 0.4464(7) 0.3543(6) 0.3136(4) 0.122(4) Uani 1 1 d .
F38 F 0.5370(6) 0.2436(6) 0.3072(4) 0.112(4) Uani 1 1 d .
F39 F 0.4780(6) 0.1367(5) 0.3488(3) 0.091(3) Uani 1 1 d .
F40 F 0.3313(5) 0.1417(4) 0.3960(3) 0.072(2) Uani 1 1 d .
F41 F 0.0533(5) 0.1550(4) 0.5383(3) 0.072(2) Uani 1 1 d .
F42 F -0.1037(6) 0.1700(5) 0.5772(3) 0.100(3) Uani 1 1 d .
F43 F -0.1355(6) 0.2864(7) 0.6271(4) 0.130(5) Uani 1 1 d .
F44 F -0.0076(7) 0.3916(7) 0.6378(4) 0.126(5) Uani 1 1 d .
F45 F 0.1537(6) 0.3743(5) 0.5997(3) 0.094(3) Uani 1 1 d .
F46 F 0.4268(7) 0.3665(6) 0.4680(3) 0.097(3) Uani 1 1 d .
F47 F 0.5746(7) 0.3374(8) 0.4253(4) 0.149(6) Uani 1 1 d .
F48 F 0.6362(7) 0.2165(9) 0.4262(4) 0.170(7) Uani 1 1 d .
F49 F 0.5532(10) 0.1262(9) 0.4738(4) 0.180(8) Uani 1 1 d .
F50 F 0.4064(8) 0.1572(5) 0.5201(4) 0.102(3) Uani 1 1 d .
F51 F 0.2545(8) 0.1215(5) 0.5998(4) 0.103(3) Uani 1 1 d .
F52 F 0.1099(10) 0.0471(7) 0.6189(5) 0.172(7) Uani 1 1 d .
F53 F -0.0060(10) 0.0945(11) 0.6773(5) 0.253(12) Uani 1 1 d .
F54 F 0.0224(8) 0.2198(12) 0.7161(4) 0.234(11) Uani 1 1 d .
F55 F 0.1633(6) 0.2973(7) 0.6991(3) 0.110(4) Uani 1 1 d .
F56 F 0.3535(5) 0.4189(4) 0.5828(3) 0.074(2) Uani 1 1 d .
F57 F 0.4596(7) 0.5165(5) 0.5556(4) 0.120(4) Uani 1 1 d .
F58 F 0.6412(7) 0.5023(6) 0.5509(4) 0.120(4) Uani 1 1 d .
F59 F 0.7098(5) 0.3889(6) 0.5749(4) 0.100(3) Uani 1 1 d .
F60 F 0.6021(5) 0.2913(4) 0.6013(3) 0.072(2) Uani 1 1 d .
F61 F 0.3356(5) 0.1235(4) 0.7132(3) 0.068(2) Uani 1 1 d .
F62 F 0.1915(6) 0.0733(5) 0.7495(4) 0.105(4) Uani 1 1 d .
F63 F 0.1119(6) 0.1444(6) 0.8161(4) 0.120(4) Uani 1 1 d .
F64 F 0.1833(7) 0.2712(6) 0.8499(4) 0.102(3) Uani 1 1 d .
F65 F 0.3323(5) 0.3209(4) 0.8151(3) 0.070(2) Uani 1 1 d .
F66 F 0.5311(7) 0.4541(5) 0.6950(4) 0.098(3) Uani 1 1 d .
F67 F 0.6808(9) 0.5240(6) 0.6801(5) 0.152(6) Uani 1 1 d .
F68 F 0.8439(8) 0.4720(6) 0.6906(4) 0.139(5) Uani 1 1 d .
F69 F 0.8510(7) 0.3491(7) 0.7167(4) 0.127(4) Uani 1 1 d .
F70 F 0.6977(5) 0.2762(4) 0.7304(3) 0.080(2) Uani 1 1 d .
F71 F 0.5701(5) 0.1410(4) 0.7676(3) 0.073(2) Uani 1 1 d .
F72 F 0.4999(6) 0.0136(4) 0.7644(4) 0.093(3) Uani 1 1 d .
F73 F 0.3713(6) -0.0167(4) 0.8231(3) 0.087(3) Uani 1 1 d .
F74 F 0.3149(5) 0.0807(4) 0.8838(3) 0.079(3) Uani 1 1 d .
F75 F 0.3881(5) 0.2067(4) 0.8890(3) 0.060(2) Uani 1 1 d .
F76 F 0.4682(5) 0.4293(4) 0.8076(4) 0.089(3) Uani 1 1 d .
F77 F 0.5011(7) 0.5582(5) 0.7969(5) 0.137(5) Uani 1 1 d .
F78 F 0.6733(7) 0.6124(4) 0.8000(4) 0.108(4) Uani 1 1 d .
F79 F 0.8109(5) 0.5339(4) 0.8136(3) 0.082(3) Uani 1 1 d .
F80 F 0.7785(4) 0.4042(4) 0.8232(2) 0.0537(18) Uani 1 1 d .
F81 F 0.6771(5) 0.1076(4) 0.8769(3) 0.065(2) Uani 1 1 d .
F82 F 0.5882(6) -0.0090(4) 0.8868(3) 0.076(2) Uani 1 1 d .
F83 F 0.4601(6) -0.0127(4) 0.9489(3) 0.088(3) Uani 1 1 d .
F84 F 0.4235(6) 0.1007(5) 1.0010(3) 0.085(3) Uani 1 1 d .
F85 F 0.5138(5) 0.2180(4) 0.9919(3) 0.069(2) Uani 1 1 d .
F86 F 0.6373(4) 0.4690(3) 0.9284(3) 0.0572(18) Uani 1 1 d .
F87 F 0.7502(6) 0.5787(4) 0.9303(3) 0.078(2) Uani 1 1 d .
F88 F 0.9306(5) 0.5698(4) 0.9423(3) 0.085(3) Uani 1 1 d .
F89 F 0.9964(5) 0.4486(4) 0.9509(4) 0.089(3) Uani 1 1 d .
F90 F 0.8837(4) 0.3388(3) 0.9473(3) 0.0572(18) Uani 1 1 d .
F91 F 0.8479(5) 0.1873(4) 0.9445(3) 0.071(2) Uani 1 1 d .
F92 F 0.8872(7) 0.0628(5) 0.9175(4) 0.095(3) Uani 1 1 d .
F93 F 0.8338(7) -0.0395(4) 0.9642(4) 0.107(4) Uani 1 1 d .
F94 F 0.7317(6) -0.0127(4) 1.0395(4) 0.101(4) Uani 1 1 d .
F95 F 0.6877(6) 0.1126(4) 1.0656(3) 0.070(2) Uani 1 1 d .
F96 F 0.5735(5) 0.3688(5) 1.0307(4) 0.097(3) Uani 1 1 d .
F97 F 0.5269(7) 0.4937(7) 1.0516(5) 0.147(5) Uani 1 1 d .
F98 F 0.6537(8) 0.5983(5) 1.0751(5) 0.128(4) Uani 1 1 d .
F99 F 0.8288(6) 0.5740(4) 1.0775(3) 0.085(3) Uani 1 1 d .
F100 F 0.8767(4) 0.4494(3) 1.0571(2) 0.0551(18) Uani 1 1 d .
C121 C -0.5334(11) 0.2374(13) 0.1032(8) 0.105(7) Uani 1 1 d .
H12A H -0.5637 0.2431 0.0739 0.126 Uiso 1 1 calc R
C122 C -0.5020(12) 0.1762(10) 0.1117(7) 0.093(6) Uani 1 1 d .
H12H H -0.5121 0.1395 0.0879 0.112 Uiso 1 1 calc R
C123 C -0.4587(13) 0.1688(10) 0.1522(8) 0.102(6) Uani 1 1 d .
H12I H -0.4366 0.1272 0.1569 0.122 Uiso 1 1 calc R
C124 C -0.4453(11) 0.2214(11) 0.1879(6) 0.084(5) Uani 1 1 d .
H12J H -0.4143 0.2172 0.2173 0.101 Uiso 1 1 calc R
C125 C -0.4799(11) 0.2809(9) 0.1782(7) 0.080(5) Uani 1 1 d .
H12K H -0.4743 0.3176 0.2021 0.096 Uiso 1 1 calc R
C126 C -0.5189(12) 0.2875(10) 0.1381(7) 0.090(5) Uani 1 1 d .
H12L H -0.5383 0.3297 0.1327 0.108 Uiso 1 1 calc R
O21 O 0.0646(8) 0.2419(6) -0.0088(4) 0.089(3) Uani 1 1 d .
C127 C 0.1208(14) 0.2902(10) -0.0216(8) 0.111(7) Uani 1 1 d .
H12B H 0.1291 0.3284 0.0034 0.134 Uiso 1 1 calc R
H12C H 0.0951 0.3058 -0.0508 0.134 Uiso 1 1 calc R
C128 C 0.2113(14) 0.2617(10) -0.0297(7) 0.113(7) Uani 1 1 d .
H12D H 0.2360 0.2770 -0.0578 0.136 Uiso 1 1 calc R
H12E H 0.2553 0.2748 -0.0021 0.136 Uiso 1 1 calc R
C129 C 0.1894(16) 0.1888(10) -0.0367(9) 0.144(10) Uani 1 1 d .
H12F H 0.2349 0.1661 -0.0189 0.173 Uiso 1 1 calc R
H12G H 0.1876 0.1714 -0.0703 0.173 Uiso 1 1 calc R
C130 C 0.0993(12) 0.1780(8) -0.0189(7) 0.096(6) Uani 1 1 d .
H12N H 0.0585 0.1496 -0.0429 0.116 Uiso 1 1 calc R
H12O H 0.1048 0.1558 0.0099 0.116 Uiso 1 1 calc R
O22 O -0.1951(9) 0.1354(7) 0.3193(7) 0.138(6) Uani 1 1 d .
C131 C -0.1855(13) 0.0686(9) 0.3275(9) 0.120(8) Uani 1 1 d .
H13B H -0.1465 0.0659 0.3565 0.145 Uiso 1 1 calc R
H13C H -0.1619 0.0423 0.3007 0.145 Uiso 1 1 calc R
C132 C -0.2797(16) 0.0473(15) 0.3325(12) 0.180(14) Uani 1 1 d .
H13L H -0.2923 0.0006 0.3183 0.216 Uiso 1 1 calc R
H13M H -0.2892 0.0496 0.3662 0.216 Uiso 1 1 calc R
C133 C -0.338(2) 0.0865(18) 0.3110(19) 0.30(3) Uani 1 1 d .
H13J H -0.3910 0.0937 0.3291 0.357 Uiso 1 1 calc R
H13K H -0.3591 0.0667 0.2786 0.357 Uiso 1 1 calc R
C134 C -0.2819(17) 0.1485(13) 0.3115(11) 0.153(11) Uani 1 1 d .
H13H H -0.2916 0.1661 0.2810 0.184 Uiso 1 1 calc R
H13I H -0.2977 0.1822 0.3365 0.184 Uiso 1 1 calc R
C135 C 0.1022(10) 0.0007(9) 0.4592(7) 0.193(13) Uiso 1 1 d G
H13A H 0.0386 -0.0029 0.4554 0.231 Uiso 1 1 calc R
C136 C 0.1464(14) 0.0039(9) 0.5034(6) 0.178(12) Uiso 1 1 d G
H13D H 0.1132 0.0025 0.5300 0.213 Uiso 1 1 calc R
C137 C 0.2389(14) 0.0090(9) 0.5089(6) 0.183(12) Uiso 1 1 d G
H13E H 0.2693 0.0112 0.5393 0.219 Uiso 1 1 calc R
C138 C 0.2872(10) 0.0110(8) 0.4702(7) 0.166(11) Uiso 1 1 d G
H13F H 0.3508 0.0146 0.4740 0.200 Uiso 1 1 calc R
C139 C 0.2430(12) 0.0078(8) 0.4260(6) 0.132(8) Uiso 1 1 d G
H13G H 0.2762 0.0092 0.3994 0.158 Uiso 1 1 calc R
C140 C 0.1505(12) 0.0027(8) 0.4205(5) 0.131(8) Uiso 1 1 d G
H14A H 0.1201 0.0005 0.3901 0.157 Uiso 1 1 calc R
C141 C 0.5880(16) 0.0579(11) 0.6635(8) 0.100(6) Uani 1 1 d .
H14B H 0.5769 0.0332 0.6887 0.120 Uiso 1 1 calc R
C142 C 0.5384(13) 0.0454(8) 0.6220(9) 0.101(6) Uani 1 1 d .
H14C H 0.4940 0.0092 0.6176 0.121 Uiso 1 1 calc R
C143 C 0.5485(13) 0.0813(11) 0.5866(7) 0.107(7) Uani 1 1 d .
H14D H 0.5062 0.0755 0.5598 0.128 Uiso 1 1 calc R
C144 C 0.6182(17) 0.1250(11) 0.5894(6) 0.106(7) Uani 1 1 d .
H14E H 0.6317 0.1462 0.5629 0.128 Uiso 1 1 calc R
C145 C 0.6727(13) 0.1398(10) 0.6322(9) 0.108(7) Uani 1 1 d .
H14F H 0.7217 0.1725 0.6357 0.130 Uiso 1 1 calc R
C146 C 0.6523(16) 0.1057(13) 0.6679(6) 0.104(7) Uani 1 1 d .
H14G H 0.6859 0.1168 0.6975 0.125 Uiso 1 1 calc R
C147 C 0.9499(12) 0.2620(9) 0.8396(7) 0.233(16) Uiso 1 1 d G
H14H H 0.9808 0.2998 0.8578 0.279 Uiso 1 1 calc R
C148 C 0.9420(12) 0.2009(11) 0.8584(6) 0.151(9) Uiso 1 1 d G
H14I H 0.9676 0.1977 0.8892 0.181 Uiso 1 1 calc R
C149 C 0.8959(12) 0.1445(9) 0.8313(7) 0.179(12) Uiso 1 1 d G
H14J H 0.8906 0.1035 0.8439 0.214 Uiso 1 1 calc R
C150 C 0.8576(11) 0.1493(9) 0.7854(7) 0.153(9) Uiso 1 1 d G
H15A H 0.8267 0.1115 0.7672 0.183 Uiso 1 1 calc R
C151 C 0.8655(11) 0.2104(10) 0.7665(5) 0.184(12) Uiso 1 1 d G
H15B H 0.8399 0.2137 0.7357 0.221 Uiso 1 1 calc R
C152 C 0.9116(12) 0.2668(9) 0.7936(7) 0.143(9) Uiso 1 1 d G
H15C H 0.9169 0.3078 0.7810 0.172 Uiso 1 1 calc R
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'
Tl Tl -2.8358 9.6688 '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_3
O1 Tl1 O19 103.5(2) 1_454
O3 Tl3 O6 101.4(2) .
O5 Tl4 O22 110.9(4) .
O10 Tl5 O7 98.8(2) .
O9 Tl6 O8 100.3(2) .
O11 Tl7 O14 103.3(3) .
O12 Tl8 O13 97.4(2) .
O15 Tl9 O18 102.8(2) .
O1 Cu1 O4 164.0(4) .
O1 Cu1 O2 84.8(3) .
O4 Cu1 O2 97.6(3) .
O1 Cu1 O3 99.3(3) .
O4 Cu1 O3 83.0(3) .
O2 Cu1 O3 163.3(3) .
O5 Cu2 O8 163.8(4) .
O5 Cu2 O6 83.5(3) .
O8 Cu2 O6 98.2(3) .
O5 Cu2 O7 98.8(3) .
O8 Cu2 O7 83.0(3) .
O6 Cu2 O7 167.6(4) .
O9 Cu3 O11 99.6(3) .
O9 Cu3 O10 83.2(3) .
O11 Cu3 O10 168.6(4) .
O9 Cu3 O12 168.7(4) .
O11 Cu3 O12 82.1(3) .
O10 Cu3 O12 97.4(3) .
O13 Cu4 O16 166.8(3) .
O13 Cu4 O15 98.8(3) .
O16 Cu4 O15 82.5(3) .
O13 Cu4 O14 81.6(3) .
O16 Cu4 O14 100.0(3) .
O15 Cu4 O14 167.2(4) .
O17 Cu5 O19 100.1(3) .
O17 Cu5 O20 167.3(4) .
O19 Cu5 O20 83.1(3) .
O17 Cu5 O18 82.3(3) .
O19 Cu5 O18 167.6(4) .
O20 Cu5 O18 97.3(3) .
C1 O1 Cu1 121.7(6) .
C1 O1 Tl1 128.6(6) .
Cu1 O1 Tl1 104.5(3) .
C7 O2 Cu1 121.3(7) .
C7 O2 Tl2 128.1(8) .
Cu1 O2 Tl2 102.1(3) .
C13 O3 Cu1 123.6(6) .
C13 O3 Tl3 127.8(7) .
Cu1 O3 Tl3 103.6(3) .
C19 O4 Cu1 121.7(7) .
C25 O5 Cu2 121.9(6) .
C25 O5 Tl4 128.9(7) .
Cu2 O5 Tl4 99.9(3) .
C31 O6 Cu2 124.5(7) .
C31 O6 Tl3 127.9(8) .
Cu2 O6 Tl3 104.6(3) .
C37 O7 Cu2 125.0(6) .
C37 O7 Tl5 125.9(7) .
Cu2 O7 Tl5 99.5(3) .
C43 O8 Cu2 122.6(7) .
C43 O8 Tl6 123.6(7) .
Cu2 O8 Tl6 101.7(3) .
C49 O9 Cu3 127.4(7) .
C49 O9 Tl6 121.3(7) .
Cu3 O9 Tl6 105.8(3) .
C55 O10 Cu3 126.5(7) .
C55 O10 Tl5 126.3(8) .
Cu3 O10 Tl5 103.2(3) .
C61 O11 Cu3 123.1(7) .
C61 O11 Tl7 125.4(9) .
Cu3 O11 Tl7 103.0(3) .
C67 O12 Cu3 121.2(7) .
C67 O12 Tl8 128.8(7) .
Cu3 O12 Tl8 104.3(3) .
C73 O13 Cu4 123.6(7) .
C73 O13 Tl8 128.1(7) .
Cu4 O13 Tl8 102.4(3) .
C79 O14 Cu4 122.4(7) .
C79 O14 Tl7 128.2(8) .
Cu4 O14 Tl7 99.7(3) .
C85 O15 Cu4 122.6(6) .
C85 O15 Tl9 126.7(7) .
Cu4 O15 Tl9 104.3(3) .
C91 O16 Cu4 121.6(6) .
C97 O17 Cu5 122.9(7) .
C97 O17 Tl10 127.1(8) .
Cu5 O17 Tl10 103.2(3) .
C103 O18 Cu5 122.0(6) .
C103 O18 Tl9 129.7(7) .
Cu5 O18 Tl9 101.8(3) .
C109 O19 Cu5 126.6(8) .
C109 O19 Tl1 125.8(8) 1_656
Cu5 O19 Tl1 104.3(4) 1_656
C115 O20 Cu5 123.6(6) .
O1 C1 C6 122.7(11) .
O1 C1 C2 121.5(10) .
C6 C1 C2 115.8(11) .
F1 C2 C3 117.3(12) .
F1 C2 C1 119.0(11) .
C3 C2 C1 123.7(11) .
F2 C3 C4 117.3(13) .
F2 C3 C2 121.1(12) .
C4 C3 C2 121.5(14) .
F3 C4 C3 125.1(15) .
F3 C4 C5 118.0(14) .
C3 C4 C5 116.8(13) .
F4 C5 C4 121.1(13) .
F4 C5 C6 115.9(13) .
C4 C5 C6 123.0(12) .
F5 C6 C1 119.2(11) .
F5 C6 C5 121.7(10) .
C1 C6 C5 119.2(12) .
O2 C7 C12 124.8(13) .
O2 C7 C8 121.0(12) .
C12 C7 C8 114.0(12) .
F6 C8 C9 118.9(12) .
F6 C8 C7 116.9(11) .
C9 C8 C7 124.1(12) .
F7 C9 C10 122.1(15) .
F7 C9 C8 119.6(14) .
C10 C9 C8 118.2(14) .
F8 C10 C11 121.5(16) .
F8 C10 C9 117.8(17) .
C11 C10 C9 120.7(14) .
F9 C11 C10 121.2(15) .
F9 C11 C12 119.3(17) .
C10 C11 C12 119.5(15) .
F10 C12 C7 118.1(12) .
F10 C12 C11 118.4(13) .
C7 C12 C11 123.3(15) .
O3 C13 C18 120.2(11) .
O3 C13 C14 124.5(11) .
C18 C13 C14 115.2(12) .
F11 C14 C15 120.6(12) .
F11 C14 C13 116.7(12) .
C15 C14 C13 122.7(13) .
F12 C15 C14 120.2(14) .
F12 C15 C16 118.1(14) .
C14 C15 C16 121.6(14) .
F13 C16 C15 122.6(15) .
F13 C16 C17 118.2(15) .
C15 C16 C17 119.3(14) .
F14 C17 C18 121.8(14) .
F14 C17 C16 119.8(14) .
C18 C17 C16 118.3(13) .
F15 C18 C17 117.2(13) .
F15 C18 C13 120.0(13) .
C17 C18 C13 122.8(12) .
O4 C19 C20 121.6(14) .
O4 C19 C24 119.5(15) .
C20 C19 C24 118.8(16) .
F16 C20 C19 119.3(14) .
F16 C20 C21 120.3(16) .
C19 C20 C21 120.3(18) .
F17 C21 C22 124(2) .
F17 C21 C20 118.0(19) .
C22 C21 C20 117.5(19) .
C21 C22 F18 116(3) .
C21 C22 C23 126(2) .
F18 C22 C23 118(2) .
F19 C23 C22 125.1(19) .
F19 C23 C24 119(2) .
C22 C23 C24 116(2) .
F20 C24 C19 119.8(17) .
F20 C24 C23 119.0(18) .
C19 C24 C23 121.3(18) .
O5 C25 C30 122.5(12) .
O5 C25 C26 121.1(11) .
C30 C25 C26 116.3(13) .
F21 C26 C27 119.9(14) .
F21 C26 C25 118.5(13) .
C27 C26 C25 121.6(14) .
C28 C27 F22 119.3(15) .
C28 C27 C26 119.6(16) .
F22 C27 C26 120.9(15) .
C27 C28 F23 123.9(18) .
C27 C28 C29 121.6(16) .
F23 C28 C29 114.5(18) .
F24 C29 C30 118.6(17) .
F24 C29 C28 123.1(17) .
C30 C29 C28 118.2(15) .
F25 C30 C25 118.7(14) .
F25 C30 C29 118.8(14) .
C25 C30 C29 122.6(15) .
O6 C31 C36 123.9(13) .
O6 C31 C32 123.4(14) .
C36 C31 C32 112.7(14) .
C33 C32 F26 118.3(15) .
C33 C32 C31 126.6(17) .
F26 C32 C31 115.1(14) .
F27 C33 C32 127(2) .
F27 C33 C34 115.6(19) .
C32 C33 C34 117.3(17) .
F28 C34 C35 116(2) .
F28 C34 C33 123(2) .
C35 C34 C33 120.7(17) .
F29 C35 C34 120.7(19) .
F29 C35 C36 120.3(19) .
C34 C35 C36 118.6(19) .
F30 C36 C35 118.8(16) .
F30 C36 C31 117.3(12) .
C35 C36 C31 123.9(17) .
O7 C37 C42 122.1(11) .
O7 C37 C38 122.0(12) .
C42 C37 C38 115.4(11) .
C39 C38 F31 119.0(13) .
C39 C38 C37 123.0(13) .
F31 C38 C37 118.1(12) .
F32 C39 C38 121.8(15) .
F32 C39 C40 119.2(13) .
C38 C39 C40 118.9(12) .
F33 C40 C39 120.9(15) .
F33 C40 C41 119.2(15) .
C39 C40 C41 119.7(12) .
F34 C41 C42 123.3(14) .
F34 C41 C40 119.1(14) .
C42 C41 C40 117.5(14) .
C37 C42 F35 119.0(11) .
C37 C42 C41 125.5(12) .
F35 C42 C41 115.4(13) .
O8 C43 C48 123.5(12) .
O8 C43 C44 121.1(12) .
C48 C43 C44 115.4(11) .
C45 C44 F36 120.8(13) .
C45 C44 C43 121.7(14) .
F36 C44 C43 117.5(11) .
C46 C45 F37 119.5(15) .
C46 C45 C44 119.8(15) .
F37 C45 C44 120.6(16) .
C45 C46 C47 122.8(15) .
C45 C46 F38 120.3(16) .
C47 C46 F38 116.9(16) .
C46 C47 F39 123.8(13) .
C46 C47 C48 118.0(14) .
F39 C47 C48 118.1(13) .
F40 C48 C43 120.1(11) .
F40 C48 C47 117.6(13) .
C43 C48 C47 122.3(13) .
O9 C49 C50 122.2(14) .
O9 C49 C54 123.0(12) .
C50 C49 C54 114.8(12) .
F41 C50 C51 119.5(12) .
F41 C50 C49 118.6(12) .
C51 C50 C49 121.9(15) .
C50 C51 F42 120.9(15) .
C50 C51 C52 121.5(14) .
F42 C51 C52 117.5(13) .
F43 C52 C51 121.2(15) .
F43 C52 C53 119.3(18) .
C51 C52 C53 119.4(15) .
C54 C53 F44 119.9(15) .
C54 C53 C52 119.0(16) .
F44 C53 C52 120.7(15) .
F45 C54 C53 121.3(15) .
F45 C54 C49 115.4(12) .
C53 C54 C49 123.2(13) .
O10 C55 C60 123.4(14) .
O10 C55 C56 120.0(14) .
C60 C55 C56 116.3(15) .
F46 C56 C57 120.7(19) .
F46 C56 C55 118.4(13) .
C57 C56 C55 121(2) .
C58 C57 F47 123(2) .
C58 C57 C56 122(3) .
F47 C57 C56 115(3) .
F48 C58 C57 117(3) .
F48 C58 C59 124(3) .
C57 C58 C59 119(3) .
F49 C59 C60 125(3) .
F49 C59 C58 116(2) .
C60 C59 C58 119(2) .
F50 C60 C55 119.3(15) .
F50 C60 C59 117.5(19) .
C55 C60 C59 123(2) .
O11 C61 C62 122.2(16) .
O11 C61 C66 121.1(16) .
C62 C61 C66 116.6(16) .
F51 C62 C63 122(2) .
F51 C62 C61 119.0(17) .
C63 C62 C61 119(2) .
C64 C63 F52 114(2) .
C64 C63 C62 127(3) .
F52 C63 C62 119(3) .
C63 C64 F53 130(3) .
C63 C64 C65 116(2) .
F53 C64 C65 114(3) .
F54 C65 C66 116(3) .
F54 C65 C64 122(3) .
C66 C65 C64 123(2) .
F55 C66 C65 123.0(19) .
F55 C66 C61 117.6(14) .
C65 C66 C61 119(2) .
O12 C67 C68 122.5(11) .
O12 C67 C72 118.4(12) .
C68 C67 C72 119.1(12) .
F56 C68 C67 118.2(12) .
F56 C68 C69 118.9(13) .
C67 C68 C69 122.9(14) .
F57 C69 C68 120.2(16) .
F57 C69 C70 120.8(14) .
C68 C69 C70 119.0(15) .
F58 C70 C71 121.7(16) .
F58 C70 C69 120.6(17) .
C71 C70 C69 117.7(14) .
C70 C71 F59 118.6(14) .
C70 C71 C72 125.5(15) .
F59 C71 C72 115.9(15) .
F60 C72 C71 122.3(13) .
F60 C72 C67 121.7(13) .
C71 C72 C67 115.8(15) .
O13 C73 C74 121.5(13) .
O13 C73 C78 122.0(11) .
C74 C73 C78 116.5(12) .
F61 C74 C73 119.0(12) .
F61 C74 C75 116.2(13) .
C73 C74 C75 124.8(15) .
F62 C75 C76 120.6(15) .
F62 C75 C74 121.9(17) .
C76 C75 C74 117.5(15) .
C75 C76 F63 118.4(18) .
C75 C76 C77 122.8(14) .
F63 C76 C77 118.8(19) .
F64 C77 C78 121.9(17) .
F64 C77 C76 121.7(15) .
C78 C77 C76 116.5(16) .
F65 C78 C77 118.8(15) .
F65 C78 C73 119.3(12) .
C77 C78 C73 121.9(14) .
C84 C79 C80 118.5(14) .
C84 C79 O14 121.9(13) .
C80 C79 O14 119.5(15) .
F66 C80 C79 121.5(13) .
F66 C80 C81 117.5(15) .
C79 C80 C81 121.0(17) .
C82 C81 F67 122.4(19) .
C82 C81 C80 120.5(17) .
F67 C81 C80 117.0(19) .
C81 C82 C83 120.5(18) .
C81 C82 F68 119(2) .
C83 C82 F68 120(2) .
F69 C83 C82 119.5(17) .
F69 C83 C84 121.9(18) .
C82 C83 C84 119(2) .
F70 C84 C79 122.6(14) .
F70 C84 C83 116.6(16) .
C79 C84 C83 120.8(16) .
O15 C85 C86 124.1(11) .
O15 C85 C90 121.0(11) .
C86 C85 C90 114.8(11) .
F71 C86 C85 118.0(11) .
F71 C86 C87 119.2(13) .
C85 C86 C87 122.7(13) .
F72 C87 C86 119.3(14) .
F72 C87 C88 120.2(13) .
C86 C87 C88 120.4(15) .
F73 C88 C89 121.2(14) .
F73 C88 C87 120.5(16) .
C89 C88 C87 118.3(12) .
C90 C89 F74 121.5(14) .
C90 C89 C88 120.6(13) .
F74 C89 C88 117.8(12) .
C89 C90 F75 119.0(12) .
C89 C90 C85 123.1(13) .
F75 C90 C85 117.8(10) .
O16 C91 C96 121.8(10) .
O16 C91 C92 121.3(10) .
C96 C91 C92 116.9(11) .
C93 C92 F76 119.4(12) .
C93 C92 C91 122.1(12) .
F76 C92 C91 118.3(11) .
C92 C93 F77 120.4(13) .
C92 C93 C94 120.7(14) .
F77 C93 C94 118.8(14) .
C95 C94 F78 120.6(13) .
C95 C94 C93 119.5(14) .
F78 C94 C93 119.9(14) .
F79 C95 C94 120.9(12) .
F79 C95 C96 120.2(11) .
C94 C95 C96 118.9(11) .
F80 C96 C91 120.8(10) .
F80 C96 C95 117.4(10) .
C91 C96 C95 121.8(11) .
O17 C97 C102 123.1(12) .
O17 C97 C98 121.4(12) .
C102 C97 C98 115.4(11) .
F81 C98 C99 117.7(13) .
F81 C98 C97 118.8(10) .
C99 C98 C97 123.4(13) .
F82 C99 C100 121.5(12) .
F82 C99 C98 120.0(14) .
C100 C99 C98 118.4(14) .
F83 C100 C99 120.2(14) .
F83 C100 C101 118.2(13) .
C99 C100 C101 121.6(11) .
F84 C101 C100 121.5(11) .
F84 C101 C102 120.3(15) .
C100 C101 C102 118.2(14) .
F85 C102 C97 119.5(10) .
F85 C102 C101 117.5(13) .
C97 C102 C101 123.0(14) .
O18 C103 C108 123.6(11) .
O18 C103 C104 121.4(10) .
C108 C103 C104 114.9(10) .
C105 C104 F86 118.4(11) .
C105 C104 C103 123.0(11) .
F86 C104 C103 118.5(9) .
C104 C105 F87 121.4(11) .
C104 C105 C106 119.2(12) .
F87 C105 C106 119.4(11) .
C107 C106 F88 122.2(13) .
C107 C106 C105 119.6(11) .
F88 C106 C105 118.2(13) .
F89 C107 C106 120.2(11) .
F89 C107 C108 120.7(13) .
C106 C107 C108 119.1(12) .
C103 C108 C107 124.1(12) .
C103 C108 F90 118.0(9) .
C107 C108 F90 117.8(11) .
O19 C109 C114 123.0(14) .
O19 C109 C110 122.9(12) .
C114 C109 C110 114.0(14) .
C111 C110 F91 118.9(17) .
C111 C110 C109 123.4(15) .
F91 C110 C109 117.7(13) .
C110 C111 C112 123.7(18) .
C110 C111 F92 120.3(15) .
C112 C111 F92 115.9(15) .
F93 C112 C111 123.5(18) .
F93 C112 C113 119.8(14) .
C111 C112 C113 116.7(15) .
F94 C113 C114 120.7(17) .
F94 C113 C112 120.7(15) .
C114 C113 C112 118.4(15) .
F95 C114 C113 117.7(14) .
F95 C114 C109 118.5(13) .
C113 C114 C109 123.7(17) .
O20 C115 C116 125.0(10) .
O20 C115 C120 121.7(10) .
C116 C115 C120 113.4(11) .
F96 C116 C115 118.2(13) .
F96 C116 C117 119.1(12) .
C115 C116 C117 122.7(12) .
F97 C117 C118 122.7(17) .
F97 C117 C116 118.2(16) .
C118 C117 C116 119.0(13) .
C119 C118 F98 120.6(16) .
C119 C118 C117 120.2(15) .
F98 C118 C117 119.1(16) .
C120 C119 F99 122.2(13) .
C120 C119 C118 119.6(14) .
F99 C119 C118 118.2(14) .
C119 C120 F100 117.4(10) .
C119 C120 C115 125.1(12) .
F100 C120 C115 117.4(10) .
C126 C121 C122 117(2) .
C123 C122 C121 121.1(19) .
C122 C123 C124 120(2) .
C123 C124 C125 116.4(18) .
C126 C125 C124 122.0(19) .
C125 C126 C121 123(2) .
C127 O21 C130 110.4(13) .
O21 C127 C128 108.7(16) .
C129 C128 C127 103.7(17) .
C128 C129 C130 106.0(17) .
O21 C130 C129 107.7(14) .
C134 O22 C131 112.5(16) .
C134 O22 Tl4 123.5(13) .
C131 O22 Tl4 118.5(12) .
O22 C131 C132 100(2) .
C133 C132 C131 112(3) .
C132 C133 C134 102(3) .
O22 C134 C133 108(2) .
C140 C135 C136 120.0 .
C137 C136 C135 120.0 .
C138 C137 C136 120.0 .
C137 C138 C139 120.0 .
C138 C139 C140 120.0 .
C135 C140 C139 120.0 .
C146 C141 C142 117(2) .
C143 C142 C141 123.1(19) .
C144 C143 C142 118.9(19) .
C143 C144 C145 119.4(19) .
C146 C145 C144 117(2) .
C141 C146 C145 123(2) .
C148 C147 C152 120.0 .
C147 C148 C149 120.0 .
C150 C149 C148 120.0 .
C149 C150 C151 120.0 .
C152 C151 C150 120.0 .
C151 C152 C147 120.0 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tl1 O1 2.757(7) .
Tl1 O19 2.767(10) 1_454
Tl2 O2 2.710(7) .
Tl3 O3 2.660(7) .
Tl3 O6 2.702(8) .
Tl4 O5 2.725(8) .
Tl4 O22 2.738(12) .
Tl5 O10 2.664(8) .
Tl5 O7 2.716(7) .
Tl6 O9 2.735(8) .
Tl6 O8 2.763(7) .
Tl7 O11 2.709(8) .
Tl7 O14 2.755(8) .
Tl8 O12 2.716(8) .
Tl8 O13 2.749(8) .
Tl9 O15 2.629(8) .
Tl9 O18 2.654(7) .
Tl10 O17 2.746(8) .
Cu1 O1 1.907(7) .
Cu1 O4 1.929(7) .
Cu1 O2 1.934(7) .
Cu1 O3 1.953(8) .
Cu2 O5 1.927(7) .
Cu2 O8 1.931(7) .
Cu2 O6 1.937(8) .
Cu2 O7 1.943(7) .
Cu3 O9 1.912(7) .
Cu3 O11 1.919(7) .
Cu3 O10 1.924(7) .
Cu3 O12 1.928(7) .
Cu4 O13 1.918(6) .
Cu4 O16 1.922(6) .
Cu4 O15 1.927(7) .
Cu4 O14 1.946(8) .
Cu5 O17 1.915(7) .
Cu5 O19 1.916(7) .
Cu5 O20 1.916(7) .
Cu5 O18 1.935(7) .
O1 C1 1.313(13) .
O2 C7 1.307(14) .
O3 C13 1.308(13) .
O4 C19 1.362(16) .
O5 C25 1.313(14) .
O6 C31 1.301(16) .
O7 C37 1.331(13) .
O8 C43 1.301(14) .
O9 C49 1.324(15) .
O10 C55 1.322(15) .
O11 C61 1.320(15) .
O12 C67 1.349(14) .
O13 C73 1.346(14) .
O14 C79 1.342(14) .
O15 C85 1.331(13) .
O16 C91 1.333(13) .
O17 C97 1.325(13) .
O18 C103 1.335(12) .
O19 C109 1.302(15) .
O19 Tl1 2.767(10) 1_656
O20 C115 1.310(13) .
C1 C6 1.395(14) .
C1 C2 1.398(17) .
C2 F1 1.345(13) .
C2 C3 1.365(18) .
C3 F2 1.312(16) .
C3 C4 1.345(19) .
C4 F3 1.296(15) .
C4 C5 1.39(2) .
C5 F4 1.375(14) .
C5 C6 1.405(18) .
C6 F5 1.290(13) .
C7 C12 1.364(18) .
C7 C8 1.406(18) .
C8 F6 1.377(13) .
C8 C9 1.384(18) .
C9 F7 1.310(16) .
C9 C10 1.38(2) .
C10 F8 1.304(16) .
C10 C11 1.34(2) .
C11 F9 1.317(17) .
C11 C12 1.41(2) .
C12 F10 1.348(16) .
C13 C18 1.387(17) .
C13 C14 1.393(16) .
C14 F11 1.330(14) .
C14 C15 1.331(19) .
C15 F12 1.315(15) .
C15 C16 1.35(2) .
C16 F13 1.332(16) .
C16 C17 1.39(2) .
C17 F14 1.324(15) .
C17 C18 1.38(2) .
C18 F15 1.350(14) .
C19 C20 1.38(2) .
C19 C24 1.39(2) .
C20 F16 1.293(19) .
C20 C21 1.43(2) .
C21 F17 1.301(19) .
C21 C22 1.32(3) .
C22 F18 1.34(2) .
C22 C23 1.36(3) .
C23 F19 1.29(2) .
C23 C24 1.43(2) .
C24 F20 1.330(19) .
C25 C30 1.360(17) .
C25 C26 1.432(18) .
C26 F21 1.298(15) .
C26 C27 1.36(2) .
C27 C28 1.32(2) .
C27 F22 1.334(17) .
C28 F23 1.362(19) .
C28 C29 1.41(2) .
C29 F24 1.324(17) .
C29 C30 1.36(2) .
C30 F25 1.357(16) .
C31 C36 1.38(2) .
C31 C32 1.405(19) .
C32 C33 1.31(2) .
C32 F26 1.360(17) .
C33 F27 1.287(19) .
C33 C34 1.39(3) .
C34 F28 1.33(2) .
C34 C35 1.36(3) .
C35 F29 1.35(2) .
C35 C36 1.37(2) .
C36 F30 1.350(17) .
C37 C42 1.332(18) .
C37 C38 1.405(17) .
C38 C39 1.342(19) .
C38 F31 1.348(15) .
C39 F32 1.310(15) .
C39 C40 1.38(2) .
C40 F33 1.321(15) .
C40 C41 1.40(2) .
C41 F34 1.302(16) .
C41 C42 1.351(18) .
C42 F35 1.350(14) .
C43 C48 1.347(18) .
C43 C44 1.411(18) .
C44 C45 1.352(19) .
C44 F36 1.367(16) .
C45 C46 1.31(2) .
C45 F37 1.345(17) .
C46 C47 1.33(2) .
C46 F38 1.389(17) .
C47 F39 1.348(17) .
C47 C48 1.401(18) .
C48 F40 1.329(14) .
C49 C50 1.392(17) .
C49 C54 1.40(2) .
C50 F41 1.332(16) .
C50 C51 1.333(18) .
C51 F42 1.349(15) .
C51 C52 1.36(2) .
C52 F43 1.359(17) .
C52 C53 1.36(2) .
C53 C54 1.353(19) .
C53 F44 1.362(19) .
C54 F45 1.346(14) .
C55 C60 1.35(2) .
C55 C56 1.40(2) .
C56 F46 1.33(2) .
C56 C57 1.40(2) .
C57 C58 1.31(4) .
C57 F47 1.37(3) .
C58 F48 1.31(3) .
C58 C59 1.41(4) .
C59 F49 1.27(3) .
C59 C60 1.37(3) .
C60 F50 1.303(19) .
C61 C62 1.39(2) .
C61 C66 1.42(2) .
C62 F51 1.27(2) .
C62 C63 1.37(3) .
C63 C64 1.27(4) .
C63 F52 1.28(3) .
C64 F53 1.30(2) .
C64 C65 1.40(4) .
C65 F54 1.32(3) .
C65 C66 1.36(3) .
C66 F55 1.30(2) .
C67 C68 1.368(18) .
C67 C72 1.423(18) .
C68 F56 1.323(15) .
C68 C69 1.374(19) .
C69 F57 1.300(18) .
C69 C70 1.40(2) .
C70 F58 1.322(16) .
C70 C71 1.35(2) .
C71 F59 1.369(16) .
C71 C72 1.39(2) .
C72 F60 1.272(16) .
C73 C74 1.357(18) .
C73 C78 1.392(19) .
C74 F61 1.353(16) .
C74 C75 1.360(18) .
C75 F62 1.304(17) .
C75 C76 1.34(2) .
C76 F63 1.354(16) .
C76 C77 1.41(2) .
C77 F64 1.276(18) .
C77 C78 1.387(19) .
C78 F65 1.289(15) .
C79 C84 1.34(2) .
C79 C80 1.34(2) .
C80 F66 1.332(19) .
C80 C81 1.41(2) .
C81 C82 1.32(3) .
C81 F67 1.36(2) .
C82 C83 1.35(3) .
C82 F68 1.358(18) .
C83 F69 1.30(2) .
C83 C84 1.44(2) .
C84 F70 1.302(17) .
C85 C86 1.364(18) .
C85 C90 1.405(17) .
C86 F71 1.364(15) .
C86 C87 1.367(18) .
C87 F72 1.356(17) .
C87 C88 1.37(2) .
C88 F73 1.329(15) .
C88 C89 1.37(2) .
C89 C90 1.332(17) .
C89 F74 1.333(15) .
C90 F75 1.339(14) .
C91 C96 1.359(14) .
C91 C92 1.371(16) .
C92 C93 1.330(19) .
C92 F76 1.339(13) .
C93 F77 1.350(17) .
C93 C94 1.38(2) .
C94 C95 1.334(19) .
C94 F78 1.350(16) .
C95 F79 1.309(13) .
C95 C96 1.408(16) .
C96 F80 1.328(12) .
C97 C102 1.344(18) .
C97 C98 1.391(18) .
C98 F81 1.349(14) .
C98 C99 1.384(17) .
C99 F82 1.325(16) .
C99 C100 1.34(2) .
C100 F83 1.338(13) .
C100 C101 1.36(2) .
C101 F84 1.320(17) .
C101 C102 1.409(16) .
C102 F85 1.337(15) .
C103 C108 1.359(15) .
C103 C104 1.381(16) .
C104 C105 1.340(15) .
C104 F86 1.340(12) .
C105 F87 1.349(14) .
C105 C106 1.396(18) .
C106 C107 1.334(19) .
C106 F88 1.349(13) .
C107 F89 1.324(15) .
C107 C108 1.361(15) .
C108 F90 1.363(13) .
C109 C114 1.381(18) .
C109 C110 1.38(2) .
C110 C111 1.31(2) .
C110 F91 1.354(16) .
C111 C112 1.35(2) .
C111 F92 1.369(19) .
C112 F93 1.344(17) .
C112 C113 1.41(2) .
C113 F94 1.318(16) .
C113 C114 1.38(2) .
C114 F95 1.351(18) .
C115 C116 1.378(16) .
C115 C120 1.397(14) .
C116 F96 1.341(14) .
C116 C117 1.40(2) .
C117 F97 1.299(16) .
C117 C118 1.36(2) .
C118 C119 1.35(2) .
C118 F98 1.355(17) .
C119 C120 1.331(18) .
C119 F99 1.343(15) .
C120 F100 1.334(13) .
C121 C126 1.32(3) .
C121 C122 1.38(3) .
C122 C123 1.30(2) .
C123 C124 1.37(2) .
C124 C125 1.38(2) .
C125 C126 1.26(2) .
O21 C127 1.34(2) .
O21 C130 1.425(18) .
C127 C128 1.52(3) .
C128 C129 1.47(3) .
C129 C130 1.48(2) .
O22 C134 1.34(2) .
O22 C131 1.41(2) .
C131 C132 1.46(3) .
C132 C133 1.37(4) .
C133 C134 1.46(4) .
C135 C140 1.366(9) .
C135 C136 1.366(9) .
C136 C137 1.366(9) .
C137 C138 1.366(9) .
C138 C139 1.366(9) .
C139 C140 1.366(9) .
C141 C146 1.30(3) .
C141 C142 1.33(3) .
C142 C143 1.32(2) .
C143 C144 1.31(3) .
C144 C145 1.40(3) .
C145 C146 1.34(3) .
C147 C148 1.402(9) .
C147 C152 1.402(9) .
C148 C149 1.402(9) .
C149 C150 1.402(9) .
C150 C151 1.402(9) .
C151 C152 1.402(9) .
