#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:02:01 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228993 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/97/7229749.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_7229749
loop_
_publ_author_name
'Zhu, Mei'
'Jia, Lingjie'
'Li, Yang'
'Li, Yungai'
'Zhang, Li'
'Zhang, Wei'
'Lü, Yaohong'
_publ_section_title
;
 Nitronyl nitroxide bridged 3d--4f hetero-tri-spin chains: synthesis
 strategy, crystal structure and magnetic properties
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              420
_journal_paper_doi               10.1039/C7CE01962A
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'C135 H103 Cu F66 N8 O34 Pr3'
_chemical_formula_weight         4121.53
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-09-21 deposited with the CCDC.
2017-12-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 113.798(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.257(4)
_cell_length_b                   43.633(8)
_cell_length_c                   20.173(4)
_cell_measurement_reflns_used    38351
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      28.1
_cell_measurement_theta_min      1.2
_cell_volume                     16314(5)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'profile data from 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  0.0701
_diffrn_reflns_av_sigmaI/netI    0.0826
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       -51
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            87628
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.78
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.156
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.712
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.678
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             8163
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.366
_refine_diff_density_min         -0.957
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2240
_refine_ls_number_reflns         28175
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      0.988
_refine_ls_R_factor_all          0.0730
_refine_ls_R_factor_gt           0.0580
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1517
_refine_ls_wR_factor_ref         0.1638
_reflns_number_gt                23865
_reflns_number_total             28175
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7ce01962a2.cif
_cod_data_source_block           m120929a1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/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 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7229746--7229753.cif.
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7229749
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Pr1 Pr 0.443110(16) 0.116704(6) 0.302911(16) 0.02113(9) Uani 1 1 d .
Pr2 Pr -0.061082(15) 0.099209(6) 0.821894(15) 0.01903(9) Uani 1 1 d .
Pr3 Pr 0.202585(17) 0.109926(8) 0.579402(17) 0.02692(9) Uani 1 1 d .
Cu1 Cu 0.68505(4) 0.137385(15) 0.04533(4) 0.02484(16) Uani 1 1 d .
F1 F 0.2996(3) 0.02430(10) 0.3037(3) 0.0800(16) Uani 1 1 d .
F2 F 0.3474(3) -0.01022(9) 0.2605(3) 0.0721(14) Uani 1 1 d .
F3 F 0.2822(2) 0.02523(11) 0.1914(3) 0.0675(13) Uani 1 1 d .
F4 F 0.6307(4) 0.03952(16) 0.4523(3) 0.146(3) Uani 1 1 d .
F5 F 0.5976(3) 0.00089(9) 0.3849(3) 0.0768(14) Uani 1 1 d .
F6 F 0.6442(3) 0.03777(13) 0.3542(3) 0.101(2) Uani 1 1 d .
F7 F 0.2908(3) 0.16912(13) 0.0883(2) 0.0819(17) Uani 1 1 d .
F8 F 0.2009(3) 0.14879(13) 0.1010(3) 0.0882(16) Uani 1 1 d .
F9 F 0.2210(2) 0.19642(10) 0.1193(2) 0.0611(12) Uani 1 1 d .
F10 F 0.3996(3) 0.22208(10) 0.3976(2) 0.0711(14) Uani 1 1 d .
F11 F 0.3640(2) 0.18890(9) 0.4532(2) 0.0571(11) Uani 1 1 d .
F12 F 0.2865(2) 0.21536(10) 0.3691(2) 0.0669(13) Uani 1 1 d .
F13 F 0.5972(2) 0.16546(11) 0.5348(2) 0.0669(13) Uani 1 1 d .
F14 F 0.6548(3) 0.19904(11) 0.5013(2) 0.0716(14) Uani 1 1 d .
F15 F 0.6802(2) 0.15132(12) 0.5013(2) 0.0650(12) Uani 1 1 d .
F16 F 0.4333(3) 0.23431(11) 0.2530(3) 0.0944(19) Uani 1 1 d .
F17 F 0.5416(2) 0.23684(9) 0.2606(2) 0.0637(12) Uani 1 1 d .
F18 F 0.4631(3) 0.21142(9) 0.1743(2) 0.0662(13) Uani 1 1 d .
F19 F 0.6607(2) 0.06848(8) 0.2062(2) 0.0442(9) Uani 1 1 d .
F20 F 0.7648(2) 0.07654(9) 0.28910(19) 0.0567(11) Uani 1 1 d .
F21 F 0.7532(2) 0.05092(8) 0.1940(2) 0.0523(11) Uani 1 1 d .
F22 F 0.8597(2) 0.17494(9) 0.30257(19) 0.0583(11) Uani 1 1 d .
F23 F 0.80264(18) 0.20822(7) 0.22184(19) 0.0387(8) Uani 1 1 d .
F24 F 0.8870(2) 0.18251(10) 0.2113(2) 0.0628(12) Uani 1 1 d .
F25 F 0.6461(2) 0.06779(8) -0.13287(18) 0.0430(9) Uani 1 1 d .
F26 F 0.5889(2) 0.09845(8) -0.22092(18) 0.0433(9) Uani 1 1 d .
F27 F 0.53316(19) 0.07812(8) -0.16062(19) 0.0444(9) Uani 1 1 d .
F28 F 0.52607(19) 0.20916(8) -0.11362(19) 0.0438(9) Uani 1 1 d .
F29 F 0.6330(2) 0.22524(8) -0.0923(2) 0.0482(10) Uani 1 1 d .
F30 F 0.5712(2) 0.20202(8) -0.19246(18) 0.0473(10) Uani 1 1 d .
F31 F -0.0758(3) -0.01618(10) 0.8403(2) 0.097(2) Uani 1 1 d .
F32 F -0.0272(3) -0.01135(10) 0.7633(4) 0.104(2) Uani 1 1 d .
F33 F -0.1349(2) -0.02749(8) 0.7296(2) 0.0566(11) Uani 1 1 d .
F34 F -0.2927(2) 0.08676(10) 0.5980(2) 0.0596(12) Uani 1 1 d .
F35 F -0.32196(18) 0.04146(8) 0.61490(18) 0.0412(9) Uani 1 1 d .
F36 F -0.32735(18) 0.07793(10) 0.6833(2) 0.0541(11) Uani 1 1 d .
F37 F 0.21774(19) 0.07525(10) 1.0565(2) 0.0584(12) Uani 1 1 d .
F38 F 0.1384(2) 0.03978(8) 1.0148(2) 0.0562(11) Uani 1 1 d .
F39 F 0.1216(2) 0.07618(9) 1.07675(18) 0.0499(10) Uani 1 1 d .
F40 F 0.13245(19) 0.16867(8) 0.80993(19) 0.0415(9) Uani 1 1 d .
F41 F 0.22043(18) 0.15799(8) 0.9106(2) 0.0457(9) Uani 1 1 d .
F42 F 0.1317(2) 0.18505(8) 0.9102(2) 0.0514(10) Uani 1 1 d .
F43 F 0.0557(2) 0.14875(8) 1.05495(18) 0.0438(9) Uani 1 1 d .
F44 F 0.0445(2) 0.19600(8) 1.0236(2) 0.0496(10) Uani 1 1 d .
F45 F -0.0390(2) 0.17320(10) 1.04592(19) 0.0525(11) Uani 1 1 d .
F46 F -0.1785(2) 0.19742(9) 0.7019(2) 0.0524(10) Uani 1 1 d .
F47 F -0.0697(2) 0.21225(9) 0.7363(2) 0.0586(12) Uani 1 1 d .
F48 F -0.1357(3) 0.22803(9) 0.7903(2) 0.0673(13) Uani 1 1 d .
F49 F 0.0745(3) 0.00561(12) 0.5460(3) 0.0857(17) Uani 1 1 d .
F50 F 0.0198(2) 0.03430(10) 0.5947(2) 0.0606(11) Uani 1 1 d .
F51 F 0.0889(2) -0.00117(10) 0.6566(3) 0.0787(15) Uani 1 1 d .
F52 F 0.3344(2) 0.01207(10) 0.7878(2) 0.0673(13) Uani 1 1 d .
F53 F 0.3918(2) 0.03299(10) 0.7310(2) 0.0526(11) Uani 1 1 d .
F54 F 0.3717(2) 0.05791(10) 0.8108(2) 0.0575(11) Uani 1 1 d .
F55 F 0.2394(3) 0.00544(12) 0.5261(2) 0.0917(18) Uani 1 1 d .
F56 F 0.2575(2) 0.01999(12) 0.4338(3) 0.0769(15) Uani 1 1 d .
F57 F 0.1579(2) -0.00203(10) 0.4189(2) 0.0643(12) Uani 1 1 d .
F58 F -0.0195(3) 0.07188(15) 0.3048(3) 0.119(2) Uani 1 1 d U
F59 F -0.0093(3) 0.11792(14) 0.3368(3) 0.117(2) Uani 1 1 d U
F60 F -0.0501(3) 0.08682(16) 0.3838(3) 0.1006(18) Uani 1 1 d U
F61 F 0.3173(4) 0.16666(16) 0.8160(3) 0.121(3) Uani 1 1 d .
F62 F 0.4014(4) 0.16793(18) 0.7810(4) 0.135(3) Uani 1 1 d .
F63 F 0.3458(4) 0.20866(13) 0.7811(3) 0.121(2) Uani 1 1 d .
F64 F 0.1956(4) 0.24278(11) 0.5491(3) 0.117(2) Uani 1 1 d .
F65 F 0.1891(3) 0.21471(11) 0.4616(2) 0.0804(16) Uani 1 1 d .
F66 F 0.1031(3) 0.21602(15) 0.4946(4) 0.126(3) Uani 1 1 d .
O1 O 0.0820(2) 0.14398(9) 0.22094(19) 0.0304(9) Uani 1 1 d .
O2 O 0.3064(2) 0.12185(10) 0.5526(2) 0.0347(10) Uani 1 1 d .
O3 O 0.4026(2) 0.09111(9) 0.39023(19) 0.0276(9) Uani 1 1 d .
O4 O 0.3811(2) 0.06771(9) 0.2585(2) 0.0320(9) Uani 1 1 d .
O5 O 0.5304(2) 0.07502(9) 0.3478(2) 0.0310(9) Uani 1 1 d .
O6 O 0.3327(2) 0.13597(9) 0.2138(2) 0.0288(9) Uani 1 1 d .
O7 O 0.3939(2) 0.15546(9) 0.3596(2) 0.0281(9) Uani 1 1 d .
O8 O 0.5450(2) 0.14047(9) 0.3969(2) 0.0286(9) Uani 1 1 d .
O9 O 0.4687(2) 0.16600(8) 0.2603(2) 0.0281(9) Uani 1 1 d .
O10 O 0.4864(2) 0.10369(8) 0.2110(2) 0.0287(9) Uani 1 1 d .
O11 O 0.7557(2) 0.19012(8) 0.3903(2) 0.0307(9) Uani 1 1 d .
O12 O 0.5736(2) 0.15077(8) 0.0567(2) 0.0269(9) Uani 1 1 d .
O13 O 0.6939(2) 0.10364(8) 0.1114(2) 0.0264(9) Uani 1 1 d .
O14 O 0.7433(2) 0.16452(8) 0.1220(2) 0.0257(8) Uani 1 1 d .
O15 O 0.6497(2) 0.10871(8) -0.0352(2) 0.0275(9) Uani 1 1 d .
O16 O 0.6554(2) 0.17304(8) -0.0178(2) 0.0256(8) Uani 1 1 d .
O17 O -0.1880(2) 0.12462(9) 1.0601(2) 0.0291(9) Uani 1 1 d .
O18 O -0.3064(2) 0.20258(8) 0.76026(19) 0.0276(9) Uani 1 1 d .
O19 O -0.13469(19) 0.07820(8) 0.88078(18) 0.0220(8) Uani 1 1 d .
O20 O -0.06388(19) 0.04435(8) 0.79748(18) 0.0238(8) Uani 1 1 d .
O21 O -0.17894(18) 0.08642(8) 0.72973(18) 0.0214(8) Uani 1 1 d .
O22 O 0.0445(2) 0.07838(8) 0.91994(19) 0.0264(8) Uani 1 1 d .
O23 O 0.04525(19) 0.12994(8) 0.83546(19) 0.0249(8) Uani 1 1 d .
O24 O -0.0387(2) 0.13162(8) 0.92722(19) 0.0273(9) Uani 1 1 d .
O25 O -0.1061(2) 0.15096(8) 0.78148(19) 0.0247(8) Uani 1 1 d .
O26 O -0.0494(2) 0.09374(9) 0.7048(2) 0.0283(9) Uani 1 1 d .
O27 O 0.2725(2) 0.04641(8) 0.9054(2) 0.0295(9) Uani 1 1 d .
O28 O 0.1191(2) 0.13267(9) 0.6264(2) 0.0302(9) Uani 1 1 d .
O29 O 0.1300(2) 0.06779(10) 0.5951(2) 0.0335(9) Uani 1 1 d .
O30 O 0.2789(2) 0.07614(9) 0.6750(2) 0.0317(9) Uani 1 1 d .
O31 O 0.2208(2) 0.06653(11) 0.5126(2) 0.0421(11) Uani 1 1 d .
O32 O 0.1002(2) 0.10607(10) 0.4626(2) 0.0340(10) Uani 1 1 d .
O33 O 0.2744(2) 0.14314(10) 0.6802(2) 0.0364(10) Uani 1 1 d .
O34 O 0.1856(2) 0.16356(10) 0.5398(2) 0.0329(10) Uani 1 1 d .
N1 N 0.3496(2) 0.11089(11) 0.5248(2) 0.0278(11) Uani 1 1 d .
N2 N 0.3948(2) 0.09678(11) 0.4488(2) 0.0270(11) Uani 1 1 d .
N3 N 0.4930(2) 0.11310(9) 0.1530(2) 0.0233(10) Uani 1 1 d .
N4 N 0.5332(2) 0.13524(10) 0.0802(2) 0.0242(10) Uani 1 1 d .
N5 N -0.1641(2) 0.10547(10) 1.0269(2) 0.0216(10) Uani 1 1 d .
N6 N -0.1408(2) 0.08363(10) 0.9416(2) 0.0203(9) Uani 1 1 d .
N7 N -0.0195(3) 0.10792(11) 0.6676(2) 0.0268(11) Uani 1 1 d .
N8 N 0.0588(2) 0.12697(11) 0.6317(2) 0.0265(10) Uani 1 1 d .
C1 C 0.3353(3) 0.10876(13) 0.4541(3) 0.0253(12) Uani 1 1 d .
C2 C 0.4271(3) 0.10360(16) 0.5736(3) 0.0365(15) Uani 1 1 d .
C3 C 0.4644(4) 0.13426(16) 0.5959(4) 0.0465(17) Uani 1 1 d .
H3A H 0.4628 0.1450 0.5537 0.070 Uiso 1 1 calc R
H3B H 0.5137 0.1311 0.6286 0.070 Uiso 1 1 calc R
H3C H 0.4403 0.1462 0.6195 0.070 Uiso 1 1 calc R
C4 C 0.4283(4) 0.08498(19) 0.6380(3) 0.053(2) Uani 1 1 d .
H4A H 0.4768 0.0785 0.6667 0.080 Uiso 1 1 calc R
H4B H 0.3978 0.0673 0.6208 0.080 Uiso 1 1 calc R
H4C H 0.4111 0.0974 0.6670 0.080 Uiso 1 1 calc R
C5 C 0.4496(3) 0.08532(15) 0.5205(3) 0.0336(14) Uani 1 1 d .
C6 C 0.4364(4) 0.05048(16) 0.5202(4) 0.0525(19) Uani 1 1 d .
H6A H 0.4429 0.0412 0.4801 0.079 Uiso 1 1 calc R
H6B H 0.3880 0.0468 0.5157 0.079 Uiso 1 1 calc R
H6C H 0.4699 0.0417 0.5647 0.079 Uiso 1 1 calc R
C7 C 0.5241(3) 0.09181(18) 0.5246(4) 0.0469(18) Uani 1 1 d .
H7A H 0.5270 0.1128 0.5119 0.070 Uiso 1 1 calc R
H7B H 0.5340 0.0786 0.4916 0.070 Uiso 1 1 calc R
H7C H 0.5589 0.0881 0.5731 0.070 Uiso 1 1 calc R
C8 C 0.2686(3) 0.11731(13) 0.3937(3) 0.0246(12) Uani 1 1 d .
C9 C 0.2270(3) 0.14158(13) 0.4031(3) 0.0269(13) Uani 1 1 d .
H9 H 0.2421 0.1514 0.4477 0.032 Uiso 1 1 calc R
C10 C 0.1646(3) 0.15089(13) 0.3472(3) 0.0271(13) Uani 1 1 d .
H10 H 0.1373 0.1667 0.3541 0.032 Uiso 1 1 calc R
C11 C 0.1423(3) 0.13639(13) 0.2794(3) 0.0262(12) Uani 1 1 d .
C12 C 0.1829(3) 0.11219(13) 0.2703(3) 0.0276(13) Uani 1 1 d .
H12 H 0.1678 0.1024 0.2257 0.033 Uiso 1 1 calc R
C13 C 0.2454(3) 0.10267(13) 0.3269(3) 0.0291(13) Uani 1 1 d .
H13 H 0.2719 0.0865 0.3203 0.035 Uiso 1 1 calc R
C14 C 0.0371(3) 0.16793(15) 0.2298(3) 0.0354(14) Uani 1 1 d .
H14A H 0.0282 0.1636 0.2726 0.042 Uiso 1 1 calc R
H14B H -0.0091 0.1676 0.1884 0.042 Uiso 1 1 calc R
C15 C 0.0685(3) 0.19935(14) 0.2367(3) 0.0325(14) Uani 1 1 d .
C16 C 0.0583(4) 0.22105(16) 0.2820(3) 0.0429(16) Uani 1 1 d .
H16 H 0.0325 0.2159 0.3095 0.051 Uiso 1 1 calc R
C17 C 0.0861(4) 0.24997(17) 0.2865(4) 0.054(2) Uani 1 1 d .
H17 H 0.0775 0.2643 0.3161 0.065 Uiso 1 1 calc R
C18 C 0.1263(4) 0.25837(16) 0.2483(4) 0.055(2) Uani 1 1 d .
H18 H 0.1459 0.2779 0.2529 0.066 Uiso 1 1 calc R
C19 C 0.1368(4) 0.23669(15) 0.2026(4) 0.0450(17) Uani 1 1 d .
H19 H 0.1623 0.2419 0.1748 0.054 Uiso 1 1 calc R
C20 C 0.1096(3) 0.20776(14) 0.1988(3) 0.0371(15) Uani 1 1 d .
H20 H 0.1188 0.1933 0.1698 0.044 Uiso 1 1 calc R
C21 C 0.3312(4) 0.01987(16) 0.2573(4) 0.052(2) Uani 1 1 d .
C22 C 0.3973(4) 0.04065(14) 0.2787(3) 0.0357(15) Uani 1 1 d .
C23 C 0.4651(4) 0.02847(14) 0.3183(3) 0.0436(17) Uani 1 1 d .
H23 H 0.4694 0.0074 0.3256 0.052 Uiso 1 1 calc R
C24 C 0.5268(4) 0.04650(13) 0.3477(3) 0.0330(14) Uani 1 1 d .
C25 C 0.6016(5) 0.03127(16) 0.3874(4) 0.054(2) Uani 1 1 d .
C26 C 0.2535(4) 0.16940(16) 0.1288(3) 0.0427(17) Uani 1 1 d .
C27 C 0.3010(3) 0.16167(14) 0.2068(3) 0.0310(13) Uani 1 1 d .
C28 C 0.3048(3) 0.18177(13) 0.2610(3) 0.0300(13) Uani 1 1 d .
H28 H 0.2761 0.1993 0.2487 0.036 Uiso 1 1 calc R
C29 C 0.3499(3) 0.17689(12) 0.3335(3) 0.0261(12) Uani 1 1 d .
C30 C 0.3497(3) 0.20114(15) 0.3884(3) 0.0378(15) Uani 1 1 d .
C31 C 0.6261(4) 0.17125(16) 0.4871(4) 0.0439(17) Uani 1 1 d .
C32 C 0.5696(3) 0.16713(13) 0.4099(3) 0.0299(13) Uani 1 1 d .
C33 C 0.5508(3) 0.19211(14) 0.3632(3) 0.0361(15) Uani 1 1 d .
H33 H 0.5714 0.2111 0.3805 0.043 Uiso 1 1 calc R
C34 C 0.5022(3) 0.18949(12) 0.2917(3) 0.0294(13) Uani 1 1 d .
C35 C 0.4845(4) 0.21815(14) 0.2442(4) 0.0484(19) Uani 1 1 d .
C36 C 0.5447(3) 0.13171(12) 0.1511(3) 0.0219(11) Uani 1 1 d .
C37 C 0.4613(3) 0.12305(14) 0.0304(3) 0.0269(13) Uani 1 1 d .
C38 C 0.4101(3) 0.15014(15) 0.0105(3) 0.0388(15) Uani 1 1 d .
H38A H 0.4265 0.1653 -0.0139 0.058 Uiso 1 1 calc R
H38B H 0.4089 0.1588 0.0537 0.058 Uiso 1 1 calc R
H38C H 0.3626 0.1434 -0.0209 0.058 Uiso 1 1 calc R
C39 C 0.4673(4) 0.10962(16) -0.0370(3) 0.0409(17) Uani 1 1 d .
H39A H 0.5081 0.0961 -0.0226 0.061 Uiso 1 1 calc R
H39B H 0.4735 0.1259 -0.0660 0.061 Uiso 1 1 calc R
H39C H 0.4242 0.0984 -0.0648 0.061 Uiso 1 1 calc R
C40 C 0.4481(3) 0.09947(13) 0.0804(3) 0.0261(12) Uani 1 1 d .
C41 C 0.3705(3) 0.09582(14) 0.0715(3) 0.0354(15) Uani 1 1 d .
H41A H 0.3530 0.1150 0.0812 0.053 Uiso 1 1 calc R
H41B H 0.3681 0.0806 0.1049 0.053 Uiso 1 1 calc R
H41C H 0.3413 0.0895 0.0229 0.053 Uiso 1 1 calc R
C42 C 0.4823(3) 0.06790(13) 0.0811(3) 0.0358(15) Uani 1 1 d .
H42A H 0.4851 0.0566 0.1231 0.054 Uiso 1 1 calc R
H42B H 0.5299 0.0706 0.0826 0.054 Uiso 1 1 calc R
H42C H 0.4532 0.0568 0.0382 0.054 Uiso 1 1 calc R
C43 C 0.6016(3) 0.14643(12) 0.2125(3) 0.0224(12) Uani 1 1 d .
C44 C 0.6216(3) 0.17612(12) 0.2052(3) 0.0237(12) Uani 1 1 d .
H44 H 0.6002 0.1859 0.1606 0.028 Uiso 1 1 calc R
C45 C 0.6727(3) 0.19154(12) 0.2630(3) 0.0243(12) Uani 1 1 d .
H45 H 0.6850 0.2116 0.2575 0.029 Uiso 1 1 calc R
C46 C 0.7054(3) 0.17684(12) 0.3291(3) 0.0257(12) Uani 1 1 d .
C47 C 0.6874(3) 0.14670(12) 0.3382(3) 0.0257(12) Uani 1 1 d .
H47 H 0.7104 0.1368 0.3825 0.031 Uiso 1 1 calc R
C48 C 0.6345(3) 0.13158(13) 0.2803(3) 0.0237(12) Uani 1 1 d .
H48 H 0.6208 0.1118 0.2862 0.028 Uiso 1 1 calc R
C49 C 0.7690(3) 0.22254(12) 0.3847(3) 0.0324(14) Uani 1 1 d .
H49A H 0.7245 0.2340 0.3717 0.039 Uiso 1 1 calc R
H49B H 0.7870 0.2258 0.3474 0.039 Uiso 1 1 calc R
C50 C 0.8236(3) 0.23326(12) 0.4566(3) 0.0282(13) Uani 1 1 d .
C51 C 0.8027(4) 0.24233(14) 0.5109(3) 0.0365(14) Uani 1 1 d .
H51 H 0.7544 0.2412 0.5034 0.044 Uiso 1 1 calc R
C52 C 0.8526(4) 0.25307(15) 0.5762(3) 0.0486(18) Uani 1 1 d .
H52 H 0.8375 0.2589 0.6122 0.058 Uiso 1 1 calc R
C53 C 0.9246(4) 0.25521(15) 0.5887(4) 0.053(2) Uani 1 1 d .
H53 H 0.9579 0.2629 0.6325 0.063 Uiso 1 1 calc R
C54 C 0.9466(4) 0.24570(15) 0.5347(4) 0.0461(17) Uani 1 1 d .
H54 H 0.9950 0.2466 0.5424 0.055 Uiso 1 1 calc R
C55 C 0.8957(3) 0.23487(14) 0.4694(3) 0.0384(15) Uani 1 1 d .
H55 H 0.9105 0.2286 0.4335 0.046 Uiso 1 1 calc R
C56 C 0.7284(4) 0.07479(13) 0.2172(3) 0.0337(14) Uani 1 1 d .
C57 C 0.7325(3) 0.10437(13) 0.1780(3) 0.0261(13) Uani 1 1 d .
C58 C 0.7777(3) 0.12794(13) 0.2180(3) 0.0286(13) Uani 1 1 d .
H58 H 0.8077 0.1247 0.2664 0.034 Uiso 1 1 calc R
C59 C 0.7785(3) 0.15614(13) 0.1863(3) 0.0252(12) Uani 1 1 d .
C60 C 0.8327(3) 0.18052(15) 0.2318(3) 0.0366(15) Uani 1 1 d .
C61 C 0.5977(3) 0.08961(13) -0.1535(3) 0.0316(14) Uani 1 1 d .
C62 C 0.6171(3) 0.11660(13) -0.1009(3) 0.0250(12) Uani 1 1 d .
C63 C 0.5970(3) 0.14591(13) -0.1295(3) 0.0267(12) Uani 1 1 d .
H63 H 0.5706 0.1482 -0.1791 0.032 Uiso 1 1 calc R
C64 C 0.6158(3) 0.17185(13) -0.0854(3) 0.0250(12) Uani 1 1 d .
C65 C 0.5871(3) 0.20235(13) -0.1211(3) 0.0324(14) Uani 1 1 d .
C66 C -0.1714(3) 0.10825(12) 0.9570(3) 0.0210(11) Uani 1 1 d .
C67 C -0.1228(3) 0.05917(11) 0.9991(3) 0.0228(12) Uani 1 1 d .
C68 C -0.1873(3) 0.03741(13) 0.9727(3) 0.0338(14) Uani 1 1 d .
H68A H -0.1950 0.0298 0.9255 0.051 Uiso 1 1 calc R
H68B H -0.2296 0.0482 0.9703 0.051 Uiso 1 1 calc R
H68C H -0.1780 0.0206 1.0059 0.051 Uiso 1 1 calc R
C69 C -0.0548(3) 0.04203(13) 1.0053(3) 0.0309(13) Uani 1 1 d .
H69A H -0.0157 0.0563 1.0162 0.046 Uiso 1 1 calc R
H69B H -0.0634 0.0320 0.9602 0.046 Uiso 1 1 calc R
H69C H -0.0425 0.0271 1.0432 0.046 Uiso 1 1 calc R
C70 C -0.1154(3) 0.07928(12) 1.0655(3) 0.0219(11) Uani 1 1 d .
C71 C -0.1427(3) 0.06426(14) 1.1171(3) 0.0343(14) Uani 1 1 d .
H71A H -0.1917 0.0578 1.0909 0.051 Uiso 1 1 calc R
H71B H -0.1406 0.0787 1.1539 0.051 Uiso 1 1 calc R
H71C H -0.1132 0.0468 1.1393 0.051 Uiso 1 1 calc R
C72 C -0.0405(3) 0.09241(14) 1.1050(3) 0.0342(14) Uani 1 1 d .
H72A H -0.0415 0.1076 1.1391 0.051 Uiso 1 1 calc R
H72B H -0.0248 0.1017 1.0707 0.051 Uiso 1 1 calc R
H72C H -0.0078 0.0763 1.1303 0.051 Uiso 1 1 calc R
C73 C -0.2083(3) 0.13277(12) 0.9060(3) 0.0206(11) Uani 1 1 d .
C74 C -0.2448(3) 0.12576(12) 0.8328(3) 0.0197(11) Uani 1 1 d .
H74 H -0.2465 0.1055 0.8176 0.024 Uiso 1 1 calc R
C75 C -0.2789(3) 0.14837(12) 0.7819(3) 0.0225(12) Uani 1 1 d .
H75 H -0.3032 0.1435 0.7332 0.027 Uiso 1 1 calc R
C76 C -0.2759(3) 0.17870(12) 0.8056(3) 0.0230(12) Uani 1 1 d .
C77 C -0.2395(3) 0.18576(12) 0.8791(3) 0.0245(12) Uani 1 1 d .
H77 H -0.2374 0.2060 0.8945 0.029 Uiso 1 1 calc R
C78 C -0.2068(3) 0.16309(12) 0.9286(3) 0.0213(11) Uani 1 1 d .
H78 H -0.1836 0.1680 0.9775 0.026 Uiso 1 1 calc R
C79 C -0.3502(3) 0.19457(12) 0.6863(3) 0.0295(13) Uani 1 1 d .
H79A H -0.3890 0.1812 0.6846 0.035 Uiso 1 1 calc R
H79B H -0.3211 0.1836 0.6658 0.035 Uiso 1 1 calc R
C80 C -0.3809(3) 0.22267(12) 0.6428(3) 0.0258(12) Uani 1 1 d .
C81 C -0.4551(4) 0.22661(14) 0.6098(3) 0.0415(16) Uani 1 1 d .
H81 H -0.4856 0.2126 0.6181 0.050 Uiso 1 1 calc R
C82 C -0.4840(4) 0.25172(16) 0.5642(3) 0.0514(19) Uani 1 1 d .
H82 H -0.5337 0.2546 0.5420 0.062 Uiso 1 1 calc R
C83 C -0.4377(5) 0.27235(14) 0.5524(4) 0.051(2) Uani 1 1 d .
H83 H -0.4569 0.2890 0.5217 0.061 Uiso 1 1 calc R
C84 C -0.3641(4) 0.26878(14) 0.5850(3) 0.0412(16) Uani 1 1 d .
H84 H -0.3336 0.2827 0.5765 0.049 Uiso 1 1 calc R
C85 C -0.3365(4) 0.24423(13) 0.6304(3) 0.0343(14) Uani 1 1 d .
H85 H -0.2867 0.2419 0.6535 0.041 Uiso 1 1 calc R
C86 C -0.0881(4) -0.00749(15) 0.7727(4) 0.0496(18) Uani 1 1 d .
C87 C -0.1116(3) 0.02622(12) 0.7614(3) 0.0241(12) Uani 1 1 d .
C88 C -0.1834(3) 0.03229(12) 0.7142(3) 0.0256(12) Uani 1 1 d .
H88 H -0.2137 0.0161 0.6907 0.031 Uiso 1 1 calc R
C89 C -0.2099(3) 0.06201(12) 0.7022(3) 0.0213(11) Uani 1 1 d .
C90 C -0.2888(3) 0.06696(14) 0.6479(3) 0.0308(13) Uani 1 1 d .
C91 C 0.1472(3) 0.06996(14) 1.0265(3) 0.0335(14) Uani 1 1 d .
C92 C 0.1065(3) 0.08814(13) 0.9578(3) 0.0252(12) Uani 1 1 d .
C93 C 0.1417(3) 0.11379(12) 0.9451(3) 0.0270(13) Uani 1 1 d .
H93 H 0.1886 0.1183 0.9773 0.032 Uiso 1 1 calc R
C94 C 0.1073(3) 0.13260(12) 0.8847(3) 0.0231(12) Uani 1 1 d .
C95 C 0.1491(3) 0.16118(13) 0.8788(3) 0.0304(13) Uani 1 1 d .
C96 C 0.0087(3) 0.16998(13) 1.0163(3) 0.0336(14) Uani 1 1 d .
C97 C -0.0312(3) 0.16027(13) 0.9365(3) 0.0254(12) Uani 1 1 d .
C98 C -0.0537(3) 0.18318(13) 0.8846(3) 0.0280(13) Uani 1 1 d .
H98 H -0.0425 0.2035 0.8990 0.034 Uiso 1 1 calc R
C99 C -0.0925(3) 0.17663(13) 0.8116(3) 0.0273(13) Uani 1 1 d .
C100 C -0.1195(3) 0.20405(13) 0.7596(3) 0.0331(14) Uani 1 1 d .
C101 C 0.0507(3) 0.10792(13) 0.6810(3) 0.0240(12) Uani 1 1 d .
C102 C -0.0080(3) 0.14528(14) 0.5906(3) 0.0298(13) Uani 1 1 d .
C103 C 0.0002(4) 0.17503(14) 0.6328(3) 0.0404(16) Uani 1 1 d .
H10A H 0.0416 0.1860 0.6337 0.061 Uiso 1 1 calc R
H10B H 0.0065 0.1704 0.6816 0.061 Uiso 1 1 calc R
H10C H -0.0422 0.1874 0.6099 0.061 Uiso 1 1 calc R
C104 C -0.0153(4) 0.15170(15) 0.5139(3) 0.0420(16) Uani 1 1 d .
H10D H -0.0108 0.1329 0.4915 0.063 Uiso 1 1 calc R
H10E H 0.0219 0.1656 0.5153 0.063 Uiso 1 1 calc R
H10F H -0.0617 0.1607 0.4864 0.063 Uiso 1 1 calc R
C105 C -0.0657(3) 0.12297(14) 0.5970(3) 0.0304(13) Uani 1 1 d .
C106 C -0.0893(4) 0.09773(16) 0.5409(3) 0.0455(17) Uani 1 1 d .
H10G H -0.1158 0.0825 0.5546 0.068 Uiso 1 1 calc R
H10H H -0.0477 0.0884 0.5379 0.068 Uiso 1 1 calc R
H10I H -0.1196 0.1062 0.4946 0.068 Uiso 1 1 calc R
C107 C -0.1303(3) 0.13889(16) 0.6027(3) 0.0415(16) Uani 1 1 d .
H10J H -0.1136 0.1534 0.6417 0.062 Uiso 1 1 calc R
H10K H -0.1603 0.1239 0.6118 0.062 Uiso 1 1 calc R
H10L H -0.1576 0.1494 0.5581 0.062 Uiso 1 1 calc R
C108 C 0.1073(3) 0.09137(13) 0.7383(3) 0.0238(12) Uani 1 1 d .
C109 C 0.0923(3) 0.06395(13) 0.7646(3) 0.0279(13) Uani 1 1 d .
H109 H 0.0456 0.0562 0.7450 0.033 Uiso 1 1 calc R
C110 C 0.1461(3) 0.04810(13) 0.8197(3) 0.0296(13) Uani 1 1 d .
H110 H 0.1355 0.0295 0.8359 0.036 Uiso 1 1 calc R
C111 C 0.2154(3) 0.05985(13) 0.8509(3) 0.0272(12) Uani 1 1 d .
C112 C 0.2314(3) 0.08769(13) 0.8254(3) 0.0266(12) Uani 1 1 d .
H112 H 0.2779 0.0956 0.8461 0.032 Uiso 1 1 calc R
C113 C 0.1786(3) 0.10318(12) 0.7699(3) 0.0239(12) Uani 1 1 d .
H113 H 0.1896 0.1215 0.7531 0.029 Uiso 1 1 calc R
C114 C 0.2598(3) 0.01620(14) 0.9267(3) 0.0363(15) Uani 1 1 d .
H11A H 0.2465 0.0022 0.8859 0.044 Uiso 1 1 calc R
H11B H 0.2208 0.0168 0.9429 0.044 Uiso 1 1 calc R
C115 C 0.3282(3) 0.00551(13) 0.9872(3) 0.0307(13) Uani 1 1 d .
C116 C 0.3395(3) 0.01145(13) 1.0586(3) 0.0325(14) Uani 1 1 d .
H116 H 0.3043 0.0217 1.0685 0.039 Uiso 1 1 calc R
C117 C 0.4021(3) 0.00234(14) 1.1147(3) 0.0365(15) Uani 1 1 d .
H117 H 0.4092 0.0064 1.1623 0.044 Uiso 1 1 calc R
C118 C 0.4544(3) -0.01280(13) 1.1001(4) 0.0389(15) Uani 1 1 d .
H118 H 0.4969 -0.0189 1.1380 0.047 Uiso 1 1 calc R
C119 C 0.4442(4) -0.01892(16) 1.0305(4) 0.0484(18) Uani 1 1 d .
H119 H 0.4798 -0.0291 1.0210 0.058 Uiso 1 1 calc R
C120 C 0.3804(4) -0.00997(16) 0.9733(4) 0.0468(17) Uani 1 1 d .
H120 H 0.3732 -0.0145 0.9258 0.056 Uiso 1 1 calc R
C121 C 0.0806(4) 0.02026(17) 0.6059(4) 0.0514(18) Uani 1 1 d .
C122 C 0.1446(3) 0.04241(14) 0.6273(3) 0.0334(14) Uani 1 1 d .
C123 C 0.2113(3) 0.03254(14) 0.6784(3) 0.0326(14) Uani 1 1 d .
H123 H 0.2144 0.0134 0.6997 0.039 Uiso 1 1 calc R
C124 C 0.2732(3) 0.05031(14) 0.6987(3) 0.0305(13) Uani 1 1 d .
C125 C 0.3432(3) 0.03767(15) 0.7577(3) 0.0368(15) Uani 1 1 d .
C126 C 0.2084(4) 0.01785(19) 0.4596(4) 0.058(2) Uani 1 1 d .
C127 C 0.1770(4) 0.04945(16) 0.4646(3) 0.0402(16) Uani 1 1 d .
C128 C 0.1069(3) 0.05633(16) 0.4165(3) 0.0417(16) Uani 1 1 d .
H128 H 0.0807 0.0417 0.3827 0.050 Uiso 1 1 calc R
C129 C 0.0747(3) 0.08414(15) 0.4174(3) 0.0333(14) Uani 1 1 d .
C130 C 0.0002(4) 0.09012(18) 0.3596(4) 0.0480(17) Uani 1 1 d U
C131 C 0.3369(6) 0.1794(2) 0.7666(5) 0.077(3) Uani 1 1 d .
C132 C 0.2844(4) 0.17123(17) 0.6905(4) 0.0456(17) Uani 1 1 d .
C133 C 0.2541(4) 0.19470(16) 0.6417(4) 0.0528(19) Uani 1 1 d .
H133 H 0.2655 0.2149 0.6571 0.063 Uiso 1 1 calc R
C134 C 0.2070(4) 0.18913(15) 0.5704(3) 0.0385(15) Uani 1 1 d .
C135 C 0.1746(5) 0.21633(18) 0.5187(4) 0.059(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'
Cu Cu 0.3201 1.2651 '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'
N N 0.0061 0.0033 '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'
Pr Pr -0.2180 2.8214 '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
O6 Pr1 O8 133.47(13) .
O6 Pr1 O10 91.45(13) .
O8 Pr1 O10 104.17(13) .
O6 Pr1 O5 149.32(13) .
O8 Pr1 O5 76.46(13) .
O10 Pr1 O5 71.11(13) .
O6 Pr1 O9 72.13(13) .
O8 Pr1 O9 70.23(13) .
O10 Pr1 O9 75.16(12) .
O5 Pr1 O9 124.08(13) .
O6 Pr1 O4 81.12(13) .
O8 Pr1 O4 144.39(13) .
O10 Pr1 O4 78.84(12) .
O5 Pr1 O4 71.03(14) .
O9 Pr1 O4 141.78(12) .
O6 Pr1 O7 71.10(12) .
O8 Pr1 O7 73.58(13) .
O10 Pr1 O7 148.95(13) .
O5 Pr1 O7 134.97(12) .
O9 Pr1 O7 75.08(12) .
O4 Pr1 O7 121.48(13) .
O6 Pr1 O3 102.39(12) .
O8 Pr1 O3 93.35(12) .
O10 Pr1 O3 139.73(12) .
O5 Pr1 O3 78.45(12) .
O9 Pr1 O3 145.07(12) .
O4 Pr1 O3 66.52(12) .
O7 Pr1 O3 70.66(12) .
O21 Pr2 O22 143.99(12) .
O21 Pr2 O19 71.32(11) .
O22 Pr2 O19 88.45(12) .
O21 Pr2 O24 125.53(12) .
O22 Pr2 O24 73.38(12) .
O19 Pr2 O24 74.22(12) .
O21 Pr2 O20 71.58(12) .
O22 Pr2 O20 74.84(12) .
O19 Pr2 O20 76.10(11) .
O24 Pr2 O20 136.57(12) .
O21 Pr2 O25 80.68(12) .
O22 Pr2 O25 134.70(12) .
O19 Pr2 O25 106.94(12) .
O24 Pr2 O25 70.64(12) .
O20 Pr2 O25 149.59(12) .
O21 Pr2 O23 139.31(12) .
O22 Pr2 O23 70.69(12) .
O19 Pr2 O23 146.59(12) .
O24 Pr2 O23 74.90(12) .
O20 Pr2 O23 120.39(12) .
O25 Pr2 O23 74.06(12) .
O21 Pr2 O26 71.97(12) .
O22 Pr2 O26 110.42(12) .
O19 Pr2 O26 137.99(12) .
O24 Pr2 O26 146.16(12) .
O20 Pr2 O26 73.53(12) .
O25 Pr2 O26 86.40(12) .
O23 Pr2 O26 75.06(12) .
O30 Pr3 O2 88.60(13) .
O30 Pr3 O32 138.44(14) .
O2 Pr3 O32 105.95(13) .
O30 Pr3 O31 77.14(14) .
O2 Pr3 O31 72.86(15) .
O32 Pr3 O31 70.81(14) .
O30 Pr3 O33 73.98(14) .
O2 Pr3 O33 77.28(13) .
O32 Pr3 O33 146.57(14) .
O31 Pr3 O33 138.53(14) .
O30 Pr3 O34 143.13(14) .
O2 Pr3 O34 75.12(13) .
O32 Pr3 O34 78.35(14) .
O31 Pr3 O34 126.43(13) .
O33 Pr3 O34 70.28(14) .
O30 Pr3 O29 70.42(13) .
O2 Pr3 O29 143.82(14) .
O32 Pr3 O29 75.69(13) .
O31 Pr3 O29 73.87(14) .
O33 Pr3 O29 121.59(13) .
O34 Pr3 O29 138.14(13) .
O30 Pr3 O28 104.81(12) .
O2 Pr3 O28 142.34(14) .
O32 Pr3 O28 87.23(13) .
O31 Pr3 O28 143.97(14) .
O33 Pr3 O28 73.16(13) .
O34 Pr3 O28 73.30(12) .
O29 Pr3 O28 73.18(13) .
O14 Cu1 O15 165.07(16) .
O14 Cu1 O13 93.30(16) .
O15 Cu1 O13 89.21(15) .
O14 Cu1 O16 87.80(16) .
O15 Cu1 O16 93.18(16) .
O13 Cu1 O16 166.54(15) .
O14 Cu1 O12 93.86(14) .
O15 Cu1 O12 100.97(15) .
O13 Cu1 O12 87.11(14) .
O16 Cu1 O12 79.43(14) .
O14 Cu1 O17 77.10(14) 1_654
O15 Cu1 O17 88.36(14) 1_654
O13 Cu1 O17 86.80(14) 1_654
O16 Cu1 O17 106.50(14) 1_654
O12 Cu1 O17 168.78(12) 1_654
C11 O1 C14 117.5(4) .
N1 O2 Pr3 143.8(4) .
N2 O3 Pr1 140.1(3) .
C22 O4 Pr1 132.4(4) .
C24 O5 Pr1 135.2(4) .
C27 O6 Pr1 132.3(4) .
C29 O7 Pr1 132.0(3) .
C32 O8 Pr1 135.2(4) .
C34 O9 Pr1 133.7(4) .
N3 O10 Pr1 145.0(3) .
C46 O11 C49 115.8(4) .
N4 O12 Cu1 131.2(3) .
C57 O13 Cu1 124.1(4) .
C59 O14 Cu1 124.0(4) .
C62 O15 Cu1 124.1(3) .
C64 O16 Cu1 124.2(3) .
N5 O17 Cu1 131.4(3) 1_456
C76 O18 C79 115.8(4) .
N6 O19 Pr2 134.6(3) .
C87 O20 Pr2 134.2(3) .
C89 O21 Pr2 134.5(3) .
C92 O22 Pr2 135.0(3) .
C94 O23 Pr2 133.8(3) .
C97 O24 Pr2 132.2(3) .
C99 O25 Pr2 133.2(3) .
N7 O26 Pr2 138.9(3) .
C111 O27 C114 116.0(4) .
N8 O28 Pr3 140.7(3) .
C122 O29 Pr3 134.2(4) .
C124 O30 Pr3 136.5(4) .
C127 O31 Pr3 131.9(4) .
C129 O32 Pr3 133.1(4) .
C132 O33 Pr3 136.5(4) .
C134 O34 Pr3 135.1(4) .
O2 N1 C1 126.1(5) .
O2 N1 C2 119.8(4) .
C1 N1 C2 113.5(4) .
O3 N2 C1 126.3(5) .
O3 N2 C5 120.2(4) .
C1 N2 C5 112.8(4) .
O10 N3 C36 125.8(4) .
O10 N3 C40 120.8(4) .
C36 N3 C40 112.8(4) .
O12 N4 C36 125.4(4) .
O12 N4 C37 122.0(4) .
C36 N4 C37 112.0(4) .
O17 N5 C66 125.2(4) .
O17 N5 C70 122.1(4) .
C66 N5 C70 112.2(4) .
O19 N6 C66 126.4(4) .
O19 N6 C67 120.6(4) .
C66 N6 C67 112.4(4) .
O26 N7 C101 126.2(5) .
O26 N7 C105 120.0(4) .
C101 N7 C105 113.3(4) .
O28 N8 C101 125.2(5) .
O28 N8 C102 121.6(4) .
C101 N8 C102 112.4(4) .
N1 C1 N2 107.1(5) .
N1 C1 C8 126.9(5) .
N2 C1 C8 126.1(5) .
N1 C2 C3 105.7(5) .
N1 C2 C4 108.8(5) .
C3 C2 C4 112.6(6) .
N1 C2 C5 100.2(4) .
C3 C2 C5 114.3(5) .
C4 C2 C5 114.1(6) .
C2 C3 H3A 109.5 .
C2 C3 H3B 109.5 .
H3A C3 H3B 109.5 .
C2 C3 H3C 109.5 .
H3A C3 H3C 109.5 .
H3B C3 H3C 109.5 .
C2 C4 H4A 109.5 .
C2 C4 H4B 109.5 .
H4A C4 H4B 109.5 .
C2 C4 H4C 109.5 .
H4A C4 H4C 109.5 .
H4B C4 H4C 109.5 .
C7 C5 N2 109.0(4) .
C7 C5 C2 115.7(6) .
N2 C5 C2 100.6(4) .
C7 C5 C6 110.8(5) .
N2 C5 C6 105.3(5) .
C2 C5 C6 114.3(5) .
C5 C6 H6A 109.5 .
C5 C6 H6B 109.5 .
H6A C6 H6B 109.5 .
C5 C6 H6C 109.5 .
H6A C6 H6C 109.5 .
H6B C6 H6C 109.5 .
C5 C7 H7A 109.5 .
C5 C7 H7B 109.5 .
H7A C7 H7B 109.5 .
C5 C7 H7C 109.5 .
H7A C7 H7C 109.5 .
H7B C7 H7C 109.5 .
C13 C8 C9 119.1(5) .
C13 C8 C1 121.9(5) .
C9 C8 C1 118.9(5) .
C10 C9 C8 120.9(5) .
C10 C9 H9 119.5 .
C8 C9 H9 119.5 .
C9 C10 C11 119.6(5) .
C9 C10 H10 120.2 .
C11 C10 H10 120.2 .
O1 C11 C12 116.3(5) .
O1 C11 C10 124.1(5) .
C12 C11 C10 119.6(5) .
C13 C12 C11 120.7(5) .
C13 C12 H12 119.7 .
C11 C12 H12 119.7 .
C12 C13 C8 120.1(5) .
C12 C13 H13 120.0 .
C8 C13 H13 120.0 .
O1 C14 C15 114.2(5) .
O1 C14 H14A 108.7 .
C15 C14 H14A 108.7 .
O1 C14 H14B 108.7 .
C15 C14 H14B 108.7 .
H14A C14 H14B 107.6 .
C16 C15 C20 117.7(6) .
C16 C15 C14 121.1(6) .
C20 C15 C14 121.3(5) .
C17 C16 C15 120.4(6) .
C17 C16 H16 119.8 .
C15 C16 H16 119.8 .
C16 C17 C18 121.9(6) .
C16 C17 H17 119.1 .
C18 C17 H17 119.1 .
C17 C18 C19 118.1(7) .
C17 C18 H18 120.9 .
C19 C18 H18 120.9 .
C20 C19 C18 119.8(7) .
C20 C19 H19 120.1 .
C18 C19 H19 120.1 .
C19 C20 C15 122.1(6) .
C19 C20 H20 119.0 .
C15 C20 H20 119.0 .
F3 C21 F1 107.4(7) .
F3 C21 F2 106.9(6) .
F1 C21 F2 106.3(5) .
F3 C21 C22 113.4(5) .
F1 C21 C22 109.1(5) .
F2 C21 C22 113.4(7) .
O4 C22 C23 128.3(6) .
O4 C22 C21 112.5(6) .
C23 C22 C21 119.1(6) .
C22 C23 C24 122.7(6) .
C22 C23 H23 118.7 .
C24 C23 H23 118.7 .
O5 C24 C23 127.4(6) .
O5 C24 C25 112.5(6) .
C23 C24 C25 120.1(6) .
F4 C25 F6 109.8(9) .
F4 C25 F5 108.8(6) .
F6 C25 F5 103.7(6) .
F4 C25 C24 111.7(5) .
F6 C25 C24 110.3(5) .
F5 C25 C24 112.2(7) .
F7 C26 F9 107.1(6) .
F7 C26 F8 107.0(6) .
F9 C26 F8 105.9(6) .
F7 C26 C27 111.1(5) .
F9 C26 C27 114.7(5) .
F8 C26 C27 110.6(6) .
O6 C27 C28 127.4(6) .
O6 C27 C26 113.2(5) .
C28 C27 C26 119.4(6) .
C27 C28 C29 122.6(5) .
C27 C28 H28 118.7 .
C29 C28 H28 118.7 .
O7 C29 C28 127.6(5) .
O7 C29 C30 114.9(5) .
C28 C29 C30 117.4(5) .
F10 C30 F12 108.1(6) .
F10 C30 F11 106.8(5) .
F12 C30 F11 106.0(5) .
F10 C30 C29 110.8(5) .
F12 C30 C29 113.2(5) .
F11 C30 C29 111.7(5) .
F14 C31 F13 107.4(5) .
F14 C31 F15 107.4(6) .
F13 C31 F15 106.4(6) .
F14 C31 C32 114.3(6) .
F13 C31 C32 110.2(5) .
F15 C31 C32 110.8(5) .
O8 C32 C33 127.6(6) .
O8 C32 C31 113.3(5) .
C33 C32 C31 119.1(5) .
C34 C33 C32 121.8(5) .
C34 C33 H33 119.1 .
C32 C33 H33 119.1 .
O9 C34 C33 127.4(5) .
O9 C34 C35 114.3(6) .
C33 C34 C35 118.3(6) .
F16 C35 F18 108.7(7) .
F16 C35 F17 106.7(6) .
F18 C35 F17 106.0(5) .
F16 C35 C34 110.6(5) .
F18 C35 C34 112.2(5) .
F17 C35 C34 112.4(6) .
N3 C36 N4 107.1(5) .
N3 C36 C43 127.1(5) .
N4 C36 C43 125.8(5) .
N4 C37 C38 106.1(5) .
N4 C37 C39 109.2(4) .
C38 C37 C39 110.8(5) .
N4 C37 C40 100.2(4) .
C38 C37 C40 114.4(4) .
C39 C37 C40 115.1(5) .
C37 C38 H38A 109.5 .
C37 C38 H38B 109.5 .
H38A C38 H38B 109.5 .
C37 C38 H38C 109.5 .
H38A C38 H38C 109.5 .
H38B C38 H38C 109.5 .
C37 C39 H39A 109.5 .
C37 C39 H39B 109.5 .
H39A C39 H39B 109.5 .
C37 C39 H39C 109.5 .
H39A C39 H39C 109.5 .
H39B C39 H39C 109.5 .
N3 C40 C41 110.4(4) .
N3 C40 C37 100.2(4) .
C41 C40 C37 116.1(5) .
N3 C40 C42 104.6(5) .
C41 C40 C42 110.4(5) .
C37 C40 C42 114.1(4) .
C40 C41 H41A 109.5 .
C40 C41 H41B 109.5 .
H41A C41 H41B 109.5 .
C40 C41 H41C 109.5 .
H41A C41 H41C 109.5 .
H41B C41 H41C 109.5 .
C40 C42 H42A 109.5 .
C40 C42 H42B 109.5 .
H42A C42 H42B 109.5 .
C40 C42 H42C 109.5 .
H42A C42 H42C 109.5 .
H42B C42 H42C 109.5 .
C44 C43 C48 119.2(5) .
C44 C43 C36 119.2(5) .
C48 C43 C36 121.5(5) .
C43 C44 C45 121.2(5) .
C43 C44 H44 119.4 .
C45 C44 H44 119.4 .
C44 C45 C46 119.5(5) .
C44 C45 H45 120.3 .
C46 C45 H45 120.3 .
O11 C46 C45 124.4(5) .
O11 C46 C47 114.8(5) .
C45 C46 C47 120.9(5) .
C48 C47 C46 119.4(5) .
C48 C47 H47 120.3 .
C46 C47 H47 120.3 .
C47 C48 C43 119.8(5) .
C47 C48 H48 120.1 .
C43 C48 H48 120.1 .
O11 C49 C50 108.4(4) .
O11 C49 H49A 110.0 .
C50 C49 H49A 110.0 .
O11 C49 H49B 110.0 .
C50 C49 H49B 110.0 .
H49A C49 H49B 108.4 .
C55 C50 C51 118.5(6) .
C55 C50 C49 120.6(5) .
C51 C50 C49 120.9(6) .
C52 C51 C50 120.9(6) .
C52 C51 H51 119.5 .
C50 C51 H51 119.5 .
C51 C52 C53 120.8(6) .
C51 C52 H52 119.6 .
C53 C52 H52 119.6 .
C52 C53 C54 118.9(6) .
C52 C53 H53 120.5 .
C54 C53 H53 120.5 .
C55 C54 C53 119.5(7) .
C55 C54 H54 120.2 .
C53 C54 H54 120.2 .
C50 C55 C54 121.4(6) .
C50 C55 H55 119.3 .
C54 C55 H55 119.3 .
F21 C56 F19 107.0(5) .
F21 C56 F20 107.9(5) .
F19 C56 F20 105.9(4) .
F21 C56 C57 111.9(4) .
F19 C56 C57 110.9(5) .
F20 C56 C57 113.0(5) .
O13 C57 C58 128.2(5) .
O13 C57 C56 113.1(5) .
C58 C57 C56 118.7(5) .
C59 C58 C57 120.8(5) .
C59 C58 H58 119.6 .
C57 C58 H58 119.6 .
O14 C59 C58 128.7(5) .
O14 C59 C60 112.8(5) .
C58 C59 C60 118.4(5) .
F24 C60 F22 108.2(5) .
F24 C60 F23 106.3(5) .
F22 C60 F23 107.1(5) .
F24 C60 C59 110.0(5) .
F22 C60 C59 113.6(5) .
F23 C60 C59 111.4(5) .
F25 C61 F27 109.4(5) .
F25 C61 F26 107.8(5) .
F27 C61 F26 105.6(5) .
F25 C61 C62 113.0(5) .
F27 C61 C62 109.0(5) .
F26 C61 C62 111.8(5) .
O15 C62 C63 128.6(5) .
O15 C62 C61 113.4(5) .
C63 C62 C61 118.0(5) .
C64 C63 C62 121.4(5) .
C64 C63 H63 119.3 .
C62 C63 H63 119.3 .
O16 C64 C63 127.4(5) .
O16 C64 C65 115.4(5) .
C63 C64 C65 117.2(5) .
F29 C65 F28 107.4(5) .
F29 C65 F30 107.5(5) .
F28 C65 F30 106.8(5) .
F29 C65 C64 112.8(5) .
F28 C65 C64 109.6(5) .
F30 C65 C64 112.4(5) .
N6 C66 N5 107.6(4) .
N6 C66 C73 125.2(5) .
N5 C66 C73 127.2(5) .
N6 C67 C68 105.3(4) .
N6 C67 C69 109.9(4) .
C68 C67 C69 110.0(5) .
N6 C67 C70 99.9(4) .
C68 C67 C70 114.9(4) .
C69 C67 C70 115.8(5) .
C67 C68 H68A 109.5 .
C67 C68 H68B 109.5 .
H68A C68 H68B 109.5 .
C67 C68 H68C 109.5 .
H68A C68 H68C 109.5 .
H68B C68 H68C 109.5 .
C67 C69 H69A 109.5 .
C67 C69 H69B 109.5 .
H69A C69 H69B 109.5 .
C67 C69 H69C 109.5 .
H69A C69 H69C 109.5 .
H69B C69 H69C 109.5 .
N5 C70 C71 109.8(4) .
N5 C70 C72 107.1(4) .
C71 C70 C72 111.6(5) .
N5 C70 C67 99.7(4) .
C71 C70 C67 114.4(5) .
C72 C70 C67 113.3(4) .
C70 C71 H71A 109.5 .
C70 C71 H71B 109.5 .
H71A C71 H71B 109.5 .
C70 C71 H71C 109.5 .
H71A C71 H71C 109.5 .
H71B C71 H71C 109.5 .
C70 C72 H72A 109.5 .
C70 C72 H72B 109.5 .
H72A C72 H72B 109.5 .
C70 C72 H72C 109.5 .
H72A C72 H72C 109.5 .
H72B C72 H72C 109.5 .
C74 C73 C78 119.1(5) .
C74 C73 C66 119.2(5) .
C78 C73 C66 121.8(5) .
C75 C74 C73 121.3(5) .
C75 C74 H74 119.3 .
C73 C74 H74 119.3 .
C74 C75 C76 118.6(5) .
C74 C75 H75 120.7 .
C76 C75 H75 120.7 .
O18 C76 C77 116.6(5) .
O18 C76 C75 123.3(5) .
C77 C76 C75 120.1(5) .
C78 C77 C76 120.4(5) .
C78 C77 H77 119.8 .
C76 C77 H77 119.8 .
C77 C78 C73 120.4(5) .
C77 C78 H78 119.8 .
C73 C78 H78 119.8 .
O18 C79 C80 110.3(4) .
O18 C79 H79A 109.6 .
C80 C79 H79A 109.6 .
O18 C79 H79B 109.6 .
C80 C79 H79B 109.6 .
H79A C79 H79B 108.1 .
C81 C80 C85 119.0(5) .
C81 C80 C79 119.9(5) .
C85 C80 C79 121.0(5) .
C80 C81 C82 119.8(6) .
C80 C81 H81 120.1 .
C82 C81 H81 120.1 .
C83 C82 C81 119.2(7) .
C83 C82 H82 120.4 .
C81 C82 H82 120.4 .
C84 C83 C82 121.5(6) .
C84 C83 H83 119.3 .
C82 C83 H83 119.3 .
C85 C84 C83 118.6(6) .
C85 C84 H84 120.7 .
C83 C84 H84 120.7 .
C84 C85 C80 121.9(6) .
C84 C85 H85 119.1 .
C80 C85 H85 119.1 .
F33 C86 F32 106.5(6) .
F33 C86 F31 105.7(6) .
F32 C86 F31 107.8(7) .
F33 C86 C87 116.0(6) .
F32 C86 C87 110.5(6) .
F31 C86 C87 110.0(5) .
O20 C87 C88 129.0(5) .
O20 C87 C86 113.9(5) .
C88 C87 C86 117.1(5) .
C89 C88 C87 121.1(5) .
C89 C88 H88 119.4 .
C87 C88 H88 119.4 .
O21 C89 C88 129.1(5) .
O21 C89 C90 112.8(5) .
C88 C89 C90 118.1(5) .
F34 C90 F35 107.9(5) .
F34 C90 F36 108.0(5) .
F35 C90 F36 106.3(5) .
F34 C90 C89 111.2(5) .
F35 C90 C89 114.0(5) .
F36 C90 C89 109.2(4) .
F37 C91 F38 107.1(5) .
F37 C91 F39 107.1(5) .
F38 C91 F39 105.6(5) .
F37 C91 C92 114.4(5) .
F38 C91 C92 111.7(5) .
F39 C91 C92 110.5(5) .
O22 C92 C93 128.1(5) .
O22 C92 C91 114.9(5) .
C93 C92 C91 117.0(5) .
C94 C93 C92 121.0(5) .
C94 C93 H93 119.5 .
C92 C93 H93 119.5 .
O23 C94 C93 128.6(5) .
O23 C94 C95 114.9(5) .
C93 C94 C95 116.5(5) .
F41 C95 F40 107.3(4) .
F41 C95 F42 107.2(5) .
F40 C95 F42 107.4(5) .
F41 C95 C94 113.7(5) .
F40 C95 C94 111.3(5) .
F42 C95 C94 109.6(4) .
F44 C96 F43 107.6(5) .
F44 C96 F45 108.9(5) .
F43 C96 F45 106.7(5) .
F44 C96 C97 112.6(5) .
F43 C96 C97 111.7(5) .
F45 C96 C97 109.1(5) .
O24 C97 C98 128.3(5) .
O24 C97 C96 114.0(5) .
C98 C97 C96 117.7(5) .
C97 C98 C99 121.7(5) .
C97 C98 H98 119.2 .
C99 C98 H98 119.2 .
O25 C99 C98 128.2(5) .
O25 C99 C100 114.6(5) .
C98 C99 C100 117.1(5) .
F46 C100 F48 106.2(5) .
F46 C100 F47 107.1(5) .
F48 C100 F47 108.7(5) .
F46 C100 C99 112.1(5) .
F48 C100 C99 112.5(5) .
F47 C100 C99 109.9(5) .
N7 C101 N8 106.6(5) .
N7 C101 C108 126.6(5) .
N8 C101 C108 126.7(5) .
N8 C102 C104 110.8(4) .
N8 C102 C103 105.9(5) .
C104 C102 C103 110.8(5) .
N8 C102 C105 99.2(4) .
C104 C102 C105 115.4(5) .
C103 C102 C105 113.7(5) .
C102 C103 H10A 109.5 .
C102 C103 H10B 109.5 .
H10A C103 H10B 109.5 .
C102 C103 H10C 109.5 .
H10A C103 H10C 109.5 .
H10B C103 H10C 109.5 .
C102 C104 H10D 109.5 .
C102 C104 H10E 109.5 .
H10D C104 H10E 109.5 .
C102 C104 H10F 109.5 .
H10D C104 H10F 109.5 .
H10E C104 H10F 109.5 .
N7 C105 C106 106.2(5) .
N7 C105 C107 110.6(4) .
C106 C105 C107 111.4(5) .
N7 C105 C102 98.6(4) .
C106 C105 C102 114.5(5) .
C107 C105 C102 114.4(5) .
C105 C106 H10G 109.5 .
C105 C106 H10H 109.5 .
H10G C106 H10H 109.5 .
C105 C106 H10I 109.5 .
H10G C106 H10I 109.5 .
H10H C106 H10I 109.5 .
C105 C107 H10J 109.5 .
C105 C107 H10K 109.5 .
H10J C107 H10K 109.5 .
C105 C107 H10L 109.5 .
H10J C107 H10L 109.5 .
H10K C107 H10L 109.5 .
C109 C108 C113 118.7(5) .
C109 C108 C101 120.5(5) .
C113 C108 C101 120.8(5) .
C110 C109 C108 120.8(5) .
C110 C109 H109 119.6 .
C108 C109 H109 119.6 .
C111 C110 C109 120.2(5) .
C111 C110 H110 119.9 .
C109 C110 H110 119.9 .
O27 C111 C110 125.4(5) .
O27 C111 C112 114.9(5) .
C110 C111 C112 119.7(5) .
C113 C112 C111 120.3(5) .
C113 C112 H112 119.9 .
C111 C112 H112 119.9 .
C112 C113 C108 120.3(5) .
C112 C113 H113 119.9 .
C108 C113 H113 119.9 .
O27 C114 C115 108.0(5) .
O27 C114 H11A 110.1 .
C115 C114 H11A 110.1 .
O27 C114 H11B 110.1 .
C115 C114 H11B 110.1 .
H11A C114 H11B 108.4 .
C120 C115 C116 119.0(6) .
C120 C115 C114 121.2(6) .
C116 C115 C114 119.8(6) .
C117 C116 C115 120.7(6) .
C117 C116 H116 119.6 .
C115 C116 H116 119.6 .
C116 C117 C118 119.8(6) .
C116 C117 H117 120.1 .
C118 C117 H117 120.1 .
C119 C118 C117 120.3(6) .
C119 C118 H118 119.8 .
C117 C118 H118 119.8 .
C118 C119 C120 120.2(6) .
C118 C119 H119 119.9 .
C120 C119 H119 119.9 .
C115 C120 C119 120.0(6) .
C115 C120 H120 120.0 .
C119 C120 H120 120.0 .
F50 C121 F49 109.4(6) .
F50 C121 F51 106.1(6) .
F49 C121 F51 107.1(6) .
F50 C121 C122 112.5(6) .
F49 C121 C122 108.4(6) .
F51 C121 C122 113.1(6) .
O29 C122 C123 127.6(6) .
O29 C122 C121 114.4(6) .
C123 C122 C121 118.0(6) .
C124 C123 C122 122.3(6) .
C124 C123 H123 118.8 .
C122 C123 H123 118.8 .
O30 C124 C123 127.2(6) .
O30 C124 C125 114.8(5) .
C123 C124 C125 118.0(6) .
F53 C125 F52 108.7(5) .
F53 C125 F54 106.3(5) .
F52 C125 F54 106.7(5) .
F53 C125 C124 110.4(5) .
F52 C125 C124 113.9(5) .
F54 C125 C124 110.5(5) .
F56 C126 F57 108.7(6) .
F56 C126 F55 107.6(6) .
F57 C126 F55 106.5(7) .
F56 C126 C127 111.4(7) .
F57 C126 C127 112.8(6) .
F55 C126 C127 109.6(5) .
O31 C127 C128 127.8(6) .
O31 C127 C126 113.5(6) .
C128 C127 C126 118.7(6) .
C129 C128 C127 122.4(6) .
C129 C128 H128 118.8 .
C127 C128 H128 118.8 .
O32 C129 C128 127.5(6) .
O32 C129 C130 114.3(6) .
C128 C129 C130 118.1(6) .
F59 C130 F58 109.0(7) .
F59 C130 F60 102.2(7) .
F58 C130 F60 103.6(7) .
F59 C130 C129 113.5(7) .
F58 C130 C129 115.0(6) .
F60 C130 C129 112.3(6) .
F63 C131 F62 106.7(9) .
F63 C131 F61 107.1(8) .
F62 C131 F61 104.2(9) .
F63 C131 C132 115.6(8) .
F62 C131 C132 111.3(8) .
F61 C131 C132 111.1(7) .
O33 C132 C133 127.9(7) .
O33 C132 C131 113.6(7) .
C133 C132 C131 118.5(7) .
C132 C133 C134 122.0(7) .
C132 C133 H133 119.0 .
C134 C133 H133 119.0 .
O34 C134 C133 128.1(6) .
O34 C134 C135 112.4(6) .
C133 C134 C135 119.5(6) .
F64 C135 F65 108.6(7) .
F64 C135 F66 106.5(7) .
F65 C135 F66 106.2(7) .
F64 C135 C134 113.3(7) .
F65 C135 C134 111.8(6) .
F66 C135 C134 110.1(6) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pr1 O6 2.387(4) .
Pr1 O8 2.402(4) .
Pr1 O10 2.416(3) .
Pr1 O5 2.442(4) .
Pr1 O9 2.448(4) .
Pr1 O4 2.459(4) .
Pr1 O7 2.466(4) .
Pr1 O3 2.488(3) .
Pr2 O21 2.426(3) .
Pr2 O22 2.428(4) .
Pr2 O19 2.430(3) .
Pr2 O24 2.438(4) .
Pr2 O20 2.440(4) .
Pr2 O25 2.448(4) .
Pr2 O23 2.457(4) .
Pr2 O26 2.478(3) .
Pr3 O30 2.425(4) .
Pr3 O2 2.430(4) .
Pr3 O32 2.437(4) .
Pr3 O31 2.437(4) .
Pr3 O33 2.441(4) .
Pr3 O34 2.452(4) .
Pr3 O29 2.454(4) .
Pr3 O28 2.458(3) .
Cu1 O14 1.927(4) .
Cu1 O15 1.943(4) .
Cu1 O13 1.945(4) .
Cu1 O16 1.946(4) .
Cu1 O12 2.432(4) .
Cu1 O17 2.529(4) 1_654
F1 C21 1.346(7) .
F2 C21 1.348(8) .
F3 C21 1.320(9) .
F4 C25 1.251(8) .
F5 C25 1.327(8) .
F6 C25 1.321(8) .
F7 C26 1.320(7) .
F8 C26 1.332(8) .
F9 C26 1.326(7) .
F10 C30 1.319(7) .
F11 C30 1.332(7) .
F12 C30 1.332(7) .
F13 C31 1.337(7) .
F14 C31 1.326(8) .
F15 C31 1.336(8) .
F16 C35 1.323(8) .
F17 C35 1.344(8) .
F18 C35 1.330(8) .
F19 C56 1.326(7) .
F20 C56 1.337(7) .
F21 C56 1.322(6) .
F22 C60 1.329(7) .
F23 C60 1.332(7) .
F24 C60 1.325(7) .
F25 C61 1.308(7) .
F26 C61 1.354(6) .
F27 C61 1.353(7) .
F28 C65 1.339(7) .
F29 C65 1.328(7) .
F30 C65 1.342(7) .
F31 C86 1.339(8) .
F32 C86 1.332(9) .
F33 C86 1.323(8) .
F34 C90 1.303(7) .
F35 C90 1.331(7) .
F36 C90 1.342(6) .
F37 C91 1.328(7) .
F38 C91 1.337(7) .
F39 C91 1.340(7) .
F40 C95 1.331(6) .
F41 C95 1.331(7) .
F42 C95 1.339(6) .
F43 C96 1.332(7) .
F44 C96 1.323(7) .
F45 C96 1.334(7) .
F46 C100 1.321(7) .
F47 C100 1.323(7) .
F48 C100 1.322(7) .
F49 C121 1.329(8) .
F50 C121 1.311(8) .
F51 C121 1.345(8) .
F52 C125 1.318(7) .
F53 C125 1.314(7) .
F54 C125 1.327(7) .
F55 C126 1.345(9) .
F56 C126 1.300(9) .
F57 C126 1.339(9) .
F58 C130 1.289(8) .
F59 C130 1.284(9) .
F60 C130 1.303(8) .
F61 C131 1.333(10) .
F62 C131 1.316(12) .
F63 C131 1.307(10) .
F64 C135 1.296(9) .
F65 C135 1.300(8) .
F66 C135 1.328(10) .
O1 C11 1.353(6) .
O1 C14 1.444(7) .
O2 N1 1.305(6) .
O3 N2 1.279(5) .
O4 C22 1.249(7) .
O5 C24 1.247(7) .
O6 C27 1.272(7) .
O7 C29 1.252(6) .
O8 C32 1.251(7) .
O9 C34 1.251(7) .
O10 N3 1.299(5) .
O11 C46 1.372(6) .
O11 C49 1.453(6) .
O12 N4 1.291(5) .
O13 C57 1.252(7) .
O14 C59 1.255(6) .
O15 C62 1.267(6) .
O16 C64 1.273(6) .
O17 N5 1.281(5) .
O17 Cu1 2.529(4) 1_456
O18 C76 1.360(6) .
O18 C79 1.438(6) .
O19 N6 1.304(5) .
O20 C87 1.233(6) .
O21 C89 1.247(6) .
O22 C92 1.253(6) .
O23 C94 1.253(6) .
O24 C97 1.264(6) .
O25 C99 1.251(7) .
O26 N7 1.296(5) .
O27 C111 1.365(7) .
O27 C114 1.441(6) .
O28 N8 1.291(5) .
O29 C122 1.257(7) .
O30 C124 1.248(7) .
O31 C127 1.260(8) .
O32 C129 1.278(7) .
O33 C132 1.246(8) .
O34 C134 1.264(7) .
N1 C1 1.341(7) .
N1 C2 1.512(7) .
N2 C1 1.355(7) .
N2 C5 1.508(7) .
N3 C36 1.338(6) .
N3 C40 1.500(7) .
N4 C36 1.362(7) .
N4 C37 1.494(7) .
N5 C66 1.362(6) .
N5 C70 1.505(6) .
N6 C66 1.338(7) .
N6 C67 1.508(6) .
N7 C101 1.336(7) .
N7 C105 1.503(7) .
N8 C101 1.356(7) .
N8 C102 1.501(7) .
C1 C8 1.456(7) .
C2 C3 1.513(9) .
C2 C4 1.524(8) .
C2 C5 1.544(8) .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 C7 1.505(8) .
C5 C6 1.543(9) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 C13 1.392(8) .
C8 C9 1.412(8) .
C9 C10 1.372(8) .
C9 H9 0.9300 .
C10 C11 1.405(7) .
C10 H10 0.9300 .
C11 C12 1.396(8) .
C12 C13 1.382(8) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 C15 1.494(9) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.388(8) .
C15 C20 1.387(8) .
C16 C17 1.370(10) .
C16 H16 0.9300 .
C17 C18 1.377(10) .
C17 H17 0.9300 .
C18 C19 1.396(9) .
C18 H18 0.9300 .
C19 C20 1.368(9) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22 1.528(9) .
C22 C23 1.385(10) .
C23 C24 1.392(9) .
C23 H23 0.9300 .
C24 C25 1.549(9) .
C26 C27 1.514(8) .
C27 C28 1.380(8) .
C28 C29 1.393(8) .
C28 H28 0.9300 .
C29 C30 1.532(7) .
C31 C32 1.526(9) .
C32 C33 1.389(8) .
C33 C34 1.385(8) .
C33 H33 0.9300 .
C34 C35 1.527(9) .
C36 C43 1.457(7) .
C37 C38 1.516(8) .
C37 C39 1.530(7) .
C37 C40 1.538(8) .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
C40 C41 1.516(7) .
C40 C42 1.539(8) .
C41 H41A 0.9600 .
C41 H41B 0.9600 .
C41 H41C 0.9600 .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C43 C44 1.383(7) .
C43 C48 1.414(7) .
C44 C45 1.382(7) .
C44 H44 0.9300 .
C45 C46 1.384(8) .
C45 H45 0.9300 .
C46 C47 1.397(8) .
C47 C48 1.391(7) .
C47 H47 0.9300 .
C48 H48 0.9300 .
C49 C50 1.501(8) .
C49 H49A 0.9700 .
C49 H49B 0.9700 .
C50 C55 1.378(8) .
C50 C51 1.382(8) .
C51 C52 1.379(9) .
C51 H51 0.9300 .
C52 C53 1.378(10) .
C52 H52 0.9300 .
C53 C54 1.397(10) .
C53 H53 0.9300 .
C54 C55 1.388(9) .
C54 H54 0.9300 .
C55 H55 0.9300 .
C56 C57 1.534(8) .
C57 C58 1.397(8) .
C58 C59 1.390(8) .
C58 H58 0.9300 .
C59 C60 1.538(8) .
C61 C62 1.527(7) .
C62 C63 1.394(8) .
C63 C64 1.395(8) .
C63 H63 0.9300 .
C64 C65 1.513(8) .
C66 C73 1.463(7) .
C67 C68 1.527(8) .
C67 C69 1.528(7) .
C67 C70 1.557(7) .
C68 H68A 0.9600 .
C68 H68B 0.9600 .
C68 H68C 0.9600 .
C69 H69A 0.9600 .
C69 H69B 0.9600 .
C69 H69C 0.9600 .
C70 C71 1.512(7) .
C70 C72 1.513(8) .
C71 H71A 0.9600 .
C71 H71B 0.9600 .
C71 H71C 0.9600 .
C72 H72A 0.9600 .
C72 H72B 0.9600 .
C72 H72C 0.9600 .
C73 C74 1.393(7) .
C73 C78 1.396(7) .
C74 C75 1.389(7) .
C74 H74 0.9300 .
C75 C76 1.400(7) .
C75 H75 0.9300 .
C76 C77 1.397(7) .
C77 C78 1.371(7) .
C77 H77 0.9300 .
C78 H78 0.9300 .
C79 C80 1.490(7) .
C79 H79A 0.9700 .
C79 H79B 0.9700 .
C80 C81 1.388(8) .
C80 C85 1.393(8) .
C81 C82 1.399(9) .
C81 H81 0.9300 .
C82 C83 1.389(10) .
C82 H82 0.9300 .
C83 C84 1.375(10) .
C83 H83 0.9300 .
C84 C85 1.372(8) .
C84 H84 0.9300 .
C85 H85 0.9300 .
C86 C87 1.534(8) .
C87 C88 1.406(7) .
C88 C89 1.387(7) .
C88 H88 0.9300 .
C89 C90 1.545(8) .
C91 C92 1.518(8) .
C92 C93 1.406(8) .
C93 C94 1.400(8) .
C93 H93 0.9300 .
C94 C95 1.539(7) .
C96 C97 1.541(8) .
C97 C98 1.384(8) .
C98 C99 1.391(8) .
C98 H98 0.9300 .
C99 C100 1.539(7) .
C101 C108 1.451(8) .
C102 C104 1.521(8) .
C102 C103 1.524(8) .
C102 C105 1.565(8) .
C103 H10A 0.9600 .
C103 H10B 0.9600 .
C103 H10C 0.9600 .
C104 H10D 0.9600 .
C104 H10E 0.9600 .
C104 H10F 0.9600 .
C105 C106 1.511(8) .
C105 C107 1.527(8) .
C106 H10G 0.9600 .
C106 H10H 0.9600 .
C106 H10I 0.9600 .
C107 H10J 0.9600 .
C107 H10K 0.9600 .
C107 H10L 0.9600 .
C108 C109 1.392(8) .
C108 C113 1.418(8) .
C109 C110 1.387(8) .
C109 H109 0.9300 .
C110 C111 1.386(8) .
C110 H110 0.9300 .
C111 C112 1.407(7) .
C112 C113 1.374(8) .
C112 H112 0.9300 .
C113 H113 0.9300 .
C114 C115 1.504(8) .
C114 H11A 0.9700 .
C114 H11B 0.9700 .
C115 C120 1.376(9) .
C115 C116 1.388(8) .
C116 C117 1.375(8) .
C116 H116 0.9300 .
C117 C118 1.378(9) .
C117 H117 0.9300 .
C118 C119 1.360(9) .
C118 H118 0.9300 .
C119 C120 1.397(9) .
C119 H119 0.9300 .
C120 H120 0.9300 .
C121 C122 1.534(9) .
C122 C123 1.396(8) .
C123 C124 1.387(8) .
C123 H123 0.9300 .
C124 C125 1.540(8) .
C126 C127 1.538(9) .
C127 C128 1.392(9) .
C128 C129 1.381(9) .
C128 H128 0.9300 .
C129 C130 1.511(9) .
C131 C132 1.515(10) .
C132 C133 1.381(10) .
C133 C134 1.390(9) .
C133 H133 0.9300 .
C134 C135 1.541(10) .
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
O30 Pr3 O2 N1 71.8(5) .
O32 Pr3 O2 N1 -68.7(6) .
O31 Pr3 O2 N1 -5.1(5) .
O33 Pr3 O2 N1 145.7(6) .
O34 Pr3 O2 N1 -141.6(6) .
O29 Pr3 O2 N1 18.8(7) .
O28 Pr3 O2 N1 -175.4(5) .
O6 Pr1 O3 N2 -93.2(5) .
O8 Pr1 O3 N2 42.8(5) .
O10 Pr1 O3 N2 159.4(4) .
O5 Pr1 O3 N2 118.2(5) .
O9 Pr1 O3 N2 -16.7(6) .
O4 Pr1 O3 N2 -167.6(5) .
O7 Pr1 O3 N2 -28.5(5) .
O6 Pr1 O4 C22 -174.5(5) .
O8 Pr1 O4 C22 -6.5(6) .
O10 Pr1 O4 C22 92.3(5) .
O5 Pr1 O4 C22 18.6(5) .
O9 Pr1 O4 C22 140.0(4) .
O7 Pr1 O4 C22 -113.2(5) .
O3 Pr1 O4 C22 -66.7(5) .
O6 Pr1 O5 C24 -34.5(6) .
O8 Pr1 O5 C24 156.8(5) .
O10 Pr1 O5 C24 -92.9(5) .
O9 Pr1 O5 C24 -148.9(5) .
O4 Pr1 O5 C24 -8.5(5) .
O7 Pr1 O5 C24 107.4(5) .
O3 Pr1 O5 C24 60.4(5) .
O8 Pr1 O6 C27 -14.1(5) .
O10 Pr1 O6 C27 -125.3(5) .
O5 Pr1 O6 C27 -179.0(4) .
O9 Pr1 O6 C27 -51.4(4) .
O4 Pr1 O6 C27 156.2(5) .
O7 Pr1 O6 C27 28.5(4) .
O3 Pr1 O6 C27 92.8(5) .
O6 Pr1 O7 C29 -21.3(5) .
O8 Pr1 O7 C29 127.9(5) .
O10 Pr1 O7 C29 37.5(6) .
O5 Pr1 O7 C29 178.1(4) .
O9 Pr1 O7 C29 54.5(5) .
O4 Pr1 O7 C29 -87.7(5) .
O3 Pr1 O7 C29 -132.5(5) .
O6 Pr1 O8 C32 -18.6(5) .
O10 Pr1 O8 C32 87.3(5) .
O5 Pr1 O8 C32 153.5(5) .
O9 Pr1 O8 C32 19.2(5) .
O4 Pr1 O8 C32 177.9(4) .
O7 Pr1 O8 C32 -60.5(5) .
O3 Pr1 O8 C32 -129.2(5) .
O6 Pr1 O9 C34 131.7(5) .
O8 Pr1 O9 C34 -20.4(5) .
O10 Pr1 O9 C34 -131.8(5) .
O5 Pr1 O9 C34 -77.5(5) .
O4 Pr1 O9 C34 179.5(4) .
O7 Pr1 O9 C34 57.1(5) .
O3 Pr1 O9 C34 45.6(6) .
O6 Pr1 O10 N3 45.1(6) .
O8 Pr1 O10 N3 -90.7(6) .
O5 Pr1 O10 N3 -160.7(6) .
O9 Pr1 O10 N3 -26.0(5) .
O4 Pr1 O10 N3 125.7(6) .
O7 Pr1 O10 N3 -9.1(7) .
O3 Pr1 O10 N3 156.3(5) .
O14 Cu1 O12 N4 -110.0(4) .
O15 Cu1 O12 N4 71.7(4) .
O13 Cu1 O12 N4 -16.9(4) .
O16 Cu1 O12 N4 163.0(4) .
O17 Cu1 O12 N4 -74.1(8) 1_654
O14 Cu1 O13 C57 -4.8(4) .
O15 Cu1 O13 C57 160.4(4) .
O16 Cu1 O13 C57 -99.2(8) .
O12 Cu1 O13 C57 -98.5(4) .
O17 Cu1 O13 C57 72.0(4) 1_654
O15 Cu1 O14 C59 -89.8(7) .
O13 Cu1 O14 C59 9.5(4) .
O16 Cu1 O14 C59 176.1(4) .
O12 Cu1 O14 C59 96.8(4) .
O17 Cu1 O14 C59 -76.5(4) 1_654
O14 Cu1 O15 C62 -96.3(7) .
O13 Cu1 O15 C62 163.8(4) .
O16 Cu1 O15 C62 -2.9(4) .
O12 Cu1 O15 C62 76.9(4) .
O17 Cu1 O15 C62 -109.4(4) 1_654
O14 Cu1 O16 C64 175.3(4) .
O15 Cu1 O16 C64 10.2(4) .
O13 Cu1 O16 C64 -89.8(8) .
O12 Cu1 O16 C64 -90.4(4) .
O17 Cu1 O16 C64 99.4(4) 1_654
O21 Pr2 O19 N6 -144.5(4) .
O22 Pr2 O19 N6 65.8(4) .
O24 Pr2 O19 N6 -7.4(4) .
O20 Pr2 O19 N6 140.5(4) .
O25 Pr2 O19 N6 -70.9(4) .
O23 Pr2 O19 N6 15.7(5) .
O26 Pr2 O19 N6 -174.8(4) .
O21 Pr2 O20 C87 -7.9(4) .
O22 Pr2 O20 C87 158.9(5) .
O19 Pr2 O20 C87 66.7(5) .
O24 Pr2 O20 C87 114.7(5) .
O25 Pr2 O20 C87 -33.2(6) .
O23 Pr2 O20 C87 -144.9(4) .
O26 Pr2 O20 C87 -83.9(5) .
O22 Pr2 O21 C89 -15.7(5) .
O19 Pr2 O21 C89 -74.8(4) .
O24 Pr2 O21 C89 -128.3(4) .
O20 Pr2 O21 C89 6.3(4) .
O25 Pr2 O21 C89 173.7(4) .
O23 Pr2 O21 C89 121.8(4) .
O26 Pr2 O21 C89 84.5(4) .
O21 Pr2 O22 C92 169.3(4) .
O19 Pr2 O22 C92 -136.3(5) .
O24 Pr2 O22 C92 -62.3(5) .
O20 Pr2 O22 C92 147.7(5) .
O25 Pr2 O22 C92 -23.8(5) .
O23 Pr2 O22 C92 17.1(4) .
O26 Pr2 O22 C92 82.2(5) .
O21 Pr2 O23 C94 -171.5(4) .
O22 Pr2 O23 C94 -16.4(4) .
O19 Pr2 O23 C94 38.0(6) .
O24 Pr2 O23 C94 61.0(5) .
O20 Pr2 O23 C94 -74.6(5) .
O25 Pr2 O23 C94 134.7(5) .
O26 Pr2 O23 C94 -134.8(5) .
O21 Pr2 O24 C97 -87.4(5) .
O22 Pr2 O24 C97 127.1(5) .
O19 Pr2 O24 C97 -139.8(5) .
O20 Pr2 O24 C97 171.7(4) .
O25 Pr2 O24 C97 -24.9(5) .
O23 Pr2 O24 C97 53.2(5) .
O26 Pr2 O24 C97 25.1(6) .
O21 Pr2 O25 C99 153.7(5) .
O22 Pr2 O25 C99 -18.6(5) .
O19 Pr2 O25 C99 86.6(5) .
O24 Pr2 O25 C99 20.7(4) .
O20 Pr2 O25 C99 177.9(4) .
O23 Pr2 O25 C99 -58.5(4) .
O26 Pr2 O25 C99 -134.0(5) .
O21 Pr2 O26 N7 135.2(5) .
O22 Pr2 O26 N7 -83.0(5) .
O19 Pr2 O26 N7 165.3(4) .
O24 Pr2 O26 N7 7.4(6) .
O20 Pr2 O26 N7 -149.3(5) .
O25 Pr2 O26 N7 53.8(5) .
O23 Pr2 O26 N7 -20.7(5) .
O30 Pr3 O28 N8 -84.4(5) .
O2 Pr3 O28 N8 168.1(4) .
O32 Pr3 O28 N8 55.2(5) .
O31 Pr3 O28 N8 4.0(6) .
O33 Pr3 O28 N8 -152.2(5) .
O34 Pr3 O28 N8 133.9(5) .
O29 Pr3 O28 N8 -20.6(5) .
O30 Pr3 O29 C122 -14.1(5) .
O2 Pr3 O29 C122 43.9(6) .
O32 Pr3 O29 C122 141.4(5) .
O31 Pr3 O29 C122 67.7(5) .
O33 Pr3 O29 C122 -69.9(5) .
O34 Pr3 O29 C122 -165.2(5) .
O28 Pr3 O29 C122 -127.1(5) .
O2 Pr3 O30 C124 -139.0(5) .
O32 Pr3 O30 C124 -26.3(6) .
O31 Pr3 O30 C124 -66.3(5) .
O33 Pr3 O30 C124 143.8(5) .
O34 Pr3 O30 C124 158.4(5) .
O29 Pr3 O30 C124 10.9(5) .
O28 Pr3 O30 C124 76.6(5) .
O30 Pr3 O31 C127 125.9(6) .
O2 Pr3 O31 C127 -141.5(6) .
O32 Pr3 O31 C127 -27.2(5) .
O33 Pr3 O31 C127 172.6(5) .
O34 Pr3 O31 C127 -85.7(6) .
O29 Pr3 O31 C127 52.9(6) .
O28 Pr3 O31 C127 28.3(7) .
O30 Pr3 O32 C129 -20.5(6) .
O2 Pr3 O32 C129 86.1(5) .
O31 Pr3 O32 C129 21.1(5) .
O33 Pr3 O32 C129 177.1(4) .
O34 Pr3 O32 C129 156.7(5) .
O29 Pr3 O32 C129 -56.5(5) .
O28 Pr3 O32 C129 -129.8(5) .
O30 Pr3 O33 C132 172.6(6) .
O2 Pr3 O33 C132 80.4(6) .
O32 Pr3 O33 C132 -19.4(7) .
O31 Pr3 O33 C132 125.0(6) .
O34 Pr3 O33 C132 1.9(6) .
O29 Pr3 O33 C132 -133.2(6) .
O28 Pr3 O33 C132 -76.0(6) .
O30 Pr3 O34 C134 -18.7(6) .
O2 Pr3 O34 C134 -85.4(5) .
O32 Pr3 O34 C134 164.4(5) .
O31 Pr3 O34 C134 -140.3(5) .
O33 Pr3 O34 C134 -3.8(5) .
O29 Pr3 O34 C134 111.9(5) .
O28 Pr3 O34 C134 73.8(5) .
Pr3 O2 N1 C1 79.5(7) .
Pr3 O2 N1 C2 -109.8(6) .
Pr1 O3 N2 C1 88.3(7) .
Pr1 O3 N2 C5 -102.0(6) .
Pr1 O10 N3 C36 81.4(7) .
Pr1 O10 N3 C40 -108.6(6) .
Cu1 O12 N4 C36 82.3(6) .
Cu1 O12 N4 C37 -107.5(5) .
Cu1 O17 N5 C66 70.5(6) 1_456
Cu1 O17 N5 C70 -118.2(4) 1_456
Pr2 O19 N6 C66 72.5(6) .
Pr2 O19 N6 C67 -117.1(4) .
Pr2 O26 N7 C101 75.4(7) .
Pr2 O26 N7 C105 -112.9(5) .
Pr3 O28 N8 C101 78.3(7) .
Pr3 O28 N8 C102 -112.3(5) .
O2 N1 C1 N2 178.7(5) .
C2 N1 C1 N2 7.5(7) .
O2 N1 C1 C8 -1.9(9) .
C2 N1 C1 C8 -173.2(6) .
O3 N2 C1 N1 179.8(5) .
C5 N2 C1 N1 9.5(6) .
O3 N2 C1 C8 0.5(9) .
C5 N2 C1 C8 -169.9(5) .
O2 N1 C2 C3 -72.9(6) .
C1 N1 C2 C3 98.9(6) .
O2 N1 C2 C4 48.2(8) .
C1 N1 C2 C4 -140.0(6) .
O2 N1 C2 C5 168.1(5) .
C1 N1 C2 C5 -20.0(6) .
O3 N2 C5 C7 45.6(7) .
C1 N2 C5 C7 -143.4(5) .
O3 N2 C5 C2 167.7(5) .
C1 N2 C5 C2 -21.3(6) .
O3 N2 C5 C6 -73.3(6) .
C1 N2 C5 C6 97.7(6) .
N1 C2 C5 C7 139.6(5) .
C3 C2 C5 C7 27.1(7) .
C4 C2 C5 C7 -104.4(6) .
N1 C2 C5 N2 22.4(5) .
C3 C2 C5 N2 -90.1(6) .
C4 C2 C5 N2 138.4(5) .
N1 C2 C5 C6 -89.9(6) .
C3 C2 C5 C6 157.6(6) .
C4 C2 C5 C6 26.1(8) .
N1 C1 C8 C13 -150.3(6) .
N2 C1 C8 C13 28.9(9) .
N1 C1 C8 C9 31.0(8) .
N2 C1 C8 C9 -149.8(5) .
C13 C8 C9 C10 -0.3(8) .
C1 C8 C9 C10 178.5(5) .
C8 C9 C10 C11 -1.0(8) .
C14 O1 C11 C12 177.0(5) .
C14 O1 C11 C10 -1.7(8) .
C9 C10 C11 O1 -179.6(5) .
C9 C10 C11 C12 1.6(8) .
O1 C11 C12 C13 -179.9(5) .
C10 C11 C12 C13 -1.0(8) .
C11 C12 C13 C8 -0.3(9) .
C9 C8 C13 C12 0.9(8) .
C1 C8 C13 C12 -177.8(5) .
C11 O1 C14 C15 72.2(6) .
O1 C14 C15 C16 -144.0(5) .
O1 C14 C15 C20 35.2(8) .
C20 C15 C16 C17 2.2(9) .
C14 C15 C16 C17 -178.5(6) .
C15 C16 C17 C18 -1.8(11) .
C16 C17 C18 C19 1.7(11) .
C17 C18 C19 C20 -2.3(10) .
C18 C19 C20 C15 3.0(10) .
C16 C15 C20 C19 -2.9(9) .
C14 C15 C20 C19 177.9(6) .
Pr1 O4 C22 C23 -22.0(9) .
Pr1 O4 C22 C21 155.7(4) .
F3 C21 C22 O4 41.0(8) .
F1 C21 C22 O4 -78.7(7) .
F2 C21 C22 O4 163.1(5) .
F3 C21 C22 C23 -141.1(6) .
F1 C21 C22 C23 99.3(7) .
F2 C21 C22 C23 -19.0(8) .
O4 C22 C23 C24 5.8(10) .
C21 C22 C23 C24 -171.7(5) .
Pr1 O5 C24 C23 0.4(9) .
Pr1 O5 C24 C25 -177.9(3) .
C22 C23 C24 O5 5.5(10) .
C22 C23 C24 C25 -176.3(6) .
O5 C24 C25 F4 59.7(9) .
C23 C24 C25 F4 -118.8(8) .
O5 C24 C25 F6 -62.7(8) .
C23 C24 C25 F6 118.8(7) .
O5 C24 C25 F5 -177.8(5) .
C23 C24 C25 F5 3.7(8) .
Pr1 O6 C27 C28 -28.3(8) .
Pr1 O6 C27 C26 152.9(4) .
F7 C26 C27 O6 -56.8(8) .
F9 C26 C27 O6 -178.4(5) .
F8 C26 C27 O6 61.9(7) .
F7 C26 C27 C28 124.3(6) .
F9 C26 C27 C28 2.7(9) .
F8 C26 C27 C28 -117.0(6) .
O6 C27 C28 C29 4.4(10) .
C26 C27 C28 C29 -176.8(6) .
Pr1 O7 C29 C28 13.1(9) .
Pr1 O7 C29 C30 -163.5(4) .
C27 C28 C29 O7 2.9(10) .
C27 C28 C29 C30 179.4(5) .
O7 C29 C30 F10 85.6(7) .
C28 C29 C30 F10 -91.4(7) .
O7 C29 C30 F12 -152.8(5) .
C28 C29 C30 F12 30.2(8) .
O7 C29 C30 F11 -33.3(7) .
C28 C29 C30 F11 149.7(5) .
Pr1 O8 C32 C33 -13.6(9) .
Pr1 O8 C32 C31 165.9(4) .
F14 C31 C32 O8 177.7(5) .
F13 C31 C32 O8 -61.2(7) .
F15 C31 C32 O8 56.3(7) .
F14 C31 C32 C33 -2.8(8) .
F13 C31 C32 C33 118.2(6) .
F15 C31 C32 C33 -124.3(6) .
O8 C32 C33 C34 -3.5(9) .
C31 C32 C33 C34 177.2(5) .
Pr1 O9 C34 C33 16.4(9) .
Pr1 O9 C34 C35 -161.8(4) .
C32 C33 C34 O9 1.7(9) .
C32 C33 C34 C35 179.8(5) .
O9 C34 C35 F16 94.3(7) .
C33 C34 C35 F16 -84.1(8) .
O9 C34 C35 F18 -27.3(8) .
C33 C34 C35 F18 154.3(6) .
O9 C34 C35 F17 -146.6(5) .
C33 C34 C35 F17 35.0(8) .
O10 N3 C36 N4 178.5(4) .
C40 N3 C36 N4 7.8(6) .
O10 N3 C36 C43 -3.3(9) .
C40 N3 C36 C43 -174.0(5) .
O12 N4 C36 N3 -177.4(4) .
C37 N4 C36 N3 11.5(6) .
O12 N4 C36 C43 4.4(8) .
C37 N4 C36 C43 -166.6(5) .
O12 N4 C37 C38 -76.8(6) .
C36 N4 C37 C38 94.6(5) .
O12 N4 C37 C39 42.7(7) .
C36 N4 C37 C39 -145.9(5) .
O12 N4 C37 C40 163.9(4) .
C36 N4 C37 C40 -24.7(5) .
O10 N3 C40 C41 43.4(7) .
C36 N3 C40 C41 -145.4(5) .
O10 N3 C40 C37 166.3(4) .
C36 N3 C40 C37 -22.5(6) .
O10 N3 C40 C42 -75.3(6) .
C36 N3 C40 C42 95.9(5) .
N4 C37 C40 N3 25.8(5) .
C38 C37 C40 N3 -87.2(5) .
C39 C37 C40 N3 142.7(5) .
N4 C37 C40 C41 144.6(5) .
C38 C37 C40 C41 31.6(7) .
C39 C37 C40 C41 -98.4(6) .
N4 C37 C40 C42 -85.3(5) .
C38 C37 C40 C42 161.6(5) .
C39 C37 C40 C42 31.6(7) .
N3 C36 C43 C44 -141.3(5) .
N4 C36 C43 C44 36.5(8) .
N3 C36 C43 C48 35.7(8) .
N4 C36 C43 C48 -146.5(5) .
C48 C43 C44 C45 -0.3(8) .
C36 C43 C44 C45 176.7(5) .
C43 C44 C45 C46 1.1(8) .
C49 O11 C46 C45 5.7(7) .
C49 O11 C46 C47 -172.9(5) .
C44 C45 C46 O11 -178.7(5) .
C44 C45 C46 C47 -0.1(8) .
O11 C46 C47 C48 177.2(5) .
C45 C46 C47 C48 -1.5(8) .
C46 C47 C48 C43 2.3(8) .
C44 C43 C48 C47 -1.4(7) .
C36 C43 C48 C47 -178.4(5) .
C46 O11 C49 C50 178.6(4) .
O11 C49 C50 C55 96.3(6) .
O11 C49 C50 C51 -85.0(6) .
C55 C50 C51 C52 0.7(9) .
C49 C50 C51 C52 -178.0(6) .
C50 C51 C52 C53 0.4(10) .
C51 C52 C53 C54 -1.3(10) .
C52 C53 C54 C55 1.1(10) .
C51 C50 C55 C54 -0.9(9) .
C49 C50 C55 C54 177.8(5) .
C53 C54 C55 C50 0.0(9) .
Cu1 O13 C57 C58 -2.2(8) .
Cu1 O13 C57 C56 179.1(3) .
F21 C56 C57 O13 63.3(7) .
F19 C56 C57 O13 -56.0(6) .
F20 C56 C57 O13 -174.7(5) .
F21 C56 C57 C58 -115.6(6) .
F19 C56 C57 C58 125.1(5) .
F20 C56 C57 C58 6.4(7) .
O13 C57 C58 C59 7.0(9) .
C56 C57 C58 C59 -174.3(5) .
Cu1 O14 C59 C58 -8.0(8) .
Cu1 O14 C59 C60 167.4(3) .
C57 C58 C59 O14 -1.3(9) .
C57 C58 C59 C60 -176.4(5) .
O14 C59 C60 F24 -71.6(6) .
C58 C59 C60 F24 104.3(6) .
O14 C59 C60 F22 167.0(5) .
C58 C59 C60 F22 -17.1(7) .
O14 C59 C60 F23 46.0(6) .
C58 C59 C60 F23 -138.1(5) .
Cu1 O15 C62 C63 -3.0(8) .
Cu1 O15 C62 C61 177.7(3) .
F25 C61 C62 O15 -34.9(7) .
F27 C61 C62 O15 86.9(6) .
F26 C61 C62 O15 -156.7(5) .
F25 C61 C62 C63 145.8(5) .
F27 C61 C62 C63 -92.4(6) .
F26 C61 C62 C63 24.0(7) .
O15 C62 C63 C64 3.9(9) .
C61 C62 C63 C64 -176.9(5) .
Cu1 O16 C64 C63 -12.6(7) .
Cu1 O16 C64 C65 168.4(3) .
C62 C63 C64 O16 4.9(9) .
C62 C63 C64 C65 -176.1(5) .
O16 C64 C65 F29 33.7(7) .
C63 C64 C65 F29 -145.4(5) .
O16 C64 C65 F28 -85.9(6) .
C63 C64 C65 F28 95.0(6) .
O16 C64 C65 F30 155.5(5) .
C63 C64 C65 F30 -23.7(7) .
O19 N6 C66 N5 -177.7(4) .
C67 N6 C66 N5 11.1(6) .
O19 N6 C66 C73 4.5(8) .
C67 N6 C66 C73 -166.7(5) .
O17 N5 C66 N6 -178.9(4) .
C70 N5 C66 N6 9.0(6) .
O17 N5 C66 C73 -1.2(9) .
C70 N5 C66 C73 -173.2(5) .
O19 N6 C67 C68 -77.4(5) .
C66 N6 C67 C68 94.3(5) .
O19 N6 C67 C69 41.0(6) .
C66 N6 C67 C69 -147.3(5) .
O19 N6 C67 C70 163.2(4) .
C66 N6 C67 C70 -25.1(5) .
O17 N5 C70 C71 43.5(6) .
C66 N5 C70 C71 -144.2(5) .
O17 N5 C70 C72 -77.9(6) .
C66 N5 C70 C72 94.4(5) .
O17 N5 C70 C67 164.0(4) .
C66 N5 C70 C67 -23.7(5) .
N6 C67 C70 N5 26.6(5) .
C68 C67 C70 N5 -85.5(5) .
C69 C67 C70 N5 144.5(4) .
N6 C67 C70 C71 143.7(4) .
C68 C67 C70 C71 31.5(7) .
C69 C67 C70 C71 -98.4(6) .
N6 C67 C70 C72 -86.8(5) .
C68 C67 C70 C72 161.0(5) .
C69 C67 C70 C72 31.1(6) .
N6 C66 C73 C74 32.0(8) .
N5 C66 C73 C74 -145.4(5) .
N6 C66 C73 C78 -147.0(5) .
N5 C66 C73 C78 35.6(8) .
C78 C73 C74 C75 0.9(7) .
C66 C73 C74 C75 -178.2(5) .
C73 C74 C75 C76 0.0(8) .
C79 O18 C76 C77 -173.5(4) .
C79 O18 C76 C75 7.2(7) .
C74 C75 C76 O18 179.0(5) .
C74 C75 C76 C77 -0.3(8) .
O18 C76 C77 C78 -179.7(5) .
C75 C76 C77 C78 -0.4(8) .
C76 C77 C78 C73 1.3(8) .
C74 C73 C78 C77 -1.6(8) .
C66 C73 C78 C77 177.5(5) .
C76 O18 C79 C80 179.4(4) .
O18 C79 C80 C81 -118.6(6) .
O18 C79 C80 C85 65.9(7) .
C85 C80 C81 C82 0.9(9) .
C79 C80 C81 C82 -174.7(5) .
C80 C81 C82 C83 0.2(10) .
C81 C82 C83 C84 -0.5(10) .
C82 C83 C84 C85 -0.2(10) .
C83 C84 C85 C80 1.4(9) .
C81 C80 C85 C84 -1.7(9) .
C79 C80 C85 C84 173.8(5) .
Pr2 O20 C87 C88 6.8(9) .
Pr2 O20 C87 C86 -171.1(4) .
F33 C86 C87 O20 -173.3(6) .
F32 C86 C87 O20 -52.0(7) .
F31 C86 C87 O20 66.8(8) .
F33 C86 C87 C88 8.5(9) .
F32 C86 C87 C88 129.8(6) .
F31 C86 C87 C88 -111.4(6) .
O20 C87 C88 C89 0.5(9) .
C86 C87 C88 C89 178.3(5) .
Pr2 O21 C89 C88 -3.5(8) .
Pr2 O21 C89 C90 176.0(3) .
C87 C88 C89 O21 -2.2(8) .
C87 C88 C89 C90 178.3(5) .
O21 C89 C90 F34 54.5(6) .
C88 C89 C90 F34 -125.9(5) .
O21 C89 C90 F35 176.7(4) .
C88 C89 C90 F35 -3.7(7) .
O21 C89 C90 F36 -64.6(6) .
C88 C89 C90 F36 115.0(5) .
Pr2 O22 C92 C93 -15.0(8) .
Pr2 O22 C92 C91 163.9(3) .
F37 C91 C92 O22 163.8(5) .
F38 C91 C92 O22 42.0(7) .
F39 C91 C92 O22 -75.2(6) .
F37 C91 C92 C93 -17.2(7) .
F38 C91 C92 C93 -139.0(5) .
F39 C91 C92 C93 103.7(6) .
O22 C92 C93 C94 1.3(9) .
C91 C92 C93 C94 -177.5(5) .
Pr2 O23 C94 C93 13.7(8) .
Pr2 O23 C94 C95 -163.4(3) .
C92 C93 C94 O23 -0.9(9) .
C92 C93 C94 C95 176.2(5) .
O23 C94 C95 F41 -154.5(5) .
C93 C94 C95 F41 28.0(7) .
O23 C94 C95 F40 -33.1(6) .
C93 C94 C95 F40 149.4(5) .
O23 C94 C95 F42 85.5(6) .
C93 C94 C95 F42 -91.9(6) .
Pr2 O24 C97 C98 20.6(9) .
Pr2 O24 C97 C96 -158.9(3) .
F44 C96 C97 O24 150.8(5) .
F43 C96 C97 O24 29.6(7) .
F45 C96 C97 O24 -88.1(6) .
F44 C96 C97 C98 -28.8(7) .
F43 C96 C97 C98 -150.0(5) .
F45 C96 C97 C98 92.3(6) .
O24 C97 C98 C99 3.0(9) .
C96 C97 C98 C99 -177.5(5) .
Pr2 O25 C99 C98 -11.4(8) .
Pr2 O25 C99 C100 165.3(3) .
C97 C98 C99 O25 -7.8(9) .
C97 C98 C99 C100 175.6(5) .
O25 C99 C100 F46 30.6(7) .
C98 C99 C100 F46 -152.4(5) .
O25 C99 C100 F48 150.2(5) .
C98 C99 C100 F48 -32.7(8) .
O25 C99 C100 F47 -88.5(6) .
C98 C99 C100 F47 88.6(6) .
O26 N7 C101 N8 -176.5(5) .
C105 N7 C101 N8 11.3(6) .
O26 N7 C101 C108 2.1(9) .
C105 N7 C101 C108 -170.1(5) .
O28 N8 C101 N7 -179.0(5) .
C102 N8 C101 N7 10.8(6) .
O28 N8 C101 C108 2.5(9) .
C102 N8 C101 C108 -167.8(5) .
O28 N8 C102 C104 41.3(7) .
C101 N8 C102 C104 -148.1(5) .
O28 N8 C102 C103 -79.0(6) .
C101 N8 C102 C103 91.7(6) .
O28 N8 C102 C105 163.0(5) .
C101 N8 C102 C105 -26.3(6) .
O26 N7 C105 C106 -80.7(6) .
C101 N7 C105 C106 92.1(6) .
O26 N7 C105 C107 40.4(7) .
C101 N7 C105 C107 -146.9(5) .
O26 N7 C105 C102 160.6(4) .
C101 N7 C105 C102 -26.7(6) .
N8 C102 C105 N7 28.6(5) .
C104 C102 C105 N7 146.9(5) .
C103 C102 C105 N7 -83.4(6) .
N8 C102 C105 C106 -83.7(6) .
C104 C102 C105 C106 34.7(7) .
C103 C102 C105 C106 164.3(5) .
N8 C102 C105 C107 145.9(5) .
C104 C102 C105 C107 -95.7(6) .
C103 C102 C105 C107 33.9(7) .
N7 C101 C108 C109 29.0(8) .
N8 C101 C108 C109 -152.7(5) .
N7 C101 C108 C113 -149.2(5) .
N8 C101 C108 C113 29.1(8) .
C113 C108 C109 C110 -1.3(8) .
C101 C108 C109 C110 -179.6(5) .
C108 C109 C110 C111 1.9(8) .
C114 O27 C111 C110 6.1(8) .
C114 O27 C111 C112 -172.9(5) .
C109 C110 C111 O27 179.8(5) .
C109 C110 C111 C112 -1.2(8) .
O27 C111 C112 C113 179.2(5) .
C110 C111 C112 C113 0.1(8) .
C111 C112 C113 C108 0.5(8) .
C109 C108 C113 C112 0.2(8) .
C101 C108 C113 C112 178.4(5) .
C111 O27 C114 C115 -179.5(4) .
O27 C114 C115 C120 -88.9(7) .
O27 C114 C115 C116 90.7(6) .
C120 C115 C116 C117 0.7(9) .
C114 C115 C116 C117 -178.9(5) .
C115 C116 C117 C118 0.1(9) .
C116 C117 C118 C119 -0.4(9) .
C117 C118 C119 C120 -0.2(10) .
C116 C115 C120 C119 -1.2(10) .
C114 C115 C120 C119 178.3(6) .
C118 C119 C120 C115 1.0(11) .
Pr3 O29 C122 C123 14.1(9) .
Pr3 O29 C122 C121 -165.2(4) .
F50 C121 C122 O29 -37.4(8) .
F49 C121 C122 O29 83.8(7) .
F51 C121 C122 O29 -157.5(6) .
F50 C121 C122 C123 143.2(6) .
F49 C121 C122 C123 -95.6(7) .
F51 C121 C122 C123 23.1(9) .
O29 C122 C123 C124 -2.5(9) .
C121 C122 C123 C124 176.8(5) .
Pr3 O30 C124 C123 -7.1(9) .
Pr3 O30 C124 C125 173.9(3) .
C122 C123 C124 O30 -1.3(9) .
C122 C123 C124 C125 177.8(5) .
O30 C124 C125 F53 -64.7(7) .
C123 C124 C125 F53 116.2(6) .
O30 C124 C125 F52 172.7(5) .
C123 C124 C125 F52 -6.4(8) .
O30 C124 C125 F54 52.6(7) .
C123 C124 C125 F54 -126.5(6) .
Pr3 O31 C127 C128 25.5(10) .
Pr3 O31 C127 C126 -156.2(5) .
F56 C126 C127 O31 -69.6(8) .
F57 C126 C127 O31 167.8(6) .
F55 C126 C127 O31 49.3(9) .
F56 C126 C127 C128 108.8(7) .
F57 C126 C127 C128 -13.8(10) .
F55 C126 C127 C128 -132.3(7) .
O31 C127 C128 C129 -1.9(11) .
C126 C127 C128 C129 180.0(6) .
Pr3 O32 C129 C128 -12.5(9) .
Pr3 O32 C129 C130 166.7(4) .
C127 C128 C129 O32 -5.0(11) .
C127 C128 C129 C130 175.9(6) .
O32 C129 C130 F59 38.2(8) .
C128 C129 C130 F59 -142.5(7) .
O32 C129 C130 F58 164.7(7) .
C128 C129 C130 F58 -16.0(10) .
O32 C129 C130 F60 -77.1(8) .
C128 C129 C130 F60 102.2(8) .
Pr3 O33 C132 C133 0.0(11) .
Pr3 O33 C132 C131 -179.9(5) .
F63 C131 C132 O33 -176.0(8) .
F62 C131 C132 O33 62.0(10) .
F61 C131 C132 O33 -53.6(11) .
F63 C131 C132 C133 4.1(13) .
F62 C131 C132 C133 -117.8(9) .
F61 C131 C132 C133 126.5(8) .
O33 C132 C133 C134 -1.6(12) .
C131 C132 C133 C134 178.2(7) .
Pr3 O34 C134 C133 4.1(10) .
Pr3 O34 C134 C135 -176.0(4) .
C132 C133 C134 O34 -0.5(11) .
C132 C133 C134 C135 179.7(7) .
O34 C134 C135 F64 179.8(7) .
C133 C134 C135 F64 -0.4(10) .
O34 C134 C135 F65 -57.1(9) .
C133 C134 C135 F65 122.8(7) .
O34 C134 C135 F66 60.6(8) .
C133 C134 C135 F66 -119.5(8) .
