#------------------------------------------------------------------------------
#$Date: 2016-11-08 21:32:10 +0200 (Tue, 08 Nov 2016) $
#$Revision: 188092 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/65/7226502.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_7226502
loop_
_publ_author_name
'Hu, Yue-Qiao'
'Li, Mu-Qing'
'Li, Teng'
'Wang, Yan-Yan'
'Zheng, Zhiping'
'Zheng, Yan-Zhen'
_publ_section_title
;
 An alkali-ion insertion approach to structurally transform metal--organic
 frameworks
;
_journal_issue                   40
_journal_name_full               CrystEngComm
_journal_page_first              7680
_journal_paper_doi               10.1039/C6CE00540C
_journal_volume                  18
_journal_year                    2016
_chemical_formula_sum            'C69 H70 Cu12 I12 N14 O23 Pr3'
_chemical_formula_weight         4171.40
_chemical_name_common            4-Pr
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_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
;
2015-10-09 deposited with the CCDC.
2016-09-08 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 107.9360(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.0950(4)
_cell_length_b                   25.0532(8)
_cell_length_c                   29.7588(8)
_cell_measurement_temperature    150(2)
_cell_volume                     10707.2(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0229
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            123359
_diffrn_reflns_theta_full        26.64
_diffrn_reflns_theta_max         26.64
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    7.191
_exptl_absorpt_correction_T_max  0.627
_exptl_absorpt_correction_T_min  0.426
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green-yellow
_exptl_crystal_density_diffrn    2.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7708
_exptl_crystal_size_max          0.195
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.065
_refine_diff_density_max         4.848
_refine_diff_density_min         -2.689
_refine_diff_density_rms         0.211
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1150
_refine_ls_number_reflns         22363
_refine_ls_number_restraints     79
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0318
_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)+(0.0217P)²+135.9691P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0731
_refine_ls_wR_factor_ref         0.0752
_reflns_number_gt                20367
_reflns_number_total             22363
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ce00540c2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7226499--7226505.cif.'
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7226502
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
Pr3 Pr 0.041505(19) 0.599967(11) 0.464734(10) 0.00811(6) Uani 1 1 d .
Pr2 Pr -0.04327(2) 0.759097(12) 0.503883(10) 0.00972(6) Uani 1 1 d .
Pr1 Pr 0.03358(2) 0.923619(11) 0.485092(10) 0.00863(6) Uani 1 1 d .
I5 I 0.32773(2) 0.567183(14) 0.816138(12) 0.01308(7) Uani 1 1 d .
I6 I 0.52221(2) 0.644817(13) 0.739357(12) 0.01016(7) Uani 1 1 d .
I7 I 0.48761(3) 0.711803(15) 0.873058(13) 0.01870(8) Uani 1 1 d .
I8 I 0.25937(3) 0.718857(15) 0.730339(15) 0.02045(8) Uani 1 1 d .
I9 I 0.49778(2) 0.811613(13) 0.759888(12) 0.01188(7) Uani 1 1 d .
I10 I 0.68420(2) 0.749066(14) 0.672050(12) 0.01328(7) Uani 1 1 d .
I11 I -0.25782(3) 0.603356(15) 0.264967(14) 0.01946(8) Uani 1 1 d .
I12 I 0.50352(3) 0.891906(15) 0.627955(13) 0.01930(8) Uani 1 1 d .
I13 I 0.48719(2) 0.978901(13) 0.749456(12) 0.01149(7) Uani 1 1 d .
I14 I 0.30404(2) 0.911347(14) 0.835788(12) 0.01319(7) Uani 1 1 d .
I15 I -0.52865(3) 0.445136(14) 0.380980(12) 0.01450(7) Uani 1 1 d .
I16 I 0.22655(3) 1.055475(16) 0.746783(13) 0.01846(8) Uani 1 1 d .
Cu1 Cu 0.34893(5) 0.62282(3) 0.74230(2) 0.01562(14) Uani 1 1 d .
Cu2 Cu 0.48280(5) 0.62318(3) 0.81973(2) 0.01462(14) Uani 1 1 d .
Cu3 Cu 0.32287(5) 0.67056(3) 0.81434(3) 0.02104(16) Uani 1 1 d .
Cu4 Cu 0.43604(5) 0.71875(3) 0.77916(2) 0.01454(14) Uani 1 1 d .
Cu5 Cu 0.53122(5) 0.79579(3) 0.67644(3) 0.01643(15) Uani 1 1 d .
Cu6 Cu -0.33075(5) 0.70177(3) 0.25279(2) 0.01711(15) Uani 1 1 d .
Cu7 Cu 0.67649(6) 0.85354(3) 0.67835(3) 0.02053(16) Uani 1 1 d .
Cu8 Cu 0.56390(5) 0.89428(3) 0.72018(2) 0.01550(14) Uani 1 1 d .
Cu9 Cu 0.31834(5) 0.96106(3) 0.75718(2) 0.01606(14) Uani 1 1 d .
Cu10 Cu -0.54014(5) 0.53951(3) 0.33406(2) 0.01534(14) Uani 1 1 d .
Cu11 Cu -0.29745(5) 0.51629(3) 0.66576(2) 0.01639(15) Uani 1 1 d .
Cu12 Cu 0.59286(5) 0.55644(3) 0.71173(2) 0.01489(14) Uani 1 1 d .
O17 O 0.1230(3) 0.52979(15) 0.51706(13) 0.0132(8) Uani 1 1 d .
O18 O 0.0646(3) 0.47166(16) 0.55718(14) 0.0171(9) Uani 1 1 d .
O10 O 0.1793(3) 0.64484(15) 0.51968(14) 0.0161(8) Uani 1 1 d .
O9 O 0.1022(3) 0.71664(17) 0.53080(14) 0.0176(9) Uani 1 1 d .
O16 O -0.0119(3) 0.60802(16) 0.53502(14) 0.0153(8) Uani 1 1 d .
O15 O -0.0733(3) 0.68537(16) 0.54900(15) 0.0181(9) Uani 1 1 d .
O14 O -0.1013(3) 0.65300(19) 0.44264(16) 0.0237(10) Uani 1 1 d .
O13 O -0.1894(3) 0.71716(17) 0.45559(16) 0.0237(10) Uani 1 1 d .
O12 O 0.0756(3) 0.68105(15) 0.42942(14) 0.0154(8) Uani 1 1 d .
O11 O 0.0143(3) 0.76039(16) 0.43629(14) 0.0156(8) Uani 1 1 d .
O8 O 0.0241(3) 0.79634(16) 0.58520(14) 0.0178(9) Uani 1 1 d .
O7 O 0.0806(3) 0.84437(16) 0.53817(13) 0.0161(8) Uani 1 1 d .
O5 O -0.0927(3) 0.84479(16) 0.45580(13) 0.0140(8) Uani 1 1 d .
O6 O -0.0447(3) 0.88924(15) 0.40357(13) 0.0136(8) Uani 1 1 d .
O3 O 0.1952(3) 0.95430(16) 0.52925(15) 0.0193(9) Uani 1 1 d .
O4 O 0.0973(3) 1.01400(17) 0.54019(14) 0.0160(8) Uani 1 1 d .
O2 O 0.0350(3) 1.07114(16) 0.45198(15) 0.0200(9) Uani 1 1 d .
O1 O 0.0791(3) 0.98982(16) 0.43661(15) 0.0180(9) Uani 1 1 d .
O21 O 0.1846(3) 0.57653(17) 0.44539(15) 0.0195(9) Uani 1 1 d .
O22 O -0.0026(3) 0.58616(19) 0.37571(14) 0.0254(10) Uani 1 1 d .
O20 O -0.1750(5) 0.7973(3) 0.5242(2) 0.0628(11) Uani 1 1 d .
O19 O 0.1526(4) 0.8745(3) 0.4633(2) 0.0456(8) Uani 1 1 d .
N1 N 0.2833(3) 0.57902(18) 0.68533(16) 0.0123(9) Uani 1 1 d .
N2 N 0.4217(3) 0.75409(19) 0.63631(16) 0.0133(9) Uani 1 1 d .
N3 N -0.2165(3) 0.55342(19) 0.63125(17) 0.0141(10) Uani 1 1 d .
N4 N -0.4272(3) 0.58352(19) 0.36867(16) 0.0131(9) Uani 1 1 d .
N5 N 0.2325(4) 0.7981(2) 0.3441(2) 0.0229(12) Uani 1 1 d .
N6 N 0.2490(4) 0.9139(2) 0.70224(16) 0.0169(10) Uani 1 1 d .
N7 N -0.2627(3) 0.7549(2) 0.30241(16) 0.0151(10) Uani 1 1 d .
N8 N 0.4114(3) 1.07825(19) 0.64067(16) 0.0138(9) Uani 1 1 d .
N9 N 0.2413(4) 1.1128(2) 0.3554(2) 0.0251(12) Uani 1 1 d .
N10 N 0.3407(4) 0.5639(4) 0.4733(2) 0.046(2) Uani 1 1 d .
N11 N -0.0046(5) 0.6108(4) 0.3021(2) 0.048(2) Uani 1 1 d .
N12 N 0.3015(5) 0.8496(3) 0.4788(2) 0.0456(8) Uani 1 1 d D
N13 N -0.3292(5) 0.7956(3) 0.5234(3) 0.0628(11) Uani 1 1 d DU
C1 C 0.2999(4) 0.5895(2) 0.6445(2) 0.0147(11) Uani 1 1 d .
H1A H 0.3494 0.6131 0.6449 0.018 Uiso 1 1 calc R
C2 C 0.2485(4) 0.5675(2) 0.60184(19) 0.0135(11) Uani 1 1 d .
H2A H 0.2633 0.5754 0.5738 0.016 Uiso 1 1 calc R
C3 C 0.1751(4) 0.5339(2) 0.6007(2) 0.0122(11) Uani 1 1 d .
C4 C 0.1596(4) 0.5212(2) 0.6429(2) 0.0133(11) Uani 1 1 d .
H4A H 0.1118 0.4967 0.6435 0.016 Uiso 1 1 calc R
C5 C 0.2140(4) 0.5444(2) 0.6840(2) 0.0148(11) Uani 1 1 d .
H5A H 0.2023 0.5357 0.7128 0.018 Uiso 1 1 calc R
C6 C 0.1159(4) 0.5102(2) 0.55448(19) 0.0117(11) Uani 1 1 d .
C7 C 0.4271(4) 0.7142(2) 0.6069(2) 0.0169(12) Uani 1 1 d .
H7A H 0.4869 0.7012 0.6081 0.020 Uiso 1 1 calc R
C8 C 0.3496(4) 0.6916(2) 0.5750(2) 0.0166(12) Uani 1 1 d .
H8A H 0.3562 0.6639 0.5544 0.020 Uiso 1 1 calc R
C9 C 0.2619(4) 0.7099(2) 0.57349(19) 0.0127(11) Uani 1 1 d .
C10 C 0.2561(4) 0.7490(2) 0.6052(2) 0.0167(12) Uani 1 1 d .
H10A H 0.1971 0.7615 0.6060 0.020 Uiso 1 1 calc R
C11 C 0.3369(4) 0.7697(2) 0.6358(2) 0.0186(12) Uani 1 1 d .
H11A H 0.3320 0.7964 0.6576 0.022 Uiso 1 1 calc R
C12 C 0.1745(4) 0.6883(2) 0.53846(19) 0.0122(11) Uani 1 1 d .
C13 C -0.1598(4) 0.5270(2) 0.6122(2) 0.0171(12) Uani 1 1 d .
H13A H -0.1540 0.4895 0.6165 0.021 Uiso 1 1 calc R
C14 C -0.1090(4) 0.5518(2) 0.5865(2) 0.0144(11) Uani 1 1 d .
H14A H -0.0703 0.5315 0.5731 0.017 Uiso 1 1 calc R
C15 C -0.1156(4) 0.6067(2) 0.58066(19) 0.0134(11) Uani 1 1 d .
C16 C -0.1719(4) 0.6345(2) 0.6017(2) 0.0187(12) Uani 1 1 d .
H16A H -0.1764 0.6722 0.5993 0.022 Uiso 1 1 calc R
C17 C -0.2213(5) 0.6065(2) 0.6261(2) 0.0212(13) Uani 1 1 d .
H17A H -0.2605 0.6259 0.6398 0.025 Uiso 1 1 calc R
C18 C -0.0620(4) 0.6354(2) 0.55247(19) 0.0127(11) Uani 1 1 d .
C19 C -0.3424(4) 0.5669(2) 0.3688(2) 0.0178(12) Uani 1 1 d .
H19A H -0.3381 0.5347 0.3527 0.021 Uiso 1 1 calc R
C20 C -0.2610(4) 0.5940(2) 0.3911(2) 0.0170(12) Uani 1 1 d .
H20A H -0.2025 0.5804 0.3907 0.020 Uiso 1 1 calc R
C21 C -0.2660(4) 0.6413(2) 0.4140(2) 0.0141(11) Uani 1 1 d .
C22 C -0.3531(4) 0.6596(2) 0.4134(2) 0.0179(12) Uani 1 1 d .
H22A H -0.3592 0.6921 0.4287 0.022 Uiso 1 1 calc R
C23 C -0.4309(4) 0.6300(2) 0.3903(2) 0.0168(12) Uani 1 1 d .
H23A H -0.4902 0.6432 0.3898 0.020 Uiso 1 1 calc R
C24 C -0.1787(4) 0.6728(2) 0.4392(2) 0.0159(12) Uani 1 1 d .
C25 C 0.2337(5) 0.7453(3) 0.3523(3) 0.0337(18) Uani 1 1 d .
H25A H 0.2743 0.7233 0.3416 0.040 Uiso 1 1 calc R
C26 C 0.1781(5) 0.7220(3) 0.3757(3) 0.0298(16) Uani 1 1 d .
H26A H 0.1808 0.6846 0.3813 0.036 Uiso 1 1 calc R
C27 C 0.1184(4) 0.7536(2) 0.3910(2) 0.0158(11) Uani 1 1 d .
C28 C 0.1109(4) 0.8065(2) 0.37875(19) 0.0128(11) Uani 1 1 d .
H28A H 0.0660 0.8286 0.3860 0.015 Uiso 1 1 calc R
C29 C 0.1695(4) 0.8271(2) 0.3557(2) 0.0155(11) Uani 1 1 d .
H29A H 0.1646 0.8639 0.3478 0.019 Uiso 1 1 calc R
C30 C 0.0644(4) 0.7294(2) 0.42119(19) 0.0125(11) Uani 1 1 d .
C31 C 0.1762(5) 0.8835(3) 0.7033(2) 0.0282(15) Uani 1 1 d .
H31A H 0.1632 0.8803 0.7324 0.034 Uiso 1 1 calc R
C32 C 0.1197(5) 0.8567(3) 0.6649(2) 0.0255(15) Uani 1 1 d .
H32A H 0.0691 0.8358 0.6676 0.031 Uiso 1 1 calc R
C33 C 0.1377(4) 0.8609(2) 0.6220(2) 0.0157(11) Uani 1 1 d .
C34 C 0.2143(4) 0.8899(2) 0.6205(2) 0.0163(12) Uani 1 1 d .
H34A H 0.2305 0.8919 0.5922 0.020 Uiso 1 1 calc R
C35 C 0.2676(4) 0.9162(2) 0.6609(2) 0.0170(12) Uani 1 1 d .
H35A H 0.3195 0.9367 0.6592 0.020 Uiso 1 1 calc R
C36 C 0.0763(4) 0.8322(2) 0.5789(2) 0.0157(12) Uani 1 1 d .
C37 C -0.2833(4) 0.7618(2) 0.3423(2) 0.0176(12) Uani 1 1 d .
H37A H -0.3358 0.7435 0.3460 0.021 Uiso 1 1 calc R
C38 C -0.2325(4) 0.7942(2) 0.37889(19) 0.0145(11) Uani 1 1 d .
H38A H -0.2499 0.7981 0.4068 0.017 Uiso 1 1 calc R
C39 C -0.1560(4) 0.8209(2) 0.37393(19) 0.0116(11) Uani 1 1 d .
C40 C -0.1373(4) 0.8167(3) 0.3315(2) 0.0223(13) Uani 1 1 d .
H40A H -0.0883 0.8368 0.3260 0.027 Uiso 1 1 calc R
C41 C -0.1905(5) 0.7831(3) 0.2974(2) 0.0273(15) Uani 1 1 d .
H41A H -0.1756 0.7796 0.2687 0.033 Uiso 1 1 calc R
C42 C -0.0936(4) 0.8541(2) 0.41334(19) 0.0116(11) Uani 1 1 d .
C43 C 0.4203(4) 1.0476(3) 0.6053(2) 0.0272(15) Uani 1 1 d .
H43A H 0.4799 1.0446 0.6010 0.033 Uiso 1 1 calc R
C44 C 0.3469(4) 1.0202(3) 0.5749(2) 0.0253(14) Uani 1 1 d .
H44A H 0.3559 0.9984 0.5505 0.030 Uiso 1 1 calc R
C45 C 0.2595(4) 1.0253(2) 0.5808(2) 0.0142(11) Uani 1 1 d .
C46 C 0.2504(4) 1.0548(2) 0.6176(2) 0.0141(11) Uani 1 1 d .
H46A H 0.1917 1.0577 0.6231 0.017 Uiso 1 1 calc R
C47 C 0.3278(4) 1.0806(2) 0.64706(19) 0.0137(11) Uani 1 1 d .
H47A H 0.3211 1.1008 0.6728 0.016 Uiso 1 1 calc R
C48 C 0.1785(4) 0.9959(2) 0.54752(19) 0.0136(11) Uani 1 1 d .
C49 C 0.1799(4) 1.1399(2) 0.3690(2) 0.0181(12) Uani 1 1 d .
H49A H 0.1725 1.1768 0.3614 0.022 Uiso 1 1 calc R
C50 C 0.1257(4) 1.1177(2) 0.3937(2) 0.0207(13) Uani 1 1 d .
H50A H 0.0838 1.1395 0.4037 0.025 Uiso 1 1 calc R
C51 C 0.1318(4) 1.0646(2) 0.4039(2) 0.0173(12) Uani 1 1 d .
C52 C 0.1958(7) 1.0355(3) 0.3896(4) 0.051(2) Uani 1 1 d U
H52A H 0.2021 0.9982 0.3956 0.061 Uiso 1 1 calc R
C53 C 0.2505(7) 1.0606(3) 0.3667(3) 0.048(2) Uani 1 1 d U
H53A H 0.2965 1.0404 0.3584 0.057 Uiso 1 1 calc R
C54 C 0.0770(4) 1.0392(2) 0.4327(2) 0.0149(11) Uani 1 1 d .
C55 C 0.2645(5) 0.5924(3) 0.4538(2) 0.0298(16) Uani 1 1 d .
H55A H 0.2728 0.6283 0.4457 0.036 Uiso 1 1 calc R
C56 C 0.3327(7) 0.5093(4) 0.4883(3) 0.061(3) Uani 1 1 d .
H56A H 0.2673 0.5013 0.4847 0.092 Uiso 1 1 calc R
H56B H 0.3700 0.5051 0.5215 0.092 Uiso 1 1 calc R
H56C H 0.3555 0.4847 0.4687 0.092 Uiso 1 1 calc R
C57 C 0.4309(6) 0.5836(5) 0.4757(3) 0.065(3) Uani 1 1 d U
H57A H 0.4256 0.6206 0.4645 0.098 Uiso 1 1 calc R
H57B H 0.4572 0.5615 0.4558 0.098 Uiso 1 1 calc R
H57C H 0.4717 0.5822 0.5084 0.098 Uiso 1 1 calc R
C58 C -0.0105(6) 0.6180(4) 0.3441(2) 0.044(2) Uani 1 1 d .
C59 C 0.0120(7) 0.5555(4) 0.2870(3) 0.058(3) Uani 1 1 d .
H59A H 0.0178 0.5306 0.3131 0.087 Uiso 1 1 calc R
H59B H 0.0695 0.5551 0.2782 0.087 Uiso 1 1 calc R
H59C H -0.0405 0.5448 0.2598 0.087 Uiso 1 1 calc R
C60 C -0.0146(7) 0.6530(5) 0.2680(3) 0.066(3) Uani 1 1 d .
H60A H -0.0249 0.6870 0.2819 0.099 Uiso 1 1 calc R
H60B H -0.0678 0.6454 0.2401 0.099 Uiso 1 1 calc R
H60C H 0.0422 0.6555 0.2587 0.099 Uiso 1 1 calc R
C67 C 0.2153(6) 0.8432(4) 0.4825(3) 0.0456(8) Uani 1 1 d U
H67A H 0.2031 0.8141 0.5001 0.055 Uiso 1 1 calc R
C68 C 0.3298(6) 0.8900(3) 0.4551(3) 0.0456(8) Uani 1 1 d DU
H68A H 0.2782 0.9150 0.4424 0.068 Uiso 1 1 calc R
H68B H 0.3488 0.8749 0.4291 0.068 Uiso 1 1 calc R
H68C H 0.3825 0.9089 0.4769 0.068 Uiso 1 1 calc R
C69 C 0.3656(6) 0.8081(3) 0.5005(3) 0.0456(8) Uani 1 1 d DU
H69A H 0.3349 0.7825 0.5157 0.068 Uiso 1 1 calc R
H69B H 0.4196 0.8236 0.5242 0.068 Uiso 1 1 calc R
H69C H 0.3861 0.7897 0.4763 0.068 Uiso 1 1 calc R
C70 C -0.2436(6) 0.7728(5) 0.5281(4) 0.0628(11) Uani 1 1 d DU
H70A H -0.2367 0.7357 0.5347 0.075 Uiso 1 1 calc R
C71 C -0.3349(7) 0.8489(4) 0.5099(4) 0.0628(11) Uani 1 1 d DU
H71A H -0.2739 0.8610 0.5088 0.094 Uiso 1 1 calc R
H71B H -0.3540 0.8705 0.5328 0.094 Uiso 1 1 calc R
H71C H -0.3808 0.8528 0.4786 0.094 Uiso 1 1 calc R
C72 C -0.4045(6) 0.7653(4) 0.5283(4) 0.0628(11) Uani 1 1 d DU
H72A H -0.3835 0.7288 0.5379 0.094 Uiso 1 1 calc R
H72B H -0.4544 0.7644 0.4981 0.094 Uiso 1 1 calc R
H72C H -0.4279 0.7816 0.5524 0.094 Uiso 1 1 calc R
O23 O -0.0335(4) 0.7676(2) 0.6836(2) 0.0406(13) Uani 1 1 d D
N14 N 0.0039(4) 0.6797(2) 0.6964(2) 0.0289(13) Uani 1 1 d D
C64 C 0.0003(4) 0.7271(2) 0.6735(2) 0.0270(14) Uani 1 1 d D
H64A H 0.0257 0.7285 0.6480 0.032 Uiso 1 1 calc R
C65 C -0.0296(7) 0.6769(4) 0.7363(3) 0.054(2) Uani 1 1 d .
H65A H -0.0592 0.7108 0.7398 0.081 Uiso 1 1 calc R
H65B H 0.0226 0.6700 0.7649 0.081 Uiso 1 1 calc R
H65C H -0.0752 0.6479 0.7317 0.081 Uiso 1 1 calc R
C66 C 0.0497(5) 0.6336(3) 0.6853(3) 0.0377(18) Uani 1 1 d .
H66A H 0.0689 0.6411 0.6573 0.056 Uiso 1 1 calc R
H66B H 0.0068 0.6032 0.6789 0.056 Uiso 1 1 calc R
H66C H 0.1047 0.6252 0.7120 0.056 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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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_1
_geom_angle_site_symmetry_3
O18 Pr3 O12 137.49(14) 3_566 .
O18 Pr3 O17 78.01(13) 3_566 .
O12 Pr3 O17 139.26(13) . .
O18 Pr3 O14 82.64(15) 3_566 .
O12 Pr3 O14 73.38(14) . .
O17 Pr3 O14 143.14(14) . .
O18 Pr3 O16 85.72(14) 3_566 .
O12 Pr3 O16 117.95(13) . .
O17 Pr3 O16 75.41(13) . .
O14 Pr3 O16 72.10(14) . .
O18 Pr3 O21 108.81(15) 3_566 .
O12 Pr3 O21 77.27(14) . .
O17 Pr3 O21 70.71(14) . .
O14 Pr3 O21 145.93(14) . .
O16 Pr3 O21 138.86(14) . .
O18 Pr3 O10 152.34(13) 3_566 .
O12 Pr3 O10 70.01(14) . .
O17 Pr3 O10 75.43(13) . .
O14 Pr3 O10 114.94(14) . .
O16 Pr3 O10 80.29(13) . .
O21 Pr3 O10 69.26(14) . .
O18 Pr3 O22 70.83(14) 3_566 .
O12 Pr3 O22 71.59(14) . .
O17 Pr3 O22 119.26(14) . .
O14 Pr3 O22 82.40(16) . .
O16 Pr3 O22 147.38(14) . .
O21 Pr3 O22 72.11(15) . .
O10 Pr3 O22 130.04(14) . .
O9 Pr2 O15 77.25(14) . .
O9 Pr2 O11 75.68(14) . .
O15 Pr2 O11 130.56(14) . .
O9 Pr2 O20 147.12(19) . .
O15 Pr2 O20 81.7(2) . .
O11 Pr2 O20 136.6(2) . .
O9 Pr2 O13 125.50(14) . .
O15 Pr2 O13 73.13(15) . .
O11 Pr2 O13 90.41(15) . .
O20 Pr2 O13 70.2(2) . .
O9 Pr2 O8 77.28(14) . .
O15 Pr2 O8 80.61(14) . .
O11 Pr2 O8 130.96(14) . .
O20 Pr2 O8 74.59(19) . .
O13 Pr2 O8 138.37(15) . .
O9 Pr2 O5 130.65(14) . .
O15 Pr2 O5 151.95(13) . .
O11 Pr2 O5 69.04(13) . .
O20 Pr2 O5 72.0(2) . .
O13 Pr2 O5 88.69(13) . .
O8 Pr2 O5 100.94(13) . .
O9 Pr2 O7 76.90(13) . .
O15 Pr2 O7 126.75(13) . .
O11 Pr2 O7 85.58(13) . .
O20 Pr2 O7 96.5(2) . .
O13 Pr2 O7 155.42(13) . .
O8 Pr2 O7 48.62(12) . .
O5 Pr2 O7 67.22(12) . .
O9 Pr2 C36 74.87(14) . .
O15 Pr2 C36 103.01(15) . .
O11 Pr2 C36 108.68(15) . .
O20 Pr2 C36 85.8(2) . .
O13 Pr2 C36 155.93(15) . .
O8 Pr2 C36 23.79(15) . .
O5 Pr2 C36 84.84(14) . .
O7 Pr2 C36 24.87(14) . .
O2 Pr1 O19 140.12(18) 3_576 .
O2 Pr1 O1 133.81(14) 3_576 .
O19 Pr1 O1 79.63(18) . .
O2 Pr1 O4 72.81(14) 3_576 3_576
O19 Pr1 O4 146.72(17) . 3_576
O1 Pr1 O4 74.40(14) . 3_576
O2 Pr1 O7 69.99(13) 3_576 .
O19 Pr1 O7 71.11(17) . .
O1 Pr1 O7 147.09(14) . .
O4 Pr1 O7 138.24(13) 3_576 .
O2 Pr1 O6 125.84(14) 3_576 .
O19 Pr1 O6 74.56(16) . .
O1 Pr1 O6 78.16(13) . .
O4 Pr1 O6 79.99(13) 3_576 .
O7 Pr1 O6 107.26(13) . .
O2 Pr1 O3 99.08(15) 3_576 .
O19 Pr1 O3 67.32(17) . .
O1 Pr1 O3 72.25(14) . .
O4 Pr1 O3 121.87(13) 3_576 .
O7 Pr1 O3 82.62(14) . .
O6 Pr1 O3 134.92(13) . .
O2 Pr1 O5 82.01(13) 3_576 .
O19 Pr1 O5 92.86(17) . .
O1 Pr1 O5 127.47(13) . .
O4 Pr1 O5 86.84(13) 3_576 .
O7 Pr1 O5 69.96(12) . .
O6 Pr1 O5 50.09(12) . .
O3 Pr1 O5 150.49(13) . .
O2 Pr1 O4 69.59(13) 3_576 .
O19 Pr1 O4 114.81(17) . .
O1 Pr1 O4 71.67(13) . .
O4 Pr1 O4 76.23(13) 3_576 .
O7 Pr1 O4 107.11(12) . .
O6 Pr1 O4 145.54(12) . .
O3 Pr1 O4 48.65(12) . .
O5 Pr1 O4 150.09(12) . .
O2 Pr1 C42 104.76(15) 3_576 .
O19 Pr1 C42 82.97(18) . .
O1 Pr1 C42 102.27(15) . .
O4 Pr1 C42 82.61(14) 3_576 .
O7 Pr1 C42 89.03(14) . .
O6 Pr1 C42 24.45(14) . .
O3 Pr1 C42 150.27(14) . .
O5 Pr1 C42 25.64(13) . .
O4 Pr1 C42 158.83(13) . .
O2 Pr1 C48 83.78(15) 3_576 .
O19 Pr1 C48 90.74(18) . .
O1 Pr1 C48 70.78(15) . .
O4 Pr1 C48 99.83(14) 3_576 .
O7 Pr1 C48 94.41(14) . .
O6 Pr1 C48 147.61(14) . .
O3 Pr1 C48 23.85(14) . .
O5 Pr1 C48 161.75(13) . .
O4 Pr1 C48 24.81(13) . .
C42 Pr1 C48 171.45(15) . .
O2 Pr1 Pr1 65.73(10) 3_576 3_576
O19 Pr1 Pr1 141.25(15) . 3_576
O1 Pr1 Pr1 68.15(10) . 3_576
O4 Pr1 Pr1 41.02(9) 3_576 3_576
O7 Pr1 Pr1 129.91(9) . 3_576
O6 Pr1 Pr1 117.00(9) . 3_576
O3 Pr1 Pr1 82.36(9) . 3_576
O5 Pr1 Pr1 123.58(8) . 3_576
O4 Pr1 Pr1 35.21(8) . 3_576
C42 Pr1 Pr1 123.62(10) . 3_576
C48 Pr1 Pr1 59.20(11) . 3_576
Cu3 I5 Cu2 60.04(2) . .
Cu3 I5 Cu1 58.50(2) . .
Cu2 I5 Cu1 56.40(2) . .
Cu2 I6 Cu12 108.80(2) . .
Cu2 I6 Cu1 56.55(2) . .
Cu12 I6 Cu1 108.70(2) . .
Cu2 I6 Cu4 59.11(2) . .
Cu12 I6 Cu4 167.17(2) . .
Cu1 I6 Cu4 61.93(2) . .
Cu4 I7 Cu2 59.63(2) . .
Cu4 I7 Cu3 56.35(2) . .
Cu2 I7 Cu3 57.85(2) . .
Cu4 I8 Cu3 57.97(2) . .
Cu4 I8 Cu1 63.07(2) . .
Cu3 I8 Cu1 57.23(2) . .
Cu4 I9 Cu6 108.75(2) . 4_676
Cu4 I9 Cu5 104.38(2) . .
Cu6 I9 Cu5 56.85(2) 4_676 .
Cu4 I9 Cu8 165.50(3) . .
Cu6 I9 Cu8 64.48(2) 4_676 .
Cu5 I9 Cu8 61.12(2) . .
Cu5 I10 Cu7 59.61(2) . .
Cu5 I10 Cu6 56.73(2) . 4_676
Cu7 I10 Cu6 58.56(2) . 4_676
Cu8 I11 Cu6 66.04(2) 4_475 .
Cu8 I11 Cu7 58.88(2) 4_475 4_475
Cu6 I11 Cu7 59.04(2) . 4_475
Cu8 I12 Cu7 58.00(2) . .
Cu8 I12 Cu5 61.65(2) . .
Cu7 I12 Cu5 56.46(2) . .
Cu9 I13 Cu8 114.50(3) . .
Cu9 I13 Cu10 57.92(2) . 4_676
Cu8 I13 Cu10 111.76(2) . 4_676
Cu9 I13 Cu12 61.48(2) . 2_656
Cu8 I13 Cu12 172.61(3) . 2_656
Cu10 I13 Cu12 60.92(2) 4_676 2_656
Cu11 I14 Cu10 64.38(2) 2_556 4_676
Cu11 I14 Cu9 62.57(2) 2_556 .
Cu10 I14 Cu9 57.85(2) 4_676 .
Cu12 I15 Cu10 61.98(2) 3_566 .
Cu12 I15 Cu11 59.11(2) 3_566 3_466
Cu10 I15 Cu11 62.22(2) . 3_466
Cu12 I16 Cu11 59.97(2) 2_656 2_556
Cu12 I16 Cu9 62.21(2) 2_656 .
Cu11 I16 Cu9 62.08(2) 2_556 .
N1 Cu1 Cu2 144.27(14) . .
N1 Cu1 Cu3 142.28(14) . .
Cu2 Cu1 Cu3 62.03(3) . .
N1 Cu1 I6 108.39(14) . .
Cu2 Cu1 I6 61.54(2) . .
Cu3 Cu1 I6 109.17(3) . .
N1 Cu1 I5 104.69(14) . .
Cu2 Cu1 I5 61.79(2) . .
Cu3 Cu1 I5 58.59(2) . .
I6 Cu1 I5 119.33(3) . .
N1 Cu1 I8 106.02(14) . .
Cu2 Cu1 I8 109.70(3) . .
Cu3 Cu1 I8 60.34(3) . .
I6 Cu1 I8 105.17(3) . .
I5 Cu1 I8 112.51(3) . .
N1 Cu1 Cu4 148.40(14) . .
Cu2 Cu1 Cu4 59.83(3) . .
Cu3 Cu1 Cu4 56.71(3) . .
I6 Cu1 Cu4 59.62(2) . .
I5 Cu1 Cu4 106.47(3) . .
I8 Cu1 Cu4 56.47(2) . .
N8 Cu2 Cu1 142.30(14) 2_646 .
N8 Cu2 Cu3 146.10(14) 2_646 .
Cu1 Cu2 Cu3 59.62(3) . .
N8 Cu2 Cu4 144.71(14) 2_646 .
Cu1 Cu2 Cu4 64.58(3) . .
Cu3 Cu2 Cu4 57.54(3) . .
N8 Cu2 I6 106.28(14) 2_646 .
Cu1 Cu2 I6 61.91(2) . .
Cu3 Cu2 I6 107.61(3) . .
Cu4 Cu2 I6 61.23(2) . .
N8 Cu2 I5 104.74(14) 2_646 .
Cu1 Cu2 I5 61.81(2) . .
Cu3 Cu2 I5 57.89(2) . .
Cu4 Cu2 I5 109.98(3) . .
I6 Cu2 I5 119.68(3) . .
N8 Cu2 I7 103.97(14) 2_646 .
Cu1 Cu2 I7 113.65(3) . .
Cu3 Cu2 I7 61.92(2) . .
Cu4 Cu2 I7 59.23(2) . .
I6 Cu2 I7 112.40(3) . .
I5 Cu2 I7 108.32(3) . .
N5 Cu3 Cu4 128.82(15) 4_576 .
N5 Cu3 Cu1 147.75(18) 4_576 .
Cu4 Cu3 Cu1 65.74(3) . .
N5 Cu3 I5 113.67(15) 4_576 .
Cu4 Cu3 I5 117.45(3) . .
Cu1 Cu3 I5 62.91(2) . .
N5 Cu3 Cu2 151.79(17) 4_576 .
Cu4 Cu3 Cu2 61.74(3) . .
Cu1 Cu3 Cu2 58.35(3) . .
I5 Cu3 Cu2 62.07(2) . .
N5 Cu3 I8 98.01(16) 4_576 .
Cu4 Cu3 I8 59.83(2) . .
Cu1 Cu3 I8 62.43(3) . .
I5 Cu3 I8 118.10(3) . .
Cu2 Cu3 I8 108.46(3) . .
N5 Cu3 I7 100.21(17) 4_576 .
Cu4 Cu3 I7 59.93(2) . .
Cu1 Cu3 I7 111.10(3) . .
I5 Cu3 I7 110.28(3) . .
Cu2 Cu3 I7 60.23(2) . .
I8 Cu3 I7 114.56(3) . .
Cu3 Cu4 I8 62.20(3) . .
Cu3 Cu4 I9 146.06(3) . .
I8 Cu4 I9 104.29(3) . .
Cu3 Cu4 I7 63.72(3) . .
I8 Cu4 I7 120.08(3) . .
I9 Cu4 I7 106.10(3) . .
Cu3 Cu4 Cu2 60.71(3) . .
I8 Cu4 Cu2 109.49(3) . .
I9 Cu4 Cu2 145.74(3) . .
I7 Cu4 Cu2 61.14(2) . .
Cu3 Cu4 I6 108.88(3) . .
I8 Cu4 I6 107.45(3) . .
I9 Cu4 I6 104.87(3) . .
I7 Cu4 I6 112.68(3) . .
Cu2 Cu4 I6 59.65(2) . .
Cu3 Cu4 Cu1 57.56(3) . .
I8 Cu4 Cu1 60.46(2) . .
I9 Cu4 Cu1 145.98(3) . .
I7 Cu4 Cu1 107.77(3) . .
Cu2 Cu4 Cu1 55.59(2) . .
I6 Cu4 Cu1 58.45(2) . .
N2 Cu5 Cu6 146.47(14) . 4_676
N2 Cu5 Cu7 146.36(14) . .
Cu6 Cu5 Cu7 61.36(3) 4_676 .
N2 Cu5 I10 108.30(14) . .
Cu6 Cu5 I10 64.44(2) 4_676 .
Cu7 Cu5 I10 60.22(2) . .
N2 Cu5 I9 105.62(14) . .
Cu6 Cu5 I9 61.00(2) 4_676 .
Cu7 Cu5 I9 106.90(3) . .
I10 Cu5 I9 121.67(3) . .
N2 Cu5 Cu8 137.69(14) . .
Cu6 Cu5 Cu8 65.37(3) 4_676 .
Cu7 Cu5 Cu8 57.87(3) . .
I10 Cu5 Cu8 112.90(3) . .
I9 Cu5 Cu8 59.63(2) . .
N2 Cu5 I12 100.24(14) . .
Cu6 Cu5 I12 113.02(3) 4_676 .
Cu7 Cu5 I12 61.40(3) . .
I10 Cu5 I12 110.80(3) . .
I9 Cu5 I12 107.99(3) . .
Cu8 Cu5 I12 56.33(2) . .
N7 Cu6 Cu5 136.32(14) . 4_475
N7 Cu6 Cu7 144.66(14) . 4_475
Cu5 Cu6 Cu7 60.17(3) 4_475 4_475
N7 Cu6 I11 114.38(14) . .
Cu5 Cu6 I11 109.23(3) 4_475 .
Cu7 Cu6 I11 60.63(2) 4_475 .
N7 Cu6 I9 108.12(14) . 4_475
Cu5 Cu6 I9 62.15(2) 4_475 4_475
Cu7 Cu6 I9 106.88(3) 4_475 4_475
I11 Cu6 I9 103.93(3) . 4_475
N7 Cu6 I10 100.50(14) . 4_475
Cu5 Cu6 I10 58.83(2) 4_475 4_475
Cu7 Cu6 I10 58.05(2) 4_475 4_475
I11 Cu6 I10 112.74(3) . 4_475
I9 Cu6 I10 117.53(3) 4_475 4_475
N7 Cu6 Cu8 154.24(14) . 4_475
Cu5 Cu6 Cu8 60.58(3) 4_475 4_475
Cu7 Cu6 Cu8 56.03(3) 4_475 4_475
I11 Cu6 Cu8 55.83(2) . 4_475
I9 Cu6 Cu8 58.43(2) 4_475 4_475
I10 Cu6 Cu8 105.24(3) 4_475 4_475
N9 Cu7 Cu8 132.04(15) 3_676 .
N9 Cu7 Cu5 149.98(18) 3_676 .
Cu8 Cu7 Cu5 63.94(3) . .
N9 Cu7 I10 109.56(15) 3_676 .
Cu8 Cu7 I10 118.29(3) . .
Cu5 Cu7 I10 60.16(2) . .
N9 Cu7 Cu6 146.22(18) 3_676 4_676
Cu8 Cu7 Cu6 66.64(3) . 4_676
Cu5 Cu7 Cu6 58.47(3) . 4_676
I10 Cu7 Cu6 63.39(2) . 4_676
N9 Cu7 I11 102.06(17) 3_676 4_676
Cu8 Cu7 I11 59.09(2) . 4_676
Cu5 Cu7 I11 107.62(3) . 4_676
I10 Cu7 I11 117.20(3) . 4_676
Cu6 Cu7 I11 60.33(3) 4_676 4_676
N9 Cu7 I12 102.10(18) 3_676 .
Cu8 Cu7 I12 58.30(2) . .
Cu5 Cu7 I12 62.14(3) . .
I10 Cu7 I12 111.35(3) . .
Cu6 Cu7 I12 111.25(3) 4_676 .
I11 Cu7 I12 112.97(3) 4_676 .
Cu7 Cu8 I11 62.03(3) . 4_676
Cu7 Cu8 I12 63.70(3) . .
I11 Cu8 I12 120.55(3) 4_676 .
Cu7 Cu8 I13 150.96(3) . .
I11 Cu8 I13 107.22(3) 4_676 .
I12 Cu8 I13 108.24(3) . .
Cu7 Cu8 I9 106.85(3) . .
I11 Cu8 I9 104.70(3) 4_676 .
I12 Cu8 I9 112.51(3) . .
I13 Cu8 I9 101.97(3) . .
Cu7 Cu8 Cu5 58.19(3) . .
I11 Cu8 Cu5 105.50(3) 4_676 .
I12 Cu8 Cu5 62.02(2) . .
I13 Cu8 Cu5 145.64(3) . .
I9 Cu8 Cu5 59.25(2) . .
Cu7 Cu8 Cu6 57.34(3) . 4_676
I11 Cu8 Cu6 58.13(2) 4_676 4_676
I12 Cu8 Cu6 108.21(3) . 4_676
I13 Cu8 Cu6 142.91(3) . 4_676
I9 Cu8 Cu6 57.09(2) . 4_676
Cu5 Cu8 Cu6 54.05(2) . 4_676
N6 Cu9 Cu10 141.73(15) . 4_676
N6 Cu9 I13 107.32(15) . .
Cu10 Cu9 I13 61.94(2) 4_676 .
N6 Cu9 I16 107.30(15) . .
Cu10 Cu9 I16 110.93(3) 4_676 .
I13 Cu9 I16 108.21(3) . .
N6 Cu9 I14 105.63(14) . .
Cu10 Cu9 I14 60.16(2) 4_676 .
I13 Cu9 I14 118.85(3) . .
I16 Cu9 I14 108.97(3) . .
N6 Cu9 Cu12 148.48(14) . 2_656
Cu10 Cu9 Cu12 61.81(3) 4_676 2_656
I13 Cu9 Cu12 60.31(2) . 2_656
I16 Cu9 Cu12 57.35(2) . 2_656
I14 Cu9 Cu12 105.54(3) . 2_656
N6 Cu9 Cu11 142.59(15) . 2_556
Cu10 Cu9 Cu11 63.17(3) 4_676 2_556
I13 Cu9 Cu11 110.01(3) . 2_556
I16 Cu9 Cu11 58.38(2) . 2_556
I14 Cu9 Cu11 57.20(2) . 2_556
Cu12 Cu9 Cu11 57.21(2) 2_656 2_556
N4 Cu10 Cu9 141.61(14) . 4_475
N4 Cu10 I14 110.35(14) . 4_475
Cu9 Cu10 I14 61.99(2) 4_475 4_475
N4 Cu10 I13 102.70(14) . 4_475
Cu9 Cu10 I13 60.14(2) 4_475 4_475
I14 Cu10 I13 118.88(3) 4_475 4_475
N4 Cu10 I15 107.53(13) . .
Cu9 Cu10 I15 110.54(3) 4_475 .
I14 Cu10 I15 107.93(3) 4_475 .
I13 Cu10 I15 108.92(3) 4_475 .
N4 Cu10 Cu12 142.73(14) . 3_566
Cu9 Cu10 Cu12 61.79(3) 4_475 3_566
I14 Cu10 Cu12 106.84(3) 4_475 3_566
I13 Cu10 Cu12 59.76(2) 4_475 3_566
I15 Cu10 Cu12 57.29(2) . 3_566
N4 Cu10 Cu11 149.76(14) . 3_466
Cu9 Cu10 Cu11 61.40(3) 4_475 3_466
I14 Cu10 Cu11 57.15(2) 4_475 3_466
I13 Cu10 Cu11 107.33(3) 4_475 3_466
I15 Cu10 Cu11 59.18(2) . 3_466
Cu12 Cu10 Cu11 56.68(2) 3_566 3_466
N3 Cu11 I14 118.09(14) . 2_546
N3 Cu11 Cu12 130.64(14) . 1_455
I14 Cu11 Cu12 111.24(3) 2_546 1_455
N3 Cu11 I16 101.50(14) . 2_546
I14 Cu11 I16 112.65(3) 2_546 2_546
Cu12 Cu11 I16 59.01(2) 1_455 2_546
N3 Cu11 I15 102.22(14) . 3_466
I14 Cu11 I15 108.57(3) 2_546 3_466
Cu12 Cu11 I15 58.33(2) 1_455 3_466
I16 Cu11 I15 113.44(3) 2_546 3_466
N3 Cu11 Cu9 151.39(14) . 2_546
I14 Cu11 Cu9 60.23(2) 2_546 2_546
Cu12 Cu11 Cu9 60.99(3) 1_455 2_546
I16 Cu11 Cu9 59.55(2) 2_546 2_546
I15 Cu11 Cu9 105.08(3) 3_466 2_546
N3 Cu11 Cu10 151.54(14) . 3_466
I14 Cu11 Cu10 58.47(2) 2_546 3_466
Cu12 Cu11 Cu10 60.40(3) 1_455 3_466
I16 Cu11 Cu10 105.49(3) 2_546 3_466
I15 Cu11 Cu10 58.60(2) 3_466 3_466
Cu9 Cu11 Cu10 55.43(2) 2_546 3_466
I16 Cu12 I15 119.19(3) 2_646 3_566
I16 Cu12 Cu11 61.02(2) 2_646 1_655
I15 Cu12 Cu11 62.57(2) 3_566 1_655
I16 Cu12 I6 108.40(3) 2_646 .
I15 Cu12 I6 106.27(3) 3_566 .
Cu11 Cu12 I6 147.01(3) 1_655 .
I16 Cu12 I13 109.03(3) 2_646 2_646
I15 Cu12 I13 111.46(3) 3_566 2_646
Cu11 Cu12 I13 112.16(3) 1_655 2_646
I6 Cu12 I13 100.82(2) . 2_646
I16 Cu12 Cu9 60.44(2) 2_646 2_646
I15 Cu12 Cu9 108.86(3) 3_566 2_646
Cu11 Cu12 Cu9 61.80(3) 1_655 2_646
I6 Cu12 Cu9 143.85(3) . 2_646
I13 Cu12 Cu9 58.21(2) 2_646 2_646
I16 Cu12 Cu10 108.93(3) 2_646 3_566
I15 Cu12 Cu10 60.72(2) 3_566 3_566
Cu11 Cu12 Cu10 62.93(3) 1_655 3_566
I6 Cu12 Cu10 141.85(3) . 3_566
I13 Cu12 Cu10 59.32(2) 2_646 3_566
Cu9 Cu12 Cu10 56.39(3) 2_646 3_566
C6 O17 Pr3 133.8(4) . .
C6 O18 Pr3 161.2(4) . 3_566
C12 O10 Pr3 122.8(4) . .
C12 O9 Pr2 169.2(4) . .
C18 O16 Pr3 142.7(4) . .
C18 O15 Pr2 139.6(4) . .
C24 O14 Pr3 165.3(4) . .
C24 O13 Pr2 114.1(4) . .
C30 O12 Pr3 151.1(4) . .
C30 O11 Pr2 134.1(4) . .
C36 O8 Pr2 102.2(3) . .
C36 O7 Pr1 134.9(4) . .
C36 O7 Pr2 86.6(3) . .
Pr1 O7 Pr2 110.26(14) . .
C42 O5 Pr2 128.1(3) . .
C42 O5 Pr1 88.7(3) . .
Pr2 O5 Pr1 112.22(14) . .
C42 O6 Pr1 98.9(3) . .
C48 O3 Pr1 101.0(3) . .
C48 O4 Pr1 158.8(4) . 3_576
C48 O4 Pr1 87.1(3) . .
Pr1 O4 Pr1 103.77(13) 3_576 .
C54 O2 Pr1 141.7(4) . 3_576
C54 O1 Pr1 137.0(4) . .
C55 O21 Pr3 138.9(4) . .
C58 O22 Pr3 130.5(5) . .
C70 O20 Pr2 126.6(7) . .
C67 O19 Pr1 136.9(6) . .
C1 N1 C5 117.3(5) . .
C1 N1 Cu1 118.5(4) . .
C5 N1 Cu1 123.5(4) . .
C11 N2 C7 117.5(5) . .
C11 N2 Cu5 117.7(4) . .
C7 N2 Cu5 124.6(4) . .
C17 N3 C13 117.5(5) . .
C17 N3 Cu11 119.3(4) . .
C13 N3 Cu11 123.2(4) . .
C23 N4 C19 116.6(5) . .
C23 N4 Cu10 124.4(4) . .
C19 N4 Cu10 118.9(4) . .
C29 N5 C25 117.5(5) . .
C29 N5 Cu3 122.9(4) . 4_575
C25 N5 Cu3 119.6(4) . 4_575
C35 N6 C31 116.5(5) . .
C35 N6 Cu9 120.8(4) . .
C31 N6 Cu9 122.3(4) . .
C37 N7 C41 116.9(5) . .
C37 N7 Cu6 122.2(4) . .
C41 N7 Cu6 120.8(4) . .
C47 N8 C43 117.7(5) . .
C47 N8 Cu2 120.4(4) . 2_656
C43 N8 Cu2 121.8(4) . 2_656
C49 N9 C53 117.1(6) . .
C49 N9 Cu7 122.8(4) . 3_676
C53 N9 Cu7 120.0(5) . 3_676
C55 N10 C57 121.3(9) . .
C55 N10 C56 119.9(7) . .
C57 N10 C56 118.5(8) . .
C58 N11 C60 123.7(9) . .
C58 N11 C59 119.2(8) . .
C60 N11 C59 117.1(8) . .
C67 N12 C68 126.1(7) . .
C67 N12 C69 114.4(7) . .
C68 N12 C69 119.5(7) . .
C70 N13 C71 113.5(9) . .
C70 N13 C72 121.8(9) . .
C71 N13 C72 124.5(8) . .
N1 C1 C2 123.1(5) . .
N1 C1 H1A 118.4 . .
C2 C1 H1A 118.4 . .
C1 C2 C3 119.0(5) . .
C1 C2 H2A 120.5 . .
C3 C2 H2A 120.5 . .
C2 C3 C4 118.4(5) . .
C2 C3 C6 120.4(5) . .
C4 C3 C6 121.1(5) . .
C5 C4 C3 119.2(5) . .
C5 C4 H4A 120.4 . .
C3 C4 H4A 120.4 . .
N1 C5 C4 122.9(5) . .
N1 C5 H5A 118.6 . .
C4 C5 H5A 118.6 . .
O17 C6 O18 125.6(5) . .
O17 C6 C3 117.8(5) . .
O18 C6 C3 116.6(5) . .
N2 C7 C8 122.9(5) . .
N2 C7 H7A 118.6 . .
C8 C7 H7A 118.6 . .
C7 C8 C9 118.9(5) . .
C7 C8 H8A 120.5 . .
C9 C8 H8A 120.5 . .
C10 C9 C8 118.2(5) . .
C10 C9 C12 120.1(5) . .
C8 C9 C12 121.7(5) . .
C11 C10 C9 119.2(5) . .
C11 C10 H10A 120.4 . .
C9 C10 H10A 120.4 . .
N2 C11 C10 123.2(5) . .
N2 C11 H11A 118.4 . .
C10 C11 H11A 118.4 . .
O10 C12 O9 125.5(5) . .
O10 C12 C9 118.0(5) . .
O9 C12 C9 116.5(5) . .
N3 C13 C14 123.2(5) . .
N3 C13 H13A 118.4 . .
C14 C13 H13A 118.4 . .
C13 C14 C15 118.9(5) . .
C13 C14 H14A 120.6 . .
C15 C14 H14A 120.6 . .
C14 C15 C16 118.1(5) . .
C14 C15 C18 120.7(5) . .
C16 C15 C18 121.1(5) . .
C17 C16 C15 119.2(5) . .
C17 C16 H16A 120.4 . .
C15 C16 H16A 120.4 . .
N3 C17 C16 123.0(5) . .
N3 C17 H17A 118.5 . .
C16 C17 H17A 118.5 . .
O16 C18 O15 126.6(5) . .
O16 C18 C15 117.6(5) . .
O15 C18 C15 115.7(5) . .
N4 C19 C20 123.5(5) . .
N4 C19 H19A 118.2 . .
C20 C19 H19A 118.2 . .
C21 C20 C19 119.0(5) . .
C21 C20 H20A 120.5 . .
C19 C20 H20A 120.5 . .
C20 C21 C22 118.2(5) . .
C20 C21 C24 121.2(5) . .
C22 C21 C24 120.6(5) . .
C23 C22 C21 119.1(5) . .
C23 C22 H22A 120.5 . .
C21 C22 H22A 120.5 . .
N4 C23 C22 123.5(5) . .
N4 C23 H23A 118.3 . .
C22 C23 H23A 118.3 . .
O14 C24 O13 123.7(6) . .
O14 C24 C21 118.9(5) . .
O13 C24 C21 117.3(5) . .
N5 C25 C26 122.3(6) . .
N5 C25 H25A 118.8 . .
C26 C25 H25A 118.8 . .
C25 C26 C27 119.0(6) . .
C25 C26 H26A 120.5 . .
C27 C26 H26A 120.5 . .
C28 C27 C26 118.5(5) . .
C28 C27 C30 122.0(5) . .
C26 C27 C30 119.4(5) . .
C27 C28 C29 118.8(5) . .
C27 C28 H28A 120.6 . .
C29 C28 H28A 120.6 . .
N5 C29 C28 123.3(5) . .
N5 C29 H29A 118.4 . .
C28 C29 H29A 118.4 . .
O12 C30 O11 126.4(5) . .
O12 C30 C27 116.3(5) . .
O11 C30 C27 117.2(5) . .
N6 C31 C32 124.1(6) . .
N6 C31 H31A 117.9 . .
C32 C31 H31A 117.9 . .
C31 C32 C33 118.7(6) . .
C31 C32 H32A 120.6 . .
C33 C32 H32A 120.6 . .
C34 C33 C32 118.2(5) . .
C34 C33 C36 121.8(5) . .
C32 C33 C36 120.0(5) . .
C33 C34 C35 119.5(5) . .
C33 C34 H34A 120.3 . .
C35 C34 H34A 120.3 . .
N6 C35 C34 122.8(6) . .
N6 C35 H35A 118.6 . .
C34 C35 H35A 118.6 . .
O8 C36 O7 122.4(5) . .
O8 C36 C33 117.9(5) . .
O7 C36 C33 119.7(5) . .
O8 C36 Pr2 54.0(3) . .
O7 C36 Pr2 68.5(3) . .
C33 C36 Pr2 170.5(4) . .
N7 C37 C38 123.6(5) . .
N7 C37 H37A 118.2 . .
C38 C37 H37A 118.2 . .
C39 C38 C37 118.6(5) . .
C39 C38 H38A 120.7 . .
C37 C38 H38A 120.7 . .
C38 C39 C40 118.4(5) . .
C38 C39 C42 121.8(5) . .
C40 C39 C42 119.9(5) . .
C41 C40 C39 119.0(6) . .
C41 C40 H40A 120.5 . .
C39 C40 H40A 120.5 . .
N7 C41 C40 123.3(6) . .
N7 C41 H41A 118.3 . .
C40 C41 H41A 118.3 . .
O6 C42 O5 122.3(5) . .
O6 C42 C39 119.0(5) . .
O5 C42 C39 118.8(5) . .
O6 C42 Pr1 56.6(3) . .
O5 C42 Pr1 65.6(3) . .
C39 C42 Pr1 175.6(4) . .
N8 C43 C44 123.0(6) . .
N8 C43 H43A 118.5 . .
C44 C43 H43A 118.5 . .
C43 C44 C45 118.3(6) . .
C43 C44 H44A 120.8 . .
C45 C44 H44A 120.8 . .
C46 C45 C44 119.1(5) . .
C46 C45 C48 122.0(5) . .
C44 C45 C48 118.8(5) . .
C45 C46 C47 119.1(5) . .
C45 C46 H46A 120.5 . .
C47 C46 H46A 120.5 . .
N8 C47 C46 122.7(5) . .
N8 C47 H47A 118.6 . .
C46 C47 H47A 118.6 . .
O3 C48 O4 123.1(5) . .
O3 C48 C45 117.8(5) . .
O4 C48 C45 119.1(5) . .
O3 C48 Pr1 55.1(3) . .
O4 C48 Pr1 68.0(3) . .
C45 C48 Pr1 172.0(4) . .
N9 C49 C50 123.3(6) . .
N9 C49 H49A 118.3 . .
C50 C49 H49A 118.3 . .
C51 C50 C49 120.2(6) . .
C51 C50 H50A 119.9 . .
C49 C50 H50A 119.9 . .
C50 C51 C52 117.1(6) . .
C50 C51 C54 121.8(5) . .
C52 C51 C54 120.9(6) . .
C53 C52 C51 119.7(7) . .
C53 C52 H52A 120.1 . .
C51 C52 H52A 120.1 . .
N9 C53 C52 122.4(7) . .
N9 C53 H53A 118.8 . .
C52 C53 H53A 118.8 . .
O1 C54 O2 126.1(5) . .
O1 C54 C51 118.2(5) . .
O2 C54 C51 115.7(5) . .
O21 C55 N10 125.6(8) . .
O21 C55 H55A 117.2 . .
N10 C55 H55A 117.2 . .
N10 C56 H56A 109.5 . .
N10 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
N10 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
N10 C57 H57A 109.5 . .
N10 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
N10 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
O22 C58 N11 129.7(9) . .
N11 C59 H59A 109.5 . .
N11 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
N11 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
N11 C60 H60A 109.5 . .
N11 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
N11 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
O19 C67 N12 120.8(9) . .
O19 C67 H67A 119.6 . .
N12 C67 H67A 119.6 . .
N12 C68 H68A 109.5 . .
N12 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
N12 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
N12 C69 H69A 109.5 . .
N12 C69 H69B 109.5 . .
H69A C69 H69B 109.5 . .
N12 C69 H69C 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
O20 C70 N13 124.8(11) . .
O20 C70 H70A 117.6 . .
N13 C70 H70A 117.6 . .
N13 C71 H71A 109.5 . .
N13 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
N13 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
N13 C72 H72A 109.5 . .
N13 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
N13 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
C64 N14 C65 119.3(6) . .
C64 N14 C66 122.2(6) . .
C65 N14 C66 118.1(7) . .
O23 C64 N14 124.1(7) . .
O23 C64 H64A 118.0 . .
N14 C64 H64A 118.0 . .
N14 C65 H65A 109.5 . .
N14 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
N14 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
N14 C66 H66A 109.5 . .
N14 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
N14 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pr3 O18 2.359(4) 3_566
Pr3 O12 2.414(4) .
Pr3 O17 2.419(4) .
Pr3 O14 2.444(4) .
Pr3 O16 2.471(4) .
Pr3 O21 2.472(4) .
Pr3 O10 2.484(4) .
Pr3 O22 2.549(4) .
Pr2 O9 2.348(4) .
Pr2 O15 2.408(4) .
Pr2 O11 2.425(4) .
Pr2 O20 2.444(7) .
Pr2 O13 2.467(4) .
Pr2 O8 2.499(4) .
Pr2 O5 2.560(4) .
Pr2 O7 2.815(4) .
Pr2 C36 3.019(6) .
Pr1 O2 2.406(4) 3_576
Pr1 O19 2.426(6) .
Pr1 O1 2.432(4) .
Pr1 O4 2.449(4) 3_576
Pr1 O7 2.500(4) .
Pr1 O6 2.502(4) .
Pr1 O3 2.509(4) .
Pr1 O5 2.696(4) .
Pr1 O4 2.787(4) .
Pr1 C42 2.959(5) .
Pr1 C48 3.002(6) .
Pr1 Pr1 4.1251(6) 3_576
I5 Cu3 2.5910(8) .
I5 Cu2 2.7027(8) .
I5 Cu1 2.7031(8) .
I6 Cu2 2.6916(8) .
I6 Cu12 2.6935(8) .
I6 Cu1 2.7007(8) .
I6 Cu4 2.7340(8) .
I7 Cu4 2.6655(8) .
I7 Cu2 2.7171(8) .
I7 Cu3 2.7619(9) .
I8 Cu4 2.6146(8) .
I8 Cu3 2.6752(9) .
I8 Cu1 2.7289(8) .
I9 Cu4 2.6341(8) .
I9 Cu6 2.6820(8) 4_676
I9 Cu5 2.7114(8) .
I9 Cu8 2.7219(8) .
I10 Cu5 2.6278(8) .
I10 Cu7 2.6293(8) .
I10 Cu6 2.7705(8) 4_676
I11 Cu8 2.6102(8) 4_475
I11 Cu6 2.6790(8) .
I11 Cu7 2.6868(9) 4_475
I12 Cu8 2.6125(8) .
I12 Cu7 2.7529(9) .
I12 Cu5 2.7720(8) .
I13 Cu9 2.6665(8) .
I13 Cu8 2.6862(8) .
I13 Cu10 2.7133(8) 4_676
I13 Cu12 2.7254(8) 2_656
I14 Cu11 2.6308(8) 2_556
I14 Cu10 2.6693(8) 4_676
I14 Cu9 2.7168(8) .
I15 Cu12 2.6280(8) 3_566
I15 Cu10 2.7241(8) .
I15 Cu11 2.7405(8) 3_466
I16 Cu12 2.6236(8) 2_656
I16 Cu11 2.6772(8) 2_556
I16 Cu9 2.7104(8) .
Cu1 N1 2.007(5) .
Cu1 Cu2 2.5544(10) .
Cu1 Cu3 2.5887(10) .
Cu1 Cu4 2.7965(10) .
Cu2 N8 2.012(5) 2_646
Cu2 Cu3 2.6503(10) .
Cu2 Cu4 2.6766(10) .
Cu3 N5 2.001(5) 4_576
Cu3 Cu4 2.5641(10) .
Cu5 N2 2.009(5) .
Cu5 Cu6 2.5675(10) 4_676
Cu5 Cu7 2.6132(10) .
Cu5 Cu8 2.7625(10) .
Cu6 N7 2.018(5) .
Cu6 Cu5 2.5675(10) 4_475
Cu6 Cu7 2.6437(10) 4_475
Cu6 I9 2.6820(8) 4_475
Cu6 I10 2.7705(8) 4_475
Cu6 Cu8 2.8829(10) 4_475
Cu7 N9 2.007(5) 3_676
Cu7 Cu8 2.6042(10) .
Cu7 Cu6 2.6437(10) 4_676
Cu7 I11 2.6868(9) 4_676
Cu8 I11 2.6102(8) 4_676
Cu8 Cu6 2.8829(10) 4_676
Cu9 N6 2.027(5) .
Cu9 Cu10 2.6053(10) 4_676
Cu9 Cu12 2.7566(10) 2_656
Cu9 Cu11 2.7780(10) 2_556
Cu10 N4 2.025(5) .
Cu10 Cu9 2.6053(10) 4_475
Cu10 I14 2.6693(8) 4_475
Cu10 I13 2.7133(8) 4_475
Cu10 Cu12 2.7571(10) 3_566
Cu10 Cu11 2.8235(10) 3_466
Cu11 N3 2.046(5) .
Cu11 I14 2.6308(8) 2_546
Cu11 Cu12 2.6497(10) 1_455
Cu11 I16 2.6772(8) 2_546
Cu11 I15 2.7405(8) 3_466
Cu11 Cu9 2.7780(10) 2_546
Cu11 Cu10 2.8235(10) 3_466
Cu12 I16 2.6236(8) 2_646
Cu12 I15 2.6280(8) 3_566
Cu12 Cu11 2.6497(10) 1_655
Cu12 I13 2.7254(8) 2_646
Cu12 Cu9 2.7566(10) 2_646
Cu12 Cu10 2.7571(10) 3_566
O17 C6 1.251(7) .
O18 C6 1.256(7) .
O18 Pr3 2.359(4) 3_566
O10 C12 1.236(7) .
O9 C12 1.263(7) .
O16 C18 1.247(7) .
O15 C18 1.262(7) .
O14 C24 1.244(7) .
O13 C24 1.245(7) .
O12 C30 1.237(7) .
O11 C30 1.259(7) .
O8 C36 1.246(7) .
O7 C36 1.272(7) .
O5 C42 1.281(7) .
O6 C42 1.240(7) .
O3 C48 1.236(7) .
O4 C48 1.261(7) .
O4 Pr1 2.449(4) 3_576
O2 C54 1.263(7) .
O2 Pr1 2.406(4) 3_576
O1 C54 1.243(7) .
O21 C55 1.220(8) .
O22 C58 1.212(9) .
O20 C70 1.238(12) .
O19 C67 1.226(10) .
N1 C1 1.341(7) .
N1 C5 1.350(7) .
N2 C11 1.334(8) .
N2 C7 1.348(7) .
N3 C17 1.338(8) .
N3 C13 1.339(8) .
N4 C23 1.340(7) .
N4 C19 1.346(7) .
N5 C29 1.324(8) .
N5 C25 1.345(8) .
N5 Cu3 2.001(5) 4_575
N6 C35 1.345(7) .
N6 C31 1.346(8) .
N7 C37 1.329(7) .
N7 C41 1.346(8) .
N8 C47 1.334(7) .
N8 C43 1.344(8) .
N8 Cu2 2.012(5) 2_656
N9 C49 1.309(8) .
N9 C53 1.346(10) .
N9 Cu7 2.007(5) 3_676
N10 C55 1.327(10) .
N10 C57 1.430(11) .
N10 C56 1.454(13) .
N11 C58 1.291(10) .
N11 C60 1.443(11) .
N11 C59 1.500(13) .
N12 C67 1.348(11) .
N12 C68 1.375(8) .
N12 C69 1.431(7) .
N13 C70 1.381(8) .
N13 C71 1.389(8) .
N13 C72 1.411(8) .
C1 C2 1.381(8) .
C1 H1A 0.9500 .
C2 C3 1.384(8) .
C2 H2A 0.9500 .
C3 C4 1.385(8) .
C3 C6 1.512(7) .
C4 C5 1.375(8) .
C4 H4A 0.9500 .
C5 H5A 0.9500 .
C7 C8 1.381(8) .
C7 H7A 0.9500 .
C8 C9 1.390(8) .
C8 H8A 0.9500 .
C9 C10 1.382(8) .
C9 C12 1.507(7) .
C10 C11 1.379(8) .
C10 H10A 0.9500 .
C11 H11A 0.9500 .
C13 C14 1.385(8) .
C13 H13A 0.9500 .
C14 C15 1.386(8) .
C14 H14A 0.9500 .
C15 C16 1.387(8) .
C15 C18 1.515(8) .
C16 C17 1.382(8) .
C16 H16A 0.9500 .
C17 H17A 0.9500 .
C19 C20 1.382(8) .
C19 H19A 0.9500 .
C20 C21 1.379(8) .
C20 H20A 0.9500 .
C21 C22 1.388(8) .
C21 C24 1.520(8) .
C22 C23 1.381(8) .
C22 H22A 0.9500 .
C23 H23A 0.9500 .
C25 C26 1.375(9) .
C25 H25A 0.9500 .
C26 C27 1.378(9) .
C26 H26A 0.9500 .
C27 C28 1.369(8) .
C27 C30 1.514(8) .
C28 C29 1.376(8) .
C28 H28A 0.9500 .
C29 H29A 0.9500 .
C31 C32 1.372(9) .
C31 H31A 0.9500 .
C32 C33 1.389(8) .
C32 H32A 0.9500 .
C33 C34 1.376(8) .
C33 C36 1.512(8) .
C34 C35 1.389(8) .
C34 H34A 0.9500 .
C35 H35A 0.9500 .
C37 C38 1.384(8) .
C37 H37A 0.9500 .
C38 C39 1.380(8) .
C38 H38A 0.9500 .
C39 C40 1.382(8) .
C39 C42 1.508(7) .
C40 C41 1.371(8) .
C40 H40A 0.9500 .
C41 H41A 0.9500 .
C43 C44 1.378(8) .
C43 H43A 0.9500 .
C44 C45 1.390(8) .
C44 H44A 0.9500 .
C45 C46 1.365(8) .
C45 C48 1.507(8) .
C46 C47 1.386(8) .
C46 H46A 0.9500 .
C47 H47A 0.9500 .
C49 C50 1.374(8) .
C49 H49A 0.9500 .
C50 C51 1.361(8) .
C50 H50A 0.9500 .
C51 C52 1.377(10) .
C51 C54 1.504(8) .
C52 C53 1.375(11) .
C52 H52A 0.9500 .
C53 H53A 0.9500 .
C55 H55A 0.9500 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C67 H67A 0.9500 .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
C69 H69A 0.9800 .
C69 H69B 0.9800 .
C69 H69C 0.9800 .
C70 H70A 0.9500 .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
O23 C64 1.213(6) .
N14 C64 1.362(7) .
N14 C65 1.428(10) .
N14 C66 1.436(9) .
C64 H64A 0.9500 .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Cu2 I6 Cu1 N1 -142.46(15) . .
Cu12 I6 Cu1 N1 -41.84(15) . .
Cu4 I6 Cu1 N1 147.72(15) . .
Cu12 I6 Cu1 Cu2 100.61(3) . .
Cu4 I6 Cu1 Cu2 -69.82(3) . .
Cu2 I6 Cu1 Cu3 41.14(3) . .
Cu12 I6 Cu1 Cu3 141.76(3) . .
Cu4 I6 Cu1 Cu3 -28.67(3) . .
Cu2 I6 Cu1 I5 -22.90(3) . .
Cu12 I6 Cu1 I5 77.71(3) . .
Cu4 I6 Cu1 I5 -92.72(3) . .
Cu2 I6 Cu1 I8 104.49(3) . .
Cu12 I6 Cu1 I8 -154.89(2) . .
Cu4 I6 Cu1 I8 34.67(2) . .
Cu2 I6 Cu1 Cu4 69.82(3) . .
Cu12 I6 Cu1 Cu4 170.43(3) . .
Cu3 I5 Cu1 N1 -142.95(14) . .
Cu2 I5 Cu1 N1 144.27(14) . .
Cu3 I5 Cu1 Cu2 72.78(3) . .
Cu2 I5 Cu1 Cu3 -72.78(3) . .
Cu3 I5 Cu1 I6 95.63(4) . .
Cu2 I5 Cu1 I6 22.84(3) . .
Cu3 I5 Cu1 I8 -28.27(3) . .
Cu2 I5 Cu1 I8 -101.06(3) . .
Cu3 I5 Cu1 Cu4 31.66(3) . .
Cu2 I5 Cu1 Cu4 -41.12(3) . .
Cu4 I8 Cu1 N1 -150.77(14) . .
Cu3 I8 Cu1 N1 141.58(14) . .
Cu4 I8 Cu1 Cu2 28.63(3) . .
Cu3 I8 Cu1 Cu2 -39.01(3) . .
Cu4 I8 Cu1 Cu3 67.64(3) . .
Cu4 I8 Cu1 I6 -36.07(2) . .
Cu3 I8 Cu1 I6 -103.71(3) . .
Cu4 I8 Cu1 I5 95.37(3) . .
Cu3 I8 Cu1 I5 27.72(3) . .
Cu3 I8 Cu1 Cu4 -67.64(3) . .
N1 Cu1 Cu2 N8 1.9(3) . 2_646
Cu3 Cu1 Cu2 N8 144.6(2) . 2_646
I6 Cu1 Cu2 N8 -80.2(2) . 2_646
I5 Cu1 Cu2 N8 77.2(2) . 2_646
I8 Cu1 Cu2 N8 -177.2(2) . 2_646
Cu4 Cu1 Cu2 N8 -149.7(2) . 2_646
N1 Cu1 Cu2 Cu3 -142.7(2) . .
I6 Cu1 Cu2 Cu3 135.28(3) . .
I5 Cu1 Cu2 Cu3 -67.36(2) . .
I8 Cu1 Cu2 Cu3 38.26(3) . .
Cu4 Cu1 Cu2 Cu3 65.78(3) . .
N1 Cu1 Cu2 Cu4 151.5(2) . .
Cu3 Cu1 Cu2 Cu4 -65.78(3) . .
I6 Cu1 Cu2 Cu4 69.49(2) . .
I5 Cu1 Cu2 Cu4 -133.15(3) . .
I8 Cu1 Cu2 Cu4 -27.52(3) . .
N1 Cu1 Cu2 I6 82.0(2) . .
Cu3 Cu1 Cu2 I6 -135.28(3) . .
I5 Cu1 Cu2 I6 157.36(3) . .
I8 Cu1 Cu2 I6 -97.02(3) . .
Cu4 Cu1 Cu2 I6 -69.49(2) . .
N1 Cu1 Cu2 I5 -75.3(2) . .
Cu3 Cu1 Cu2 I5 67.36(2) . .
I6 Cu1 Cu2 I5 -157.36(3) . .
I8 Cu1 Cu2 I5 105.63(3) . .
Cu4 Cu1 Cu2 I5 133.15(3) . .
N1 Cu1 Cu2 I7 -174.2(2) . .
Cu3 Cu1 Cu2 I7 -31.53(3) . .
I6 Cu1 Cu2 I7 103.75(3) . .
I5 Cu1 Cu2 I7 -98.89(3) . .
I8 Cu1 Cu2 I7 6.74(4) . .
Cu4 Cu1 Cu2 I7 34.26(3) . .
Cu12 I6 Cu2 N8 40.69(15) . 2_646
Cu1 I6 Cu2 N8 141.12(15) . 2_646
Cu4 I6 Cu2 N8 -144.07(15) . 2_646
Cu12 I6 Cu2 Cu1 -100.43(3) . .
Cu4 I6 Cu2 Cu1 74.81(3) . .
Cu12 I6 Cu2 Cu3 -139.99(3) . .
Cu1 I6 Cu2 Cu3 -39.56(3) . .
Cu4 I6 Cu2 Cu3 35.26(3) . .
Cu12 I6 Cu2 Cu4 -175.24(3) . .
Cu1 I6 Cu2 Cu4 -74.81(3) . .
Cu12 I6 Cu2 I5 -77.44(3) . .
Cu1 I6 Cu2 I5 22.99(3) . .
Cu4 I6 Cu2 I5 97.80(3) . .
Cu12 I6 Cu2 I7 153.79(3) . .
Cu1 I6 Cu2 I7 -105.78(3) . .
Cu4 I6 Cu2 I7 -30.96(3) . .
Cu3 I5 Cu2 N8 148.02(15) . 2_646
Cu1 I5 Cu2 N8 -141.93(15) . 2_646
Cu3 I5 Cu2 Cu1 -70.06(3) . .
Cu1 I5 Cu2 Cu3 70.06(3) . .
Cu3 I5 Cu2 Cu4 -25.54(3) . .
Cu1 I5 Cu2 Cu4 44.52(3) . .
Cu3 I5 Cu2 I6 -93.07(3) . .
Cu1 I5 Cu2 I6 -23.01(3) . .
Cu3 I5 Cu2 I7 37.52(3) . .
Cu1 I5 Cu2 I7 107.58(3) . .
Cu4 I7 Cu2 N8 146.18(15) . 2_646
Cu3 I7 Cu2 N8 -146.79(15) . 2_646
Cu4 I7 Cu2 Cu1 -36.28(3) . .
Cu3 I7 Cu2 Cu1 30.75(3) . .
Cu4 I7 Cu2 Cu3 -67.03(3) . .
Cu3 I7 Cu2 Cu4 67.03(3) . .
Cu4 I7 Cu2 I6 31.66(3) . .
Cu3 I7 Cu2 I6 98.69(3) . .
Cu4 I7 Cu2 I5 -102.81(3) . .
Cu3 I7 Cu2 I5 -35.78(3) . .
N1 Cu1 Cu3 N5 -19.7(4) . 4_576
Cu2 Cu1 Cu3 N5 -164.4(3) . 4_576
I6 Cu1 Cu3 N5 154.7(3) . 4_576
I5 Cu1 Cu3 N5 -92.0(3) . 4_576
I8 Cu1 Cu3 N5 57.8(3) . 4_576
Cu4 Cu1 Cu3 N5 125.0(3) . 4_576
N1 Cu1 Cu3 Cu4 -144.7(2) . .
Cu2 Cu1 Cu3 Cu4 70.60(3) . .
I6 Cu1 Cu3 Cu4 29.68(3) . .
I5 Cu1 Cu3 Cu4 142.98(3) . .
I8 Cu1 Cu3 Cu4 -67.26(2) . .
N1 Cu1 Cu3 I5 72.3(2) . .
Cu2 Cu1 Cu3 I5 -72.38(3) . .
I6 Cu1 Cu3 I5 -113.29(3) . .
I8 Cu1 Cu3 I5 149.76(3) . .
Cu4 Cu1 Cu3 I5 -142.98(3) . .
N1 Cu1 Cu3 Cu2 144.7(2) . .
I6 Cu1 Cu3 Cu2 -40.92(3) . .
I5 Cu1 Cu3 Cu2 72.38(3) . .
I8 Cu1 Cu3 Cu2 -137.86(3) . .
Cu4 Cu1 Cu3 Cu2 -70.60(3) . .
N1 Cu1 Cu3 I8 -77.5(2) . .
Cu2 Cu1 Cu3 I8 137.86(3) . .
I6 Cu1 Cu3 I8 96.94(3) . .
I5 Cu1 Cu3 I8 -149.76(3) . .
Cu4 Cu1 Cu3 I8 67.26(2) . .
N1 Cu1 Cu3 I7 175.0(2) . .
Cu2 Cu1 Cu3 I7 30.33(3) . .
I6 Cu1 Cu3 I7 -10.58(4) . .
I5 Cu1 Cu3 I7 102.71(3) . .
I8 Cu1 Cu3 I7 -107.53(3) . .
Cu4 Cu1 Cu3 I7 -40.27(3) . .
Cu2 I5 Cu3 N5 -148.94(19) . 4_576
Cu1 I5 Cu3 N5 144.38(19) . 4_576
Cu2 I5 Cu3 Cu4 28.46(3) . .
Cu1 I5 Cu3 Cu4 -38.21(3) . .
Cu2 I5 Cu3 Cu1 66.67(3) . .
Cu1 I5 Cu3 Cu2 -66.67(3) . .
Cu2 I5 Cu3 I8 97.07(3) . .
Cu1 I5 Cu3 I8 30.40(3) . .
Cu2 I5 Cu3 I7 -37.33(3) . .
Cu1 I5 Cu3 I7 -104.00(3) . .
N8 Cu2 Cu3 N5 21.7(4) 2_646 4_576
Cu1 Cu2 Cu3 N5 162.3(3) . 4_576
Cu4 Cu2 Cu3 N5 -120.2(3) . 4_576
I6 Cu2 Cu3 N5 -157.1(3) . 4_576
I5 Cu2 Cu3 N5 88.4(3) . 4_576
I7 Cu2 Cu3 N5 -50.6(3) . 4_576
N8 Cu2 Cu3 Cu4 142.0(3) 2_646 .
Cu1 Cu2 Cu3 Cu4 -77.48(3) . .
I6 Cu2 Cu3 Cu4 -36.85(3) . .
I5 Cu2 Cu3 Cu4 -151.31(3) . .
I7 Cu2 Cu3 Cu4 69.64(3) . .
N8 Cu2 Cu3 Cu1 -140.5(3) 2_646 .
Cu4 Cu2 Cu3 Cu1 77.48(3) . .
I6 Cu2 Cu3 Cu1 40.64(3) . .
I5 Cu2 Cu3 Cu1 -73.82(3) . .
I7 Cu2 Cu3 Cu1 147.12(3) . .
N8 Cu2 Cu3 I5 -66.7(3) 2_646 .
Cu1 Cu2 Cu3 I5 73.82(3) . .
Cu4 Cu2 Cu3 I5 151.31(3) . .
I6 Cu2 Cu3 I5 114.46(3) . .
I7 Cu2 Cu3 I5 -139.05(3) . .
N8 Cu2 Cu3 I8 -179.4(2) 2_646 .
Cu1 Cu2 Cu3 I8 -38.83(3) . .
Cu4 Cu2 Cu3 I8 38.65(3) . .
I6 Cu2 Cu3 I8 1.81(4) . .
I5 Cu2 Cu3 I8 -112.65(3) . .
I7 Cu2 Cu3 I8 108.29(3) . .
N8 Cu2 Cu3 I7 72.4(3) 2_646 .
Cu1 Cu2 Cu3 I7 -147.12(3) . .
Cu4 Cu2 Cu3 I7 -69.64(2) . .
I6 Cu2 Cu3 I7 -106.48(3) . .
I5 Cu2 Cu3 I7 139.05(3) . .
Cu4 I8 Cu3 N5 130.58(16) . 4_576
Cu1 I8 Cu3 N5 -152.87(16) . 4_576
Cu1 I8 Cu3 Cu4 76.54(3) . .
Cu4 I8 Cu3 Cu1 -76.54(3) . .
Cu4 I8 Cu3 I5 -107.09(4) . .
Cu1 I8 Cu3 I5 -30.55(3) . .
Cu4 I8 Cu3 Cu2 -39.52(3) . .
Cu1 I8 Cu3 Cu2 37.02(3) . .
Cu4 I8 Cu3 I7 25.45(3) . .
Cu1 I8 Cu3 I7 101.99(3) . .
Cu4 I7 Cu3 N5 -129.18(16) . 4_576
Cu2 I7 Cu3 N5 158.21(16) . 4_576
Cu2 I7 Cu3 Cu4 -72.60(3) . .
Cu4 I7 Cu3 Cu1 42.91(3) . .
Cu2 I7 Cu3 Cu1 -29.69(3) . .
Cu4 I7 Cu3 I5 110.72(3) . .
Cu2 I7 Cu3 I5 38.12(3) . .
Cu4 I7 Cu3 Cu2 72.60(3) . .
Cu4 I7 Cu3 I8 -25.42(3) . .
Cu2 I7 Cu3 I8 -98.03(3) . .
N5 Cu3 Cu4 I8 -74.9(2) 4_576 .
Cu1 Cu3 Cu4 I8 71.02(3) . .
I5 Cu3 Cu4 I8 108.19(4) . .
Cu2 Cu3 Cu4 I8 136.74(3) . .
I7 Cu3 Cu4 I8 -153.15(3) . .
N5 Cu3 Cu4 I9 -1.4(2) 4_576 .
Cu1 Cu3 Cu4 I9 144.53(6) . .
I5 Cu3 Cu4 I9 -178.30(5) . .
Cu2 Cu3 Cu4 I9 -149.75(7) . .
I8 Cu3 Cu4 I9 73.51(6) . .
I7 Cu3 Cu4 I9 -79.64(6) . .
N5 Cu3 Cu4 I7 78.3(2) 4_576 .
Cu1 Cu3 Cu4 I7 -135.83(3) . .
I5 Cu3 Cu4 I7 -98.66(4) . .
Cu2 Cu3 Cu4 I7 -70.11(3) . .
I8 Cu3 Cu4 I7 153.15(3) . .
N5 Cu3 Cu4 Cu2 148.4(2) 4_576 .
Cu1 Cu3 Cu4 Cu2 -65.72(3) . .
I5 Cu3 Cu4 Cu2 -28.55(3) . .
I8 Cu3 Cu4 Cu2 -136.74(3) . .
I7 Cu3 Cu4 Cu2 70.11(3) . .
N5 Cu3 Cu4 I6 -175.1(2) 4_576 .
Cu1 Cu3 Cu4 I6 -29.23(3) . .
I5 Cu3 Cu4 I6 7.93(5) . .
Cu2 Cu3 Cu4 I6 36.49(3) . .
I8 Cu3 Cu4 I6 -100.25(3) . .
I7 Cu3 Cu4 I6 106.60(3) . .
N5 Cu3 Cu4 Cu1 -145.9(2) 4_576 .
I5 Cu3 Cu4 Cu1 37.16(3) . .
Cu2 Cu3 Cu4 Cu1 65.72(3) . .
I8 Cu3 Cu4 Cu1 -71.02(3) . .
I7 Cu3 Cu4 Cu1 135.83(3) . .
Cu1 I8 Cu4 Cu3 -66.53(3) . .
Cu3 I8 Cu4 I9 -146.47(3) . .
Cu1 I8 Cu4 I9 147.00(3) . .
Cu3 I8 Cu4 I7 -27.90(3) . .
Cu1 I8 Cu4 I7 -94.43(3) . .
Cu3 I8 Cu4 Cu2 39.35(3) . .
Cu1 I8 Cu4 Cu2 -27.18(3) . .
Cu3 I8 Cu4 I6 102.57(3) . .
Cu1 I8 Cu4 I6 36.04(2) . .
Cu3 I8 Cu4 Cu1 66.53(3) . .
Cu6 I9 Cu4 Cu3 157.14(6) 4_676 .
Cu5 I9 Cu4 Cu3 -143.46(6) . .
Cu8 I9 Cu4 Cu3 -143.18(9) . .
Cu6 I9 Cu4 I8 -141.79(3) 4_676 .
Cu5 I9 Cu4 I8 -82.39(3) . .
Cu8 I9 Cu4 I8 -82.11(11) . .
Cu6 I9 Cu4 I7 90.50(3) 4_676 .
Cu5 I9 Cu4 I7 149.89(3) . .
Cu8 I9 Cu4 I7 150.17(9) . .
Cu6 I9 Cu4 Cu2 28.44(7) 4_676 .
Cu5 I9 Cu4 Cu2 87.84(6) . .
Cu8 I9 Cu4 Cu2 88.12(12) . .
Cu6 I9 Cu4 I6 -28.97(3) 4_676 .
Cu5 I9 Cu4 I6 30.43(3) . .
Cu8 I9 Cu4 I6 30.71(11) . .
Cu6 I9 Cu4 Cu1 -83.92(6) 4_676 .
Cu5 I9 Cu4 Cu1 -24.53(6) . .
Cu8 I9 Cu4 Cu1 -24.25(14) . .
Cu2 I7 Cu4 Cu3 69.46(3) . .
Cu2 I7 Cu4 I8 96.96(3) . .
Cu3 I7 Cu4 I8 27.49(3) . .
Cu2 I7 Cu4 I9 -145.40(3) . .
Cu3 I7 Cu4 I9 145.14(4) . .
Cu3 I7 Cu4 Cu2 -69.46(3) . .
Cu2 I7 Cu4 I6 -31.18(3) . .
Cu3 I7 Cu4 I6 -100.65(3) . .
Cu2 I7 Cu4 Cu1 31.33(3) . .
Cu3 I7 Cu4 Cu1 -38.14(3) . .
N8 Cu2 Cu4 Cu3 -143.5(2) 2_646 .
Cu1 Cu2 Cu4 Cu3 68.81(3) . .
I6 Cu2 Cu4 Cu3 139.31(3) . .
I5 Cu2 Cu4 Cu3 25.64(3) . .
I7 Cu2 Cu4 Cu3 -74.31(3) . .
N8 Cu2 Cu4 I8 176.5(2) 2_646 .
Cu1 Cu2 Cu4 I8 28.79(3) . .
Cu3 Cu2 Cu4 I8 -40.02(3) . .
I6 Cu2 Cu4 I8 99.29(3) . .
I5 Cu2 Cu4 I8 -14.38(4) . .
I7 Cu2 Cu4 I8 -114.33(3) . .
N8 Cu2 Cu4 I9 6.5(3) 2_646 .
Cu1 Cu2 Cu4 I9 -141.16(6) . .
Cu3 Cu2 Cu4 I9 150.03(6) . .
I6 Cu2 Cu4 I9 -70.67(6) . .
I5 Cu2 Cu4 I9 175.67(5) . .
I7 Cu2 Cu4 I9 75.72(6) . .
N8 Cu2 Cu4 I7 -69.2(2) 2_646 .
Cu1 Cu2 Cu4 I7 143.12(3) . .
Cu3 Cu2 Cu4 I7 74.31(3) . .
I6 Cu2 Cu4 I7 -146.39(3) . .
I5 Cu2 Cu4 I7 99.95(3) . .
N8 Cu2 Cu4 I6 77.2(2) 2_646 .
Cu1 Cu2 Cu4 I6 -70.49(2) . .
Cu3 Cu2 Cu4 I6 -139.31(3) . .
I5 Cu2 Cu4 I6 -113.67(3) . .
I7 Cu2 Cu4 I6 146.39(3) . .
N8 Cu2 Cu4 Cu1 147.7(2) 2_646 .
Cu3 Cu2 Cu4 Cu1 -68.81(3) . .
I6 Cu2 Cu4 Cu1 70.49(2) . .
I5 Cu2 Cu4 Cu1 -43.17(3) . .
I7 Cu2 Cu4 Cu1 -143.12(3) . .
Cu2 I6 Cu4 Cu3 -36.94(3) . .
Cu12 I6 Cu4 Cu3 -16.24(13) . .
Cu1 I6 Cu4 Cu3 28.92(3) . .
Cu2 I6 Cu4 I8 -102.78(3) . .
Cu12 I6 Cu4 I8 -82.08(12) . .
Cu1 I6 Cu4 I8 -36.92(2) . .
Cu2 I6 Cu4 I9 146.66(3) . .
Cu12 I6 Cu4 I9 167.36(10) . .
Cu1 I6 Cu4 I9 -147.48(3) . .
Cu2 I6 Cu4 I7 31.70(3) . .
Cu12 I6 Cu4 I7 52.41(12) . .
Cu1 I6 Cu4 I7 97.56(3) . .
Cu12 I6 Cu4 Cu2 20.71(12) . .
Cu1 I6 Cu4 Cu2 65.86(3) . .
Cu2 I6 Cu4 Cu1 -65.86(3) . .
Cu12 I6 Cu4 Cu1 -45.16(12) . .
N1 Cu1 Cu4 Cu3 137.6(3) . .
Cu2 Cu1 Cu4 Cu3 -74.51(3) . .
I6 Cu1 Cu4 Cu3 -147.17(3) . .
I5 Cu1 Cu4 Cu3 -32.40(3) . .
I8 Cu1 Cu4 Cu3 74.03(3) . .
N1 Cu1 Cu4 I8 63.6(3) . .
Cu2 Cu1 Cu4 I8 -148.54(3) . .
Cu3 Cu1 Cu4 I8 -74.03(3) . .
I6 Cu1 Cu4 I8 138.80(3) . .
I5 Cu1 Cu4 I8 -106.44(3) . .
N1 Cu1 Cu4 I9 -7.0(3) . .
Cu2 Cu1 Cu4 I9 140.87(6) . .
Cu3 Cu1 Cu4 I9 -144.62(6) . .
I6 Cu1 Cu4 I9 68.21(6) . .
I5 Cu1 Cu4 I9 -177.03(5) . .
I8 Cu1 Cu4 I9 -70.59(6) . .
N1 Cu1 Cu4 I7 178.6(3) . .
Cu2 Cu1 Cu4 I7 -33.50(3) . .
Cu3 Cu1 Cu4 I7 41.01(3) . .
I6 Cu1 Cu4 I7 -106.16(3) . .
I5 Cu1 Cu4 I7 8.60(4) . .
I8 Cu1 Cu4 I7 115.04(3) . .
N1 Cu1 Cu4 Cu2 -147.9(3) . .
Cu3 Cu1 Cu4 Cu2 74.51(3) . .
I6 Cu1 Cu4 Cu2 -72.66(3) . .
I5 Cu1 Cu4 Cu2 42.10(3) . .
I8 Cu1 Cu4 Cu2 148.54(3) . .
N1 Cu1 Cu4 I6 -75.2(3) . .
Cu2 Cu1 Cu4 I6 72.66(3) . .
Cu3 Cu1 Cu4 I6 147.17(3) . .
I5 Cu1 Cu4 I6 114.76(3) . .
I8 Cu1 Cu4 I6 -138.80(3) . .
Cu7 I10 Cu5 N2 145.19(15) . .
Cu6 I10 Cu5 N2 -144.60(15) 4_676 .
Cu7 I10 Cu5 Cu6 -70.22(3) . 4_676
Cu6 I10 Cu5 Cu7 70.22(3) 4_676 .
Cu7 I10 Cu5 I9 -92.33(4) . .
Cu6 I10 Cu5 I9 -22.11(3) 4_676 .
Cu7 I10 Cu5 Cu8 -24.93(3) . .
Cu6 I10 Cu5 Cu8 45.29(3) 4_676 .
Cu7 I10 Cu5 I12 36.17(3) . .
Cu6 I10 Cu5 I12 106.39(3) 4_676 .
Cu4 I9 Cu5 N2 43.36(14) . .
Cu6 I9 Cu5 N2 146.58(14) 4_676 .
Cu8 I9 Cu5 N2 -136.56(14) . .
Cu4 I9 Cu5 Cu6 -103.23(3) . 4_676
Cu8 I9 Cu5 Cu6 76.85(3) . 4_676
Cu4 I9 Cu5 Cu7 -145.39(3) . .
Cu6 I9 Cu5 Cu7 -42.16(3) 4_676 .
Cu8 I9 Cu5 Cu7 34.69(3) . .
Cu4 I9 Cu5 I10 -80.38(4) . .
Cu6 I9 Cu5 I10 22.85(3) 4_676 .
Cu8 I9 Cu5 I10 99.70(4) . .
Cu4 I9 Cu5 Cu8 179.92(3) . .
Cu6 I9 Cu5 Cu8 -76.85(3) 4_676 .
Cu4 I9 Cu5 I12 149.90(3) . .
Cu6 I9 Cu5 I12 -106.87(3) 4_676 .
Cu8 I9 Cu5 I12 -30.02(2) . .
Cu8 I12 Cu5 N2 141.50(14) . .
Cu7 I12 Cu5 N2 -149.89(14) . .
Cu8 I12 Cu5 Cu6 -34.19(3) . 4_676
Cu7 I12 Cu5 Cu6 34.43(3) . 4_676
Cu8 I12 Cu5 Cu7 -68.62(3) . .
Cu8 I12 Cu5 I10 -104.31(3) . .
Cu7 I12 Cu5 I10 -35.69(3) . .
Cu8 I12 Cu5 I9 31.24(2) . .
Cu7 I12 Cu5 I9 99.85(3) . .
Cu7 I12 Cu5 Cu8 68.62(3) . .
Cu8 I11 Cu6 N7 152.55(16) 4_475 .
Cu7 I11 Cu6 N7 -140.59(16) 4_475 .
Cu8 I11 Cu6 Cu5 -30.06(3) 4_475 4_475
Cu7 I11 Cu6 Cu5 36.80(3) 4_475 4_475
Cu8 I11 Cu6 Cu7 -66.86(3) 4_475 4_475
Cu8 I11 Cu6 I9 34.90(2) 4_475 4_475
Cu7 I11 Cu6 I9 101.76(3) 4_475 4_475
Cu8 I11 Cu6 I10 -93.44(3) 4_475 4_475
Cu7 I11 Cu6 I10 -26.58(3) 4_475 4_475
Cu7 I11 Cu6 Cu8 66.86(3) 4_475 4_475
N2 Cu5 Cu7 N9 -0.8(4) . 3_676
Cu6 Cu5 Cu7 N9 152.5(3) 4_676 3_676
I10 Cu5 Cu7 N9 77.2(3) . 3_676
I9 Cu5 Cu7 N9 -165.5(3) . 3_676
Cu8 Cu5 Cu7 N9 -130.1(3) . 3_676
I12 Cu5 Cu7 N9 -63.8(3) . 3_676
N2 Cu5 Cu7 Cu8 129.2(3) . .
Cu6 Cu5 Cu7 Cu8 -77.42(3) 4_676 .
I10 Cu5 Cu7 Cu8 -152.71(3) . .
I9 Cu5 Cu7 Cu8 -35.44(3) . .
I12 Cu5 Cu7 Cu8 66.22(2) . .
N2 Cu5 Cu7 I10 -78.1(3) . .
Cu6 Cu5 Cu7 I10 75.29(3) 4_676 .
I9 Cu5 Cu7 I10 117.28(3) . .
Cu8 Cu5 Cu7 I10 152.71(3) . .
I12 Cu5 Cu7 I10 -141.07(3) . .
N2 Cu5 Cu7 Cu6 -153.3(3) . 4_676
I10 Cu5 Cu7 Cu6 -75.29(3) . 4_676
I9 Cu5 Cu7 Cu6 41.98(3) . 4_676
Cu8 Cu5 Cu7 Cu6 77.42(3) . 4_676
I12 Cu5 Cu7 Cu6 143.64(3) . 4_676
N2 Cu5 Cu7 I11 170.2(2) . 4_676
Cu6 Cu5 Cu7 I11 -36.47(3) 4_676 4_676
I10 Cu5 Cu7 I11 -111.76(3) . 4_676
I9 Cu5 Cu7 I11 5.51(4) . 4_676
Cu8 Cu5 Cu7 I11 40.95(3) . 4_676
I12 Cu5 Cu7 I11 107.17(3) . 4_676
N2 Cu5 Cu7 I12 63.0(2) . .
Cu6 Cu5 Cu7 I12 -143.64(3) 4_676 .
I10 Cu5 Cu7 I12 141.07(3) . .
I9 Cu5 Cu7 I12 -101.66(3) . .
Cu8 Cu5 Cu7 I12 -66.22(2) . .
Cu5 I10 Cu7 N9 -148.8(2) . 3_676
Cu6 I10 Cu7 N9 144.0(2) 4_676 3_676
Cu5 I10 Cu7 Cu8 27.89(3) . .
Cu6 I10 Cu7 Cu8 -39.35(3) 4_676 .
Cu6 I10 Cu7 Cu5 -67.23(3) 4_676 .
Cu5 I10 Cu7 Cu6 67.23(3) . 4_676
Cu5 I10 Cu7 I11 95.60(3) . 4_676
Cu6 I10 Cu7 I11 28.37(3) 4_676 4_676
Cu5 I10 Cu7 I12 -36.62(3) . .
Cu6 I10 Cu7 I12 -103.86(3) 4_676 .
Cu8 I12 Cu7 N9 -132.27(16) . 3_676
Cu5 I12 Cu7 N9 152.66(16) . 3_676
Cu5 I12 Cu7 Cu8 -75.07(3) . .
Cu8 I12 Cu7 Cu5 75.07(3) . .
Cu8 I12 Cu7 I10 110.90(3) . .
Cu5 I12 Cu7 I10 35.82(3) . .
Cu8 I12 Cu7 Cu6 42.24(3) . 4_676
Cu5 I12 Cu7 Cu6 -32.83(3) . 4_676
Cu8 I12 Cu7 I11 -23.43(3) . 4_676
Cu5 I12 Cu7 I11 -98.51(3) . 4_676
N9 Cu7 Cu8 I11 -77.8(2) 3_676 4_676
Cu5 Cu7 Cu8 I11 133.28(3) . 4_676
I10 Cu7 Cu8 I11 106.43(4) . 4_676
Cu6 Cu7 Cu8 I11 68.30(3) 4_676 4_676
I12 Cu7 Cu8 I11 -154.74(3) . 4_676
N9 Cu7 Cu8 I12 77.0(2) 3_676 .
Cu5 Cu7 Cu8 I12 -71.98(3) . .
I10 Cu7 Cu8 I12 -98.83(4) . .
Cu6 Cu7 Cu8 I12 -136.96(3) 4_676 .
I11 Cu7 Cu8 I12 154.74(3) 4_676 .
N9 Cu7 Cu8 I13 -3.2(3) 3_676 .
Cu5 Cu7 Cu8 I13 -152.13(8) . .
I10 Cu7 Cu8 I13 -178.98(5) . .
Cu6 Cu7 Cu8 I13 142.88(7) 4_676 .
I11 Cu7 Cu8 I13 74.58(7) 4_676 .
I12 Cu7 Cu8 I13 -80.15(7) . .
N9 Cu7 Cu8 I9 -175.8(2) 3_676 .
Cu5 Cu7 Cu8 I9 35.27(3) . .
I10 Cu7 Cu8 I9 8.42(5) . .
Cu6 Cu7 Cu8 I9 -29.72(3) 4_676 .
I11 Cu7 Cu8 I9 -98.01(3) 4_676 .
I12 Cu7 Cu8 I9 107.25(3) . .
N9 Cu7 Cu8 Cu5 149.0(3) 3_676 .
I10 Cu7 Cu8 Cu5 -26.85(3) . .
Cu6 Cu7 Cu8 Cu5 -64.98(3) 4_676 .
I11 Cu7 Cu8 Cu5 -133.28(3) 4_676 .
I12 Cu7 Cu8 Cu5 71.98(3) . .
N9 Cu7 Cu8 Cu6 -146.1(3) 3_676 4_676
Cu5 Cu7 Cu8 Cu6 64.98(3) . 4_676
I10 Cu7 Cu8 Cu6 38.13(3) . 4_676
I11 Cu7 Cu8 Cu6 -68.30(3) 4_676 4_676
I12 Cu7 Cu8 Cu6 136.96(3) . 4_676
Cu5 I12 Cu8 Cu7 66.22(3) . .
Cu7 I12 Cu8 I11 25.95(3) . 4_676
Cu5 I12 Cu8 I11 92.17(3) . 4_676
Cu7 I12 Cu8 I13 149.76(4) . .
Cu5 I12 Cu8 I13 -144.02(3) . .
Cu7 I12 Cu8 I9 -98.35(3) . .
Cu5 I12 Cu8 I9 -32.13(3) . .
Cu7 I12 Cu8 Cu5 -66.22(3) . .
Cu7 I12 Cu8 Cu6 -37.22(3) . 4_676
Cu5 I12 Cu8 Cu6 29.00(3) . 4_676
Cu9 I13 Cu8 Cu7 153.35(7) . .
Cu10 I13 Cu8 Cu7 -143.16(7) 4_676 .
Cu12 I13 Cu8 Cu7 -151.07(18) 2_656 .
Cu9 I13 Cu8 I11 -143.60(3) . 4_676
Cu10 I13 Cu8 I11 -80.12(3) 4_676 4_676
Cu12 I13 Cu8 I11 -88.0(2) 2_656 4_676
Cu9 I13 Cu8 I12 84.92(3) . .
Cu10 I13 Cu8 I12 148.40(3) 4_676 .
Cu12 I13 Cu8 I12 140.50(19) 2_656 .
Cu9 I13 Cu8 I9 -33.88(3) . .
Cu10 I13 Cu8 I9 29.60(3) 4_676 .
Cu12 I13 Cu8 I9 21.7(2) 2_656 .
Cu9 I13 Cu8 Cu5 18.09(7) . .
Cu10 I13 Cu8 Cu5 81.57(6) 4_676 .
Cu12 I13 Cu8 Cu5 73.7(2) 2_656 .
Cu9 I13 Cu8 Cu6 -84.05(6) . 4_676
Cu10 I13 Cu8 Cu6 -20.56(6) 4_676 4_676
Cu12 I13 Cu8 Cu6 -28.5(2) 2_656 4_676
Cu4 I9 Cu8 Cu7 -35.12(12) . .
Cu6 I9 Cu8 Cu7 29.81(3) 4_676 .
Cu5 I9 Cu8 Cu7 -34.81(3) . .
Cu4 I9 Cu8 I11 -99.83(10) . 4_676
Cu6 I9 Cu8 I11 -34.90(2) 4_676 4_676
Cu5 I9 Cu8 I11 -99.52(3) . 4_676
Cu4 I9 Cu8 I12 32.81(12) . .
Cu6 I9 Cu8 I12 97.74(3) 4_676 .
Cu5 I9 Cu8 I12 33.12(3) . .
Cu4 I9 Cu8 I13 148.54(9) . .
Cu6 I9 Cu8 I13 -146.53(3) 4_676 .
Cu5 I9 Cu8 I13 148.85(3) . .
Cu4 I9 Cu8 Cu5 -0.31(11) . .
Cu6 I9 Cu8 Cu5 64.62(3) 4_676 .
Cu4 I9 Cu8 Cu6 -64.93(10) . 4_676
Cu5 I9 Cu8 Cu6 -64.62(3) . 4_676
N2 Cu5 Cu8 Cu7 -140.4(2) . .
Cu6 Cu5 Cu8 Cu7 70.45(3) 4_676 .
I10 Cu5 Cu8 Cu7 25.59(3) . .
I9 Cu5 Cu8 Cu7 139.99(3) . .
I12 Cu5 Cu8 Cu7 -74.88(3) . .
N2 Cu5 Cu8 I11 177.7(2) . 4_676
Cu6 Cu5 Cu8 I11 28.59(3) 4_676 4_676
Cu7 Cu5 Cu8 I11 -41.86(3) . 4_676
I10 Cu5 Cu8 I11 -16.26(4) . 4_676
I9 Cu5 Cu8 I11 98.13(3) . 4_676
I12 Cu5 Cu8 I11 -116.74(3) . 4_676
N2 Cu5 Cu8 I12 -65.5(2) . .
Cu6 Cu5 Cu8 I12 145.33(3) 4_676 .
Cu7 Cu5 Cu8 I12 74.88(3) . .
I10 Cu5 Cu8 I12 100.47(3) . .
I9 Cu5 Cu8 I12 -145.13(3) . .
N2 Cu5 Cu8 I13 15.9(2) . .
Cu6 Cu5 Cu8 I13 -133.26(6) 4_676 .
Cu7 Cu5 Cu8 I13 156.29(6) . .
I10 Cu5 Cu8 I13 -178.11(4) . .
I9 Cu5 Cu8 I13 -63.72(5) . .
I12 Cu5 Cu8 I13 81.41(6) . .
N2 Cu5 Cu8 I9 79.6(2) . .
Cu6 Cu5 Cu8 I9 -69.54(2) 4_676 .
Cu7 Cu5 Cu8 I9 -139.99(3) . .
I10 Cu5 Cu8 I9 -114.39(3) . .
I12 Cu5 Cu8 I9 145.13(3) . .
N2 Cu5 Cu8 Cu6 149.2(2) . 4_676
Cu7 Cu5 Cu8 Cu6 -70.45(3) . 4_676
I10 Cu5 Cu8 Cu6 -44.85(3) . 4_676
I9 Cu5 Cu8 Cu6 69.54(3) . 4_676
I12 Cu5 Cu8 Cu6 -145.33(3) . 4_676
Cu8 I13 Cu9 N6 -38.72(15) . .
Cu10 I13 Cu9 N6 -139.97(15) 4_676 .
Cu12 I13 Cu9 N6 148.22(15) 2_656 .
Cu8 I13 Cu9 Cu10 101.26(3) . 4_676
Cu12 I13 Cu9 Cu10 -71.81(3) 2_656 4_676
Cu8 I13 Cu9 I16 -154.22(3) . .
Cu10 I13 Cu9 I16 104.52(3) 4_676 .
Cu12 I13 Cu9 I16 32.72(2) 2_656 .
Cu8 I13 Cu9 I14 80.89(4) . .
Cu10 I13 Cu9 I14 -20.37(3) 4_676 .
Cu12 I13 Cu9 I14 -92.17(3) 2_656 .
Cu8 I13 Cu9 Cu12 173.06(3) . 2_656
Cu10 I13 Cu9 Cu12 71.81(3) 4_676 2_656
Cu8 I13 Cu9 Cu11 143.66(3) . 2_556
Cu10 I13 Cu9 Cu11 42.40(3) 4_676 2_556
Cu12 I13 Cu9 Cu11 -29.40(3) 2_656 2_556
Cu12 I16 Cu9 N6 -149.41(15) 2_656 .
Cu11 I16 Cu9 N6 141.74(15) 2_556 .
Cu12 I16 Cu9 Cu10 32.26(3) 2_656 4_676
Cu11 I16 Cu9 Cu10 -36.59(3) 2_556 4_676
Cu12 I16 Cu9 I13 -33.89(2) 2_656 .
Cu11 I16 Cu9 I13 -102.74(3) 2_556 .
Cu12 I16 Cu9 I14 96.67(3) 2_656 .
Cu11 I16 Cu9 I14 27.83(3) 2_556 .
Cu11 I16 Cu9 Cu12 -68.84(3) 2_556 2_656
Cu12 I16 Cu9 Cu11 68.84(3) 2_656 2_556
Cu11 I14 Cu9 N6 -143.23(16) 2_556 .
Cu10 I14 Cu9 N6 141.21(16) 4_676 .
Cu11 I14 Cu9 Cu10 75.56(3) 2_556 4_676
Cu11 I14 Cu9 I13 96.30(3) 2_556 .
Cu10 I14 Cu9 I13 20.74(3) 4_676 .
Cu11 I14 Cu9 I16 -28.22(3) 2_556 .
Cu10 I14 Cu9 I16 -103.79(3) 4_676 .
Cu11 I14 Cu9 Cu12 32.01(3) 2_556 2_656
Cu10 I14 Cu9 Cu12 -43.56(3) 4_676 2_656
Cu10 I14 Cu9 Cu11 -75.56(3) 4_676 2_556
Cu12 I15 Cu10 N4 -142.09(15) 3_566 .
Cu11 I15 Cu10 N4 150.06(15) 3_466 .
Cu12 I15 Cu10 Cu9 32.81(3) 3_566 4_475
Cu11 I15 Cu10 Cu9 -35.03(3) 3_466 4_475
Cu12 I15 Cu10 I14 98.87(3) 3_566 4_475
Cu11 I15 Cu10 I14 31.02(2) 3_466 4_475
Cu12 I15 Cu10 I13 -31.49(2) 3_566 4_475
Cu11 I15 Cu10 I13 -99.33(3) 3_466 4_475
Cu11 I15 Cu10 Cu12 -67.85(3) 3_466 3_566
Cu12 I15 Cu10 Cu11 67.85(3) 3_566 3_466
Cu2 I6 Cu12 I16 -87.46(3) . 2_646
Cu1 I6 Cu12 I16 -147.50(3) . 2_646
Cu4 I6 Cu12 I16 -106.16(11) . 2_646
Cu2 I6 Cu12 I15 143.30(3) . 3_566
Cu1 I6 Cu12 I15 83.27(3) . 3_566
Cu4 I6 Cu12 I15 124.61(11) . 3_566
Cu2 I6 Cu12 Cu11 -152.29(6) . 1_655
Cu1 I6 Cu12 Cu11 147.68(6) . 1_655
Cu4 I6 Cu12 Cu11 -170.99(9) . 1_655
Cu2 I6 Cu12 I13 26.96(3) . 2_646
Cu1 I6 Cu12 I13 -33.08(3) . 2_646
Cu4 I6 Cu12 I13 8.26(13) . 2_646
Cu2 I6 Cu12 Cu9 -22.67(6) . 2_646
Cu1 I6 Cu12 Cu9 -82.71(6) . 2_646
Cu4 I6 Cu12 Cu9 -41.37(15) . 2_646
Cu2 I6 Cu12 Cu10 80.26(5) . 3_566
Cu1 I6 Cu12 Cu10 20.22(6) . 3_566
Cu4 I6 Cu12 Cu10 61.56(14) . 3_566
O18 Pr3 O17 C6 -78.1(5) 3_566 .
O12 Pr3 O17 C6 126.6(5) . .
O14 Pr3 O17 C6 -18.3(6) . .
O16 Pr3 O17 C6 10.5(5) . .
O21 Pr3 O17 C6 166.8(5) . .
O10 Pr3 O17 C6 94.1(5) . .
O22 Pr3 O17 C6 -137.9(5) . .
O18 Pr3 O10 C12 -118.4(4) 3_566 .
O12 Pr3 O10 C12 67.0(4) . .
O17 Pr3 O10 C12 -135.0(4) . .
O14 Pr3 O10 C12 7.3(5) . .
O16 Pr3 O10 C12 -57.7(4) . .
O21 Pr3 O10 C12 150.5(4) . .
O22 Pr3 O10 C12 108.8(4) . .
O15 Pr2 O9 C12 86(2) . .
O11 Pr2 O9 C12 -53(2) . .
O20 Pr2 O9 C12 137(2) . .
O13 Pr2 O9 C12 27(2) . .
O8 Pr2 O9 C12 169(2) . .
O5 Pr2 O9 C12 -98(2) . .
O7 Pr2 O9 C12 -141(2) . .
C36 Pr2 O9 C12 -167(2) . .
O18 Pr3 O16 C18 -104.0(6) 3_566 .
O12 Pr3 O16 C18 38.8(6) . .
O17 Pr3 O16 C18 177.2(6) . .
O14 Pr3 O16 C18 -20.4(6) . .
O21 Pr3 O16 C18 142.0(6) . .
O10 Pr3 O16 C18 99.9(6) . .
O22 Pr3 O16 C18 -60.7(7) . .
O9 Pr2 O15 C18 -51.0(6) . .
O11 Pr2 O15 C18 7.2(6) . .
O20 Pr2 O15 C18 154.4(6) . .
O13 Pr2 O15 C18 82.7(6) . .
O8 Pr2 O15 C18 -130.0(6) . .
O5 Pr2 O15 C18 134.4(5) . .
O7 Pr2 O15 C18 -113.7(6) . .
C36 Pr2 O15 C18 -121.9(6) . .
O18 Pr3 O14 C24 57.3(17) 3_566 .
O12 Pr3 O14 C24 -158.2(18) . .
O17 Pr3 O14 C24 -1.3(18) . .
O16 Pr3 O14 C24 -30.6(17) . .
O21 Pr3 O14 C24 170.2(16) . .
O10 Pr3 O14 C24 -100.4(17) . .
O22 Pr3 O14 C24 128.8(17) . .
O9 Pr2 O13 C24 -11.4(5) . .
O15 Pr2 O13 C24 -71.4(4) . .
O11 Pr2 O13 C24 61.2(4) . .
O20 Pr2 O13 C24 -158.4(5) . .
O8 Pr2 O13 C24 -124.7(4) . .
O5 Pr2 O13 C24 130.3(4) . .
O7 Pr2 O13 C24 141.5(4) . .
C36 Pr2 O13 C24 -155.5(4) . .
O18 Pr3 O12 C30 90.8(8) 3_566 .
O17 Pr3 O12 C30 -126.5(8) . .
O14 Pr3 O12 C30 32.4(8) . .
O16 Pr3 O12 C30 -26.2(8) . .
O21 Pr3 O12 C30 -165.1(8) . .
O10 Pr3 O12 C30 -92.8(8) . .
O22 Pr3 O12 C30 119.8(8) . .
O9 Pr2 O11 C30 32.5(5) . .
O15 Pr2 O11 C30 -26.2(6) . .
O20 Pr2 O11 C30 -155.0(5) . .
O13 Pr2 O11 C30 -94.2(5) . .
O8 Pr2 O11 C30 91.0(5) . .
O5 Pr2 O11 C30 177.4(5) . .
O7 Pr2 O11 C30 110.1(5) . .
C36 Pr2 O11 C30 100.8(5) . .
O9 Pr2 O8 C36 81.3(4) . .
O15 Pr2 O8 C36 160.2(4) . .
O11 Pr2 O8 C36 23.4(4) . .
O20 Pr2 O8 C36 -115.9(4) . .
O13 Pr2 O8 C36 -148.8(3) . .
O5 Pr2 O8 C36 -48.3(4) . .
O7 Pr2 O8 C36 -2.4(3) . .
O2 Pr1 O7 C36 -13.2(5) 3_576 .
O19 Pr1 O7 C36 157.8(6) . .
O1 Pr1 O7 C36 129.3(5) . .
O4 Pr1 O7 C36 -41.6(6) 3_576 .
O6 Pr1 O7 C36 -135.9(5) . .
O3 Pr1 O7 C36 89.3(5) . .
O5 Pr1 O7 C36 -101.8(5) . .
O4 Pr1 O7 C36 46.7(5) . .
C42 Pr1 O7 C36 -119.3(5) . .
C48 Pr1 O7 C36 68.5(5) . .
Pr1 Pr1 O7 C36 15.7(6) 3_576 .
O2 Pr1 O7 Pr2 92.94(17) 3_576 .
O19 Pr1 O7 Pr2 -96.06(19) . .
O1 Pr1 O7 Pr2 -124.6(2) . .
O4 Pr1 O7 Pr2 64.6(2) 3_576 .
O6 Pr1 O7 Pr2 -29.70(17) . .
O3 Pr1 O7 Pr2 -164.56(16) . .
O5 Pr1 O7 Pr2 4.35(12) . .
O4 Pr1 O7 Pr2 152.91(13) . .
C42 Pr1 O7 Pr2 -13.17(16) . .
C48 Pr1 O7 Pr2 174.67(15) . .
Pr1 Pr1 O7 Pr2 121.90(10) 3_576 .
O9 Pr2 O7 C36 -82.2(3) . .
O15 Pr2 O7 C36 -19.4(4) . .
O11 Pr2 O7 C36 -158.5(3) . .
O20 Pr2 O7 C36 65.0(4) . .
O13 Pr2 O7 C36 120.2(4) . .
O8 Pr2 O7 C36 2.3(3) . .
O5 Pr2 O7 C36 132.4(3) . .
O9 Pr2 O7 Pr1 140.74(17) . .
O15 Pr2 O7 Pr1 -156.44(14) . .
O11 Pr2 O7 Pr1 64.43(15) . .
O20 Pr2 O7 Pr1 -72.0(2) . .
O13 Pr2 O7 Pr1 -16.8(4) . .
O8 Pr2 O7 Pr1 -134.8(2) . .
O5 Pr2 O7 Pr1 -4.67(13) . .
C36 Pr2 O7 Pr1 -137.0(4) . .
O9 Pr2 O5 C42 64.4(5) . .
O15 Pr2 O5 C42 -122.5(4) . .
O11 Pr2 O5 C42 17.1(4) . .
O20 Pr2 O5 C42 -143.4(5) . .
O13 Pr2 O5 C42 -73.8(4) . .
O8 Pr2 O5 C42 147.0(4) . .
O7 Pr2 O5 C42 111.2(4) . .
C36 Pr2 O5 C42 129.4(4) . .
O9 Pr2 O5 Pr1 -42.4(2) . .
O15 Pr2 O5 Pr1 130.7(2) . .
O11 Pr2 O5 Pr1 -89.70(16) . .
O20 Pr2 O5 Pr1 109.8(2) . .
O13 Pr2 O5 Pr1 179.36(17) . .
O8 Pr2 O5 Pr1 40.16(17) . .
O7 Pr2 O5 Pr1 4.39(12) . .
C36 Pr2 O5 Pr1 22.57(16) . .
O2 Pr1 O5 C42 152.5(3) 3_576 .
O19 Pr1 O5 C42 -67.2(3) . .
O1 Pr1 O5 C42 11.9(4) . .
O4 Pr1 O5 C42 79.5(3) 3_576 .
O7 Pr1 O5 C42 -135.9(3) . .
O6 Pr1 O5 C42 -0.1(3) . .
O3 Pr1 O5 C42 -113.1(4) . .
O4 Pr1 O5 C42 134.4(3) . .
C48 Pr1 O5 C42 -168.3(4) . .
Pr1 Pr1 O5 C42 98.8(3) 3_576 .
O2 Pr1 O5 Pr2 -76.40(16) 3_576 .
O19 Pr1 O5 Pr2 63.85(19) . .
O1 Pr1 O5 Pr2 142.96(15) . .
O4 Pr1 O5 Pr2 -149.48(16) 3_576 .
O7 Pr1 O5 Pr2 -4.85(14) . .
O6 Pr1 O5 Pr2 130.9(2) . .
O3 Pr1 O5 Pr2 17.9(3) . .
O4 Pr1 O5 Pr2 -94.5(2) . .
C42 Pr1 O5 Pr2 131.1(4) . .
C48 Pr1 O5 Pr2 -37.2(5) . .
Pr1 Pr1 O5 Pr2 -130.13(10) 3_576 .
O2 Pr1 O6 C42 -34.0(4) 3_576 .
O19 Pr1 O6 C42 107.5(4) . .
O1 Pr1 O6 C42 -170.1(3) . .
O4 Pr1 O6 C42 -94.2(3) 3_576 .
O7 Pr1 O6 C42 43.4(3) . .
O3 Pr1 O6 C42 140.3(3) . .
O5 Pr1 O6 C42 0.1(3) . .
O4 Pr1 O6 C42 -141.0(3) . .
C48 Pr1 O6 C42 173.3(3) . .
Pr1 Pr1 O6 C42 -112.4(3) 3_576 .
O2 Pr1 O3 C48 -50.7(4) 3_576 .
O19 Pr1 O3 C48 168.4(4) . .
O1 Pr1 O3 C48 82.5(4) . .
O4 Pr1 O3 C48 24.6(4) 3_576 .
O7 Pr1 O3 C48 -119.0(4) . .
O6 Pr1 O3 C48 133.9(3) . .
O5 Pr1 O3 C48 -140.5(3) . .
O4 Pr1 O3 C48 1.6(3) . .
C42 Pr1 O3 C48 166.1(3) . .
Pr1 Pr1 O3 C48 13.1(3) 3_576 .
O2 Pr1 O4 C48 122.0(3) 3_576 .
O19 Pr1 O4 C48 -14.9(4) . .
O1 Pr1 O4 C48 -83.7(3) . .
O4 Pr1 O4 C48 -161.5(4) 3_576 .
O7 Pr1 O4 C48 61.7(3) . .
O6 Pr1 O4 C48 -113.9(3) . .
O3 Pr1 O4 C48 -1.5(3) . .
O5 Pr1 O4 C48 141.1(3) . .
C42 Pr1 O4 C48 -160.1(4) . .
Pr1 Pr1 O4 C48 -161.5(4) 3_576 .
O2 Pr1 O4 Pr1 -76.50(16) 3_576 3_576
O19 Pr1 O4 Pr1 146.61(18) . 3_576
O1 Pr1 O4 Pr1 77.84(16) . 3_576
O4 Pr1 O4 Pr1 0.0 3_576 3_576
O7 Pr1 O4 Pr1 -136.73(14) . 3_576
O6 Pr1 O4 Pr1 47.7(3) . 3_576
O3 Pr1 O4 Pr1 160.0(2) . 3_576
O5 Pr1 O4 Pr1 -57.3(3) . 3_576
C42 Pr1 O4 Pr1 1.5(4) . 3_576
C48 Pr1 O4 Pr1 161.5(4) . 3_576
O2 Pr1 O1 C54 -0.9(7) 3_576 .
O19 Pr1 O1 C54 -155.8(6) . .
O4 Pr1 O1 C54 45.2(6) 3_576 .
O7 Pr1 O1 C54 -128.5(5) . .
O6 Pr1 O1 C54 128.0(6) . .
O3 Pr1 O1 C54 -86.5(6) . .
O5 Pr1 O1 C54 118.6(6) . .
O4 Pr1 O1 C54 -35.1(6) . .
C42 Pr1 O1 C54 123.8(6) . .
C48 Pr1 O1 C54 -61.3(6) . .
Pr1 Pr1 O1 C54 2.3(5) 3_576 .
O18 Pr3 O21 C55 -166.8(7) 3_566 .
O12 Pr3 O21 C55 57.0(7) . .
O17 Pr3 O21 C55 -97.4(7) . .
O14 Pr3 O21 C55 88.0(7) . .
O16 Pr3 O21 C55 -61.1(7) . .
O10 Pr3 O21 C55 -16.2(6) . .
O22 Pr3 O21 C55 131.5(7) . .
O18 Pr3 O22 C58 147.2(7) 3_566 .
O12 Pr3 O22 C58 -12.5(7) . .
O17 Pr3 O22 C58 -149.3(7) . .
O14 Pr3 O22 C58 62.4(7) . .
O16 Pr3 O22 C58 100.8(7) . .
O21 Pr3 O22 C58 -94.7(7) . .
O10 Pr3 O22 C58 -53.9(8) . .
O9 Pr2 O20 C70 -85.2(9) . .
O15 Pr2 O20 C70 -34.8(8) . .
O11 Pr2 O20 C70 108.4(8) . .
O13 Pr2 O20 C70 40.2(8) . .
O8 Pr2 O20 C70 -117.3(8) . .
O5 Pr2 O20 C70 135.4(8) . .
O7 Pr2 O20 C70 -161.1(8) . .
C36 Pr2 O20 C70 -138.7(8) . .
O2 Pr1 O19 C67 -10.2(10) 3_576 .
O1 Pr1 O19 C67 141.3(9) . .
O4 Pr1 O19 C67 -179.7(8) 3_576 .
O7 Pr1 O19 C67 -23.4(9) . .
O6 Pr1 O19 C67 -138.3(9) . .
O3 Pr1 O19 C67 66.3(9) . .
O5 Pr1 O19 C67 -91.1(9) . .
O4 Pr1 O19 C67 77.2(9) . .
C42 Pr1 O19 C67 -114.8(9) . .
C48 Pr1 O19 C67 71.0(9) . .
Pr1 Pr1 O19 C67 107.6(9) 3_576 .
Cu2 Cu1 N1 C1 -102.7(4) . .
Cu3 Cu1 N1 C1 138.3(4) . .
I6 Cu1 N1 C1 -36.1(4) . .
I5 Cu1 N1 C1 -164.5(4) . .
I8 Cu1 N1 C1 76.4(4) . .
Cu4 Cu1 N1 C1 25.4(6) . .
Cu2 Cu1 N1 C5 86.5(5) . .
Cu3 Cu1 N1 C5 -32.5(6) . .
I6 Cu1 N1 C5 153.1(4) . .
I5 Cu1 N1 C5 24.7(5) . .
I8 Cu1 N1 C5 -94.4(4) . .
Cu4 Cu1 N1 C5 -145.4(4) . .
Cu6 Cu5 N2 C11 105.3(4) 4_676 .
Cu7 Cu5 N2 C11 -120.1(4) . .
I10 Cu5 N2 C11 176.4(4) . .
I9 Cu5 N2 C11 44.6(5) . .
Cu8 Cu5 N2 C11 -17.2(5) . .
I12 Cu5 N2 C11 -67.5(4) . .
Cu6 Cu5 N2 C7 -80.4(5) 4_676 .
Cu7 Cu5 N2 C7 54.1(6) . .
I10 Cu5 N2 C7 -9.3(5) . .
I9 Cu5 N2 C7 -141.1(4) . .
Cu8 Cu5 N2 C7 157.1(4) . .
I12 Cu5 N2 C7 106.8(5) . .
I14 Cu11 N3 C17 171.2(4) 2_546 .
Cu12 Cu11 N3 C17 -6.3(6) 1_455 .
I16 Cu11 N3 C17 -65.1(5) 2_546 .
I15 Cu11 N3 C17 52.2(5) 3_466 .
Cu9 Cu11 N3 C17 -110.1(5) 2_546 .
Cu10 Cu11 N3 C17 96.2(5) 3_466 .
I14 Cu11 N3 C13 -7.0(5) 2_546 .
Cu12 Cu11 N3 C13 175.4(4) 1_455 .
I16 Cu11 N3 C13 116.6(4) 2_546 .
I15 Cu11 N3 C13 -126.0(4) 3_466 .
Cu9 Cu11 N3 C13 71.6(6) 2_546 .
Cu10 Cu11 N3 C13 -82.0(6) 3_466 .
Cu9 Cu10 N4 C23 71.9(5) 4_475 .
I14 Cu10 N4 C23 1.7(5) 4_475 .
I13 Cu10 N4 C23 129.4(4) 4_475 .
I15 Cu10 N4 C23 -115.8(4) . .
Cu12 Cu10 N4 C23 -174.4(4) 3_566 .
Cu11 Cu10 N4 C23 -57.5(6) 3_466 .
Cu9 Cu10 N4 C19 -105.3(4) 4_475 .
I14 Cu10 N4 C19 -175.5(4) 4_475 .
I13 Cu10 N4 C19 -47.8(4) 4_475 .
I15 Cu10 N4 C19 67.0(4) . .
Cu12 Cu10 N4 C19 8.4(6) 3_566 .
Cu11 Cu10 N4 C19 125.3(4) 3_466 .
Cu10 Cu9 N6 C35 -96.0(5) 4_676 .
I13 Cu9 N6 C35 -29.6(5) . .
I16 Cu9 N6 C35 86.5(5) . .
I14 Cu9 N6 C35 -157.4(4) . .
Cu12 Cu9 N6 C35 31.4(6) 2_656 .
Cu11 Cu9 N6 C35 146.7(4) 2_556 .
Cu10 Cu9 N6 C31 91.3(6) 4_676 .
I13 Cu9 N6 C31 157.7(5) . .
I16 Cu9 N6 C31 -86.2(5) . .
I14 Cu9 N6 C31 30.0(6) . .
Cu12 Cu9 N6 C31 -141.2(5) 2_656 .
Cu11 Cu9 N6 C31 -26.0(7) 2_556 .
Cu5 Cu6 N7 C37 95.2(5) 4_475 .
Cu7 Cu6 N7 C37 -161.4(4) 4_475 .
I11 Cu6 N7 C37 -88.4(5) . .
I9 Cu6 N7 C37 26.8(5) 4_475 .
I10 Cu6 N7 C37 150.6(4) 4_475 .
Cu8 Cu6 N7 C37 -27.1(7) 4_475 .
Cu5 Cu6 N7 C41 -88.4(5) 4_475 .
Cu7 Cu6 N7 C41 15.0(7) 4_475 .
I11 Cu6 N7 C41 88.1(5) . .
I9 Cu6 N7 C41 -156.7(5) 4_475 .
I10 Cu6 N7 C41 -33.0(5) 4_475 .
Cu8 Cu6 N7 C41 149.4(4) 4_475 .
C5 N1 C1 C2 1.5(8) . .
Cu1 N1 C1 C2 -169.9(4) . .
N1 C1 C2 C3 1.3(9) . .
C1 C2 C3 C4 -3.7(8) . .
C1 C2 C3 C6 178.6(5) . .
C2 C3 C4 C5 3.4(8) . .
C6 C3 C4 C5 -178.9(5) . .
C1 N1 C5 C4 -1.8(8) . .
Cu1 N1 C5 C4 169.1(4) . .
C3 C4 C5 N1 -0.6(9) . .
Pr3 O17 C6 O18 89.5(7) . .
Pr3 O17 C6 C3 -91.5(6) . .
Pr3 O18 C6 O17 3.3(16) 3_566 .
Pr3 O18 C6 C3 -175.7(9) 3_566 .
C2 C3 C6 O17 -14.0(8) . .
C4 C3 C6 O17 168.3(5) . .
C2 C3 C6 O18 165.0(5) . .
C4 C3 C6 O18 -12.7(8) . .
C11 N2 C7 C8 3.7(9) . .
Cu5 N2 C7 C8 -170.6(5) . .
N2 C7 C8 C9 -1.0(9) . .
C7 C8 C9 C10 -2.2(9) . .
C7 C8 C9 C12 177.9(5) . .
C8 C9 C10 C11 2.4(9) . .
C12 C9 C10 C11 -177.6(5) . .
C7 N2 C11 C10 -3.4(9) . .
Cu5 N2 C11 C10 171.3(5) . .
C9 C10 C11 N2 0.4(10) . .
Pr3 O10 C12 O9 -3.8(8) . .
Pr3 O10 C12 C9 176.3(3) . .
Pr2 O9 C12 O10 -16(2) . .
Pr2 O9 C12 C9 164.0(18) . .
C10 C9 C12 O10 -161.1(5) . .
C8 C9 C12 O10 18.9(8) . .
C10 C9 C12 O9 19.0(8) . .
C8 C9 C12 O9 -161.0(5) . .
C17 N3 C13 C14 -2.1(9) . .
Cu11 N3 C13 C14 176.2(4) . .
N3 C13 C14 C15 1.1(9) . .
C13 C14 C15 C16 1.1(9) . .
C13 C14 C15 C18 -179.5(5) . .
C14 C15 C16 C17 -2.1(9) . .
C18 C15 C16 C17 178.4(6) . .
C13 N3 C17 C16 1.0(9) . .
Cu11 N3 C17 C16 -177.4(5) . .
C15 C16 C17 N3 1.1(10) . .
Pr3 O16 C18 O15 -36.5(10) . .
Pr3 O16 C18 C15 143.2(5) . .
Pr2 O15 C18 O16 13.3(10) . .
Pr2 O15 C18 C15 -166.4(4) . .
C14 C15 C18 O16 -0.3(8) . .
C16 C15 C18 O16 179.2(5) . .
C14 C15 C18 O15 179.5(5) . .
C16 C15 C18 O15 -1.1(8) . .
C23 N4 C19 C20 2.3(9) . .
Cu10 N4 C19 C20 179.7(5) . .
N4 C19 C20 C21 -1.2(9) . .
C19 C20 C21 C22 -0.2(9) . .
C19 C20 C21 C24 179.9(5) . .
C20 C21 C22 C23 0.3(9) . .
C24 C21 C22 C23 -179.8(5) . .
C19 N4 C23 C22 -2.2(9) . .
Cu10 N4 C23 C22 -179.4(5) . .
C21 C22 C23 N4 0.9(9) . .
Pr3 O14 C24 O13 104.6(17) . .
Pr3 O14 C24 C21 -74.8(18) . .
Pr2 O13 C24 O14 -6.6(7) . .
Pr2 O13 C24 C21 172.8(4) . .
C20 C21 C24 O14 -6.4(8) . .
C22 C21 C24 O14 173.7(5) . .
C20 C21 C24 O13 174.2(5) . .
C22 C21 C24 O13 -5.7(8) . .
C29 N5 C25 C26 -5.8(12) . .
Cu3 N5 C25 C26 175.2(6) 4_575 .
N5 C25 C26 C27 0.6(13) . .
C25 C26 C27 C28 5.5(11) . .
C25 C26 C27 C30 -173.6(7) . .
C26 C27 C28 C29 -6.2(9) . .
C30 C27 C28 C29 172.8(5) . .
C25 N5 C29 C28 5.0(10) . .
Cu3 N5 C29 C28 -176.0(4) 4_575 .
C27 C28 C29 N5 1.0(9) . .
Pr3 O12 C30 O11 3.2(12) . .
Pr3 O12 C30 C27 -178.5(5) . .
Pr2 O11 C30 O12 23.9(9) . .
Pr2 O11 C30 C27 -154.4(4) . .
C28 C27 C30 O12 179.0(5) . .
C26 C27 C30 O12 -2.0(8) . .
C28 C27 C30 O11 -2.6(8) . .
C26 C27 C30 O11 176.5(6) . .
C35 N6 C31 C32 -2.2(11) . .
Cu9 N6 C31 C32 170.8(6) . .
N6 C31 C32 C33 0.1(12) . .
C31 C32 C33 C34 2.8(10) . .
C31 C32 C33 C36 -179.7(6) . .
C32 C33 C34 C35 -3.5(9) . .
C36 C33 C34 C35 179.1(5) . .
C31 N6 C35 C34 1.5(9) . .
Cu9 N6 C35 C34 -171.6(5) . .
C33 C34 C35 N6 1.4(9) . .
Pr2 O8 C36 O7 4.6(6) . .
Pr2 O8 C36 C33 -174.1(4) . .
Pr1 O7 C36 O8 111.5(6) . .
Pr2 O7 C36 O8 -4.0(5) . .
Pr1 O7 C36 C33 -69.8(7) . .
Pr2 O7 C36 C33 174.7(5) . .
Pr1 O7 C36 Pr2 115.5(4) . .
C34 C33 C36 O8 161.9(6) . .
C32 C33 C36 O8 -15.5(9) . .
C34 C33 C36 O7 -16.9(8) . .
C32 C33 C36 O7 165.7(6) . .
C34 C33 C36 Pr2 132(2) . .
C32 C33 C36 Pr2 -45(3) . .
O9 Pr2 C36 O8 -92.8(4) . .
O15 Pr2 C36 O8 -20.1(4) . .
O11 Pr2 C36 O8 -161.5(3) . .
O20 Pr2 C36 O8 60.4(4) . .
O13 Pr2 C36 O8 57.6(6) . .
O5 Pr2 C36 O8 132.6(4) . .
O7 Pr2 C36 O8 175.8(6) . .
O9 Pr2 C36 O7 91.4(3) . .
O15 Pr2 C36 O7 164.1(3) . .
O11 Pr2 C36 O7 22.7(3) . .
O20 Pr2 C36 O7 -115.4(4) . .
O13 Pr2 C36 O7 -118.2(4) . .
O8 Pr2 C36 O7 -175.8(6) . .
O5 Pr2 C36 O7 -43.2(3) . .
O9 Pr2 C36 C33 -60(2) . .
O15 Pr2 C36 C33 13(2) . .
O11 Pr2 C36 C33 -128(2) . .
O20 Pr2 C36 C33 93(2) . .
O13 Pr2 C36 C33 91(2) . .
O8 Pr2 C36 C33 33(2) . .
O5 Pr2 C36 C33 166(2) . .
O7 Pr2 C36 C33 -151(3) . .
C41 N7 C37 C38 -2.8(9) . .
Cu6 N7 C37 C38 173.8(5) . .
N7 C37 C38 C39 -0.2(9) . .
C37 C38 C39 C40 4.2(8) . .
C37 C38 C39 C42 -176.0(5) . .
C38 C39 C40 C41 -5.1(9) . .
C42 C39 C40 C41 175.0(6) . .
C37 N7 C41 C40 1.8(10) . .
Cu6 N7 C41 C40 -174.9(6) . .
C39 C40 C41 N7 2.2(11) . .
Pr1 O6 C42 O5 -0.3(6) . .
Pr1 O6 C42 C39 180.0(4) . .
Pr2 O5 C42 O6 -117.3(5) . .
Pr1 O5 C42 O6 0.2(5) . .
Pr2 O5 C42 C39 62.4(6) . .
Pr1 O5 C42 C39 180.0(4) . .
Pr2 O5 C42 Pr1 -117.6(3) . .
C38 C39 C42 O6 -158.4(5) . .
C40 C39 C42 O6 21.5(8) . .
C38 C39 C42 O5 21.9(8) . .
C40 C39 C42 O5 -158.3(6) . .
C38 C39 C42 Pr1 -158(5) . .
C40 C39 C42 Pr1 22(5) . .
O2 Pr1 C42 O6 152.0(3) 3_576 .
O19 Pr1 C42 O6 -67.9(3) . .
O1 Pr1 C42 O6 9.9(3) . .
O4 Pr1 C42 O6 82.1(3) 3_576 .
O7 Pr1 C42 O6 -138.9(3) . .
O3 Pr1 C42 O6 -65.7(5) . .
O5 Pr1 C42 O6 -179.8(5) . .
O4 Pr1 C42 O6 80.6(5) . .
C48 Pr1 C42 O6 -25.1(12) . .
Pr1 Pr1 C42 O6 81.6(3) 3_576 .
O2 Pr1 C42 O5 -28.2(3) 3_576 .
O19 Pr1 C42 O5 111.9(3) . .
O1 Pr1 C42 O5 -170.4(3) . .
O4 Pr1 C42 O5 -98.2(3) 3_576 .
O7 Pr1 C42 O5 40.8(3) . .
O6 Pr1 C42 O5 179.8(5) . .
O3 Pr1 C42 O5 114.0(4) . .
O4 Pr1 C42 O5 -99.6(4) . .
C48 Pr1 C42 O5 154.7(9) . .
Pr1 Pr1 C42 O5 -98.6(3) 3_576 .
O2 Pr1 C42 C39 152(5) 3_576 .
O19 Pr1 C42 C39 -68(5) . .
O1 Pr1 C42 C39 10(5) . .
O4 Pr1 C42 C39 82(5) 3_576 .
O7 Pr1 C42 C39 -139(5) . .
O6 Pr1 C42 C39 0(5) . .
O3 Pr1 C42 C39 -66(5) . .
O5 Pr1 C42 C39 -180(100) . .
O4 Pr1 C42 C39 80(5) . .
C48 Pr1 C42 C39 -25(5) . .
Pr1 Pr1 C42 C39 82(5) 3_576 .
C47 N8 C43 C44 2.0(10) . .
Cu2 N8 C43 C44 -174.0(6) 2_656 .
N8 C43 C44 C45 1.0(11) . .
C43 C44 C45 C46 -3.2(10) . .
C43 C44 C45 C48 179.5(6) . .
C44 C45 C46 C47 2.5(9) . .
C48 C45 C46 C47 179.7(5) . .
C43 N8 C47 C46 -2.8(9) . .
Cu2 N8 C47 C46 173.2(4) 2_656 .
C45 C46 C47 N8 0.6(9) . .
Pr1 O3 C48 O4 -3.2(6) . .
Pr1 O3 C48 C45 175.6(4) . .
Pr1 O4 C48 O3 -119.1(9) 3_576 .
Pr1 O4 C48 O3 2.8(6) . .
Pr1 O4 C48 C45 62.1(12) 3_576 .
Pr1 O4 C48 C45 -176.0(5) . .
Pr1 O4 C48 Pr1 -121.9(10) 3_576 .
C46 C45 C48 O3 -149.8(6) . .
C44 C45 C48 O3 27.4(8) . .
C46 C45 C48 O4 29.1(8) . .
C44 C45 C48 O4 -153.7(6) . .
C46 C45 C48 Pr1 -123(3) . .
C44 C45 C48 Pr1 54(3) . .
O2 Pr1 C48 O3 129.7(4) 3_576 .
O19 Pr1 C48 O3 -10.7(4) . .
O1 Pr1 C48 O3 -89.4(4) . .
O4 Pr1 C48 O3 -159.0(3) 3_576 .
O7 Pr1 C48 O3 60.4(4) . .
O6 Pr1 C48 O3 -72.2(4) . .
O5 Pr1 C48 O3 90.7(5) . .
O4 Pr1 C48 O3 -177.2(6) . .
C42 Pr1 C48 O3 -53.1(11) . .
Pr1 Pr1 C48 O3 -164.9(4) 3_576 .
O2 Pr1 C48 O4 -53.1(3) 3_576 .
O19 Pr1 C48 O4 166.5(3) . .
O1 Pr1 C48 O4 87.7(3) . .
O4 Pr1 C48 O4 18.2(4) 3_576 .
O7 Pr1 C48 O4 -122.4(3) . .
O6 Pr1 C48 O4 105.0(4) . .
O3 Pr1 C48 O4 177.2(6) . .
O5 Pr1 C48 O4 -92.1(5) . .
C42 Pr1 C48 O4 124.1(9) . .
Pr1 Pr1 C48 O4 12.3(3) 3_576 .
O2 Pr1 C48 C45 101(3) 3_576 .
O19 Pr1 C48 C45 -40(3) . .
O1 Pr1 C48 C45 -118(3) . .
O4 Pr1 C48 C45 172(3) 3_576 .
O7 Pr1 C48 C45 31(3) . .
O6 Pr1 C48 C45 -101(3) . .
O3 Pr1 C48 C45 -29(3) . .
O5 Pr1 C48 C45 62(3) . .
O4 Pr1 C48 C45 154(3) . .
C42 Pr1 C48 C45 -82(3) . .
Pr1 Pr1 C48 C45 166(3) 3_576 .
C53 N9 C49 C50 -0.1(11) . .
Cu7 N9 C49 C50 -177.5(5) 3_676 .
N9 C49 C50 C51 -2.3(11) . .
C49 C50 C51 C52 1.9(11) . .
C49 C50 C51 C54 177.2(6) . .
C50 C51 C52 C53 0.7(14) . .
C54 C51 C52 C53 -174.7(8) . .
C49 N9 C53 C52 2.8(14) . .
Cu7 N9 C53 C52 -179.8(8) 3_676 .
C51 C52 C53 N9 -3.1(16) . .
Pr1 O1 C54 O2 -10.1(10) . .
Pr1 O1 C54 C51 167.4(4) . .
Pr1 O2 C54 O1 17.6(11) 3_576 .
Pr1 O2 C54 C51 -160.0(5) 3_576 .
C50 C51 C54 O1 173.1(6) . .
C52 C51 C54 O1 -11.8(10) . .
C50 C51 C54 O2 -9.1(9) . .
C52 C51 C54 O2 166.0(7) . .
Pr3 O21 C55 N10 122.8(7) . .
C57 N10 C55 O21 171.0(7) . .
C56 N10 C55 O21 -2.4(11) . .
Pr3 O22 C58 N11 156.2(6) . .
C60 N11 C58 O22 -179.2(8) . .
C59 N11 C58 O22 1.7(14) . .
Pr1 O19 C67 N12 -133.0(8) . .
C68 N12 C67 O19 1.0(14) . .
C69 N12 C67 O19 -176.2(8) . .
Pr2 O20 C70 N13 -156.6(7) . .
C71 N13 C70 O20 5.0(15) . .
C72 N13 C70 O20 -180.0(10) . .
C65 N14 C64 O23 -3.0(11) . .
C66 N14 C64 O23 -176.0(7) . .
