#------------------------------------------------------------------------------
#$Date: 2016-11-08 21:32:10 +0200 (Tue, 08 Nov 2016) $
#$Revision: 188092 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/65/7226500.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_7226500
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            'C55 H45 Cu7 I7 N13 O22.5 Pr3'
_chemical_formula_weight         3003.85
_chemical_name_common            2
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-08-20 deposited with the CCDC.
2016-09-08 downloaded from the CCDC.
;
_cell_angle_alpha                115.2950(10)
_cell_angle_beta                 101.9850(10)
_cell_angle_gamma                90.8450(10)
_cell_formula_units_Z            2
_cell_length_a                   15.0627(10)
_cell_length_b                   16.6949(11)
_cell_length_c                   18.0047(12)
_cell_measurement_temperature    150(2)
_cell_volume                     3976.8(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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0188
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            56705
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.29
_exptl_absorpt_coefficient_mu    6.423
_exptl_absorpt_correction_T_max  0.543
_exptl_absorpt_correction_T_min  0.338
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green-yellow
_exptl_crystal_density_diffrn    2.509
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2794
_exptl_crystal_size_max          0.175
_exptl_crystal_size_mid          0.153
_exptl_crystal_size_min          0.095
_refine_diff_density_max         1.261
_refine_diff_density_min         -1.684
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     976
_refine_ls_number_reflns         15621
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0240
_refine_ls_R_factor_gt           0.0197
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0157P)²+11.6262P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0430
_refine_ls_wR_factor_ref         0.0444
_reflns_number_gt                14090
_reflns_number_total             15621
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ce00540c2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7226499--7226505.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C55 H45 Cu7 I7 N13 O22.50 Pr3'
_cod_database_code               7226500
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pr1 Pr 0.972153(11) 0.399355(11) 0.547980(10) 0.00995(4) Uani 1 1 d .
Pr2 Pr 0.753846(12) 0.294723(12) 0.621870(11) 0.01304(4) Uani 1 1 d .
Pr3 Pr 0.508534(11) 0.403331(11) 0.545232(10) 0.00986(4) Uani 1 1 d .
Cu1 Cu 0.56529(3) 0.71115(3) 1.09133(3) 0.02428(10) Uani 1 1 d .
Cu2 Cu 0.73592(3) 0.80293(3) 1.17717(3) 0.02459(10) Uani 1 1 d .
Cu3 Cu 0.78346(3) 0.80634(3) 1.01506(3) 0.03145(12) Uani 1 1 d .
Cu4 Cu 0.92242(3) 0.98779(3) 0.92490(3) 0.02560(10) Uani 1 1 d .
Cu5 Cu 0.79199(3) 1.07753(3) 1.00699(3) 0.02139(9) Uani 1 1 d .
Cu6 Cu 0.66363(3) 1.09711(3) 0.87253(3) 0.02203(10) Uani 1 1 d .
Cu7 Cu 0.57292(4) 1.17764(3) 0.99188(3) 0.03514(13) Uani 1 1 d .
I1 I 0.653584(19) 0.707100(19) 1.229942(16) 0.03381(7) Uani 1 1 d .
I2 I 0.626457(15) 0.849347(16) 1.067198(15) 0.02061(5) Uani 1 1 d .
I3 I 0.872771(16) 0.737534(17) 1.105939(15) 0.02431(5) Uani 1 1 d .
I4 I 0.890193(14) 0.962343(14) 1.050530(13) 0.01590(5) Uani 1 1 d .
I5 I 0.841840(15) 1.107397(15) 0.886156(14) 0.01802(5) Uani 1 1 d .
I6 I 0.617070(15) 1.019852(15) 0.964485(15) 0.02001(5) Uani 1 1 d .
I7 I 0.612317(15) 1.263672(15) 0.911359(14) 0.01898(5) Uani 1 1 d .
O1 O 0.89248(17) 0.41432(16) 0.42434(14) 0.0203(5) Uani 1 1 d .
O2 O 0.89044(16) 0.49782(15) 0.35520(14) 0.0181(5) Uani 1 1 d .
O3 O 0.92376(16) 0.55074(15) 0.61978(14) 0.0168(5) Uani 1 1 d .
O4 O 0.92391(16) 0.62585(15) 0.54215(14) 0.0176(5) Uani 1 1 d .
O5 O 0.91292(16) 0.24180(15) 0.45958(15) 0.0194(5) Uani 1 1 d .
O6 O 0.86108(15) 0.20454(15) 0.54978(14) 0.0164(5) Uani 1 1 d .
O7 O 0.95177(18) 0.39518(16) 0.67702(15) 0.0227(5) Uani 1 1 d .
O8 O 0.83614(16) 0.44181(17) 0.73766(15) 0.0230(6) Uani 1 1 d .
O9 O 0.67777(16) 0.19800(16) 0.46986(15) 0.0212(5) Uani 1 1 d .
O10 O 0.55917(16) 0.25636(15) 0.51882(14) 0.0162(5) Uani 1 1 d .
O11 O 0.66995(16) 0.36378(16) 0.73621(14) 0.0191(5) Uani 1 1 d .
O12 O 0.55286(16) 0.42205(16) 0.68783(14) 0.0190(5) Uani 1 1 d .
O13 O 0.57861(15) 0.36362(16) 0.42163(14) 0.0169(5) Uani 1 1 d .
O14 O 0.60163(15) 0.48819(15) 0.40613(14) 0.0169(5) Uani 1 1 d .
O15 O 0.57983(14) 0.55282(14) 0.58506(14) 0.0143(5) Uani 1 1 d .
O16 O 0.61531(16) 0.68128(16) 0.58504(14) 0.0208(5) Uani 1 1 d .
O17 O 1.08510(16) 0.30410(16) 0.58391(15) 0.0211(5) Uani 1 1 d .
O18 O 0.86092(17) 0.26162(18) 0.72583(15) 0.0242(6) Uani 1 1 d .
O19 O 0.66709(19) 0.17382(18) 0.62932(18) 0.0316(6) Uani 1 1 d .
O20 O 0.39584(16) 0.31218(17) 0.56970(15) 0.0210(5) Uani 1 1 d .
O21 O 0.80573(15) 0.37910(15) 0.54342(14) 0.0151(5) Uani 1 1 d .
O22 O 0.68155(15) 0.41438(15) 0.58943(14) 0.0151(5) Uani 1 1 d .
N1 N 0.81607(19) 0.18912(18) 0.11981(17) 0.0174(6) Uani 1 1 d .
N2 N 0.91282(19) 0.86810(18) 0.82252(17) 0.0179(6) Uani 1 1 d .
N3 N 0.7922(2) -0.07852(19) 0.28001(18) 0.0215(7) Uani 1 1 d .
N4 N 1.1157(3) 0.5959(3) 0.9730(2) 0.0428(10) Uani 1 1 d .
N5 N 0.41437(19) -0.01052(19) 0.24461(18) 0.0196(6) Uani 1 1 d .
N6 N 0.57336(19) 0.59206(19) 0.99160(17) 0.0184(6) Uani 1 1 d .
N7 N 0.5900(2) 0.2475(2) 0.11807(18) 0.0222(7) Uani 1 1 d .
N8 N 0.74205(19) 0.74907(19) 0.88781(17) 0.0186(6) Uani 1 1 d .
N9 N 1.0548(2) 0.2404(2) 0.6672(2) 0.0279(7) Uani 1 1 d .
H9A H 0.9973 0.2511 0.6619 0.034 Uiso 1 1 calc R
H9B H 1.0772 0.2131 0.6980 0.034 Uiso 1 1 calc R
N10 N 0.8106(2) 0.3216(2) 0.84603(19) 0.0258(7) Uani 1 1 d .
H10B H 0.7604 0.3356 0.8217 0.031 Uiso 1 1 calc R
H10C H 0.8213 0.3341 0.9000 0.031 Uiso 1 1 calc R
N11 N 0.5217(3) 0.1973(3) 0.6468(2) 0.0408(9) Uani 1 1 d .
H11B H 0.5101 0.2212 0.6111 0.049 Uiso 1 1 calc R
H11C H 0.4798 0.1920 0.6723 0.049 Uiso 1 1 calc R
N12 N 0.2614(2) 0.3705(2) 0.5662(2) 0.0337(8) Uani 1 1 d .
H12A H 0.2863 0.4220 0.5731 0.040 Uiso 1 1 calc R
H12B H 0.2023 0.3618 0.5612 0.040 Uiso 1 1 calc R
C1 C 0.8123(3) 0.1845(2) 0.1913(2) 0.0237(8) Uani 1 1 d .
H1A H 0.7964 0.1278 0.1884 0.028 Uiso 1 1 calc R
C2 C 0.8307(2) 0.2586(2) 0.2701(2) 0.0203(7) Uani 1 1 d .
H2A H 0.8282 0.2523 0.3197 0.024 Uiso 1 1 calc R
C3 C 0.8526(2) 0.3414(2) 0.2742(2) 0.0141(7) Uani 1 1 d .
C4 C 0.8550(3) 0.3466(2) 0.2003(2) 0.0225(8) Uani 1 1 d .
H4A H 0.8695 0.4026 0.2011 0.027 Uiso 1 1 calc R
C5 C 0.8359(3) 0.2695(2) 0.1246(2) 0.0229(8) Uani 1 1 d .
H5A H 0.8370 0.2742 0.0740 0.027 Uiso 1 1 calc R
C6 C 0.8799(2) 0.4244(2) 0.3580(2) 0.0152(7) Uani 1 1 d .
C7 C 0.9275(2) 0.7933(2) 0.8315(2) 0.0192(7) Uani 1 1 d .
H7A H 0.9391 0.7967 0.8868 0.023 Uiso 1 1 calc R
C8 C 0.9265(2) 0.7115(2) 0.7640(2) 0.0170(7) Uani 1 1 d .
H8A H 0.9356 0.6597 0.7728 0.020 Uiso 1 1 calc R
C9 C 0.9120(2) 0.7063(2) 0.6833(2) 0.0141(7) Uani 1 1 d .
C10 C 0.8965(3) 0.7829(2) 0.6732(2) 0.0226(8) Uani 1 1 d .
H10A H 0.8860 0.7817 0.6188 0.027 Uiso 1 1 calc R
C11 C 0.8967(3) 0.8613(2) 0.7439(2) 0.0228(8) Uani 1 1 d .
H11A H 0.8848 0.9134 0.7363 0.027 Uiso 1 1 calc R
C12 C 0.9194(2) 0.6203(2) 0.6089(2) 0.0135(7) Uani 1 1 d .
C13 C 0.8441(3) -0.0191(3) 0.2705(2) 0.0311(9) Uani 1 1 d .
H13A H 0.8614 -0.0367 0.2184 0.037 Uiso 1 1 calc R
C14 C 0.8736(3) 0.0666(2) 0.3333(2) 0.0252(8) Uani 1 1 d .
H14A H 0.9099 0.1069 0.3240 0.030 Uiso 1 1 calc R
C15 C 0.8496(2) 0.0930(2) 0.4098(2) 0.0152(7) Uani 1 1 d .
C16 C 0.7982(2) 0.0313(2) 0.4206(2) 0.0206(7) Uani 1 1 d .
H16A H 0.7814 0.0468 0.4726 0.025 Uiso 1 1 calc R
C17 C 0.7714(3) -0.0532(2) 0.3549(2) 0.0222(8) Uani 1 1 d .
H17A H 0.7367 -0.0952 0.3633 0.027 Uiso 1 1 calc R
C18 C 0.8767(2) 0.1873(2) 0.4782(2) 0.0150(7) Uani 1 1 d .
C19 C 1.1365(3) 0.5235(3) 0.9132(3) 0.0345(10) Uani 1 1 d .
H19A H 1.1960 0.5064 0.9233 0.041 Uiso 1 1 calc R
C20 C 1.0755(3) 0.4714(3) 0.8364(2) 0.0290(9) Uani 1 1 d .
H20A H 1.0938 0.4210 0.7946 0.035 Uiso 1 1 calc R
C21 C 0.9877(3) 0.4941(3) 0.8217(2) 0.0243(8) Uani 1 1 d .
C22 C 0.9648(3) 0.5693(3) 0.8847(3) 0.0451(12) Uani 1 1 d .
H22A H 0.9049 0.5863 0.8774 0.054 Uiso 1 1 calc R
C23 C 1.0306(3) 0.6187(4) 0.9576(3) 0.0528(14) Uani 1 1 d .
H23A H 1.0154 0.6715 0.9991 0.063 Uiso 1 1 calc R
C24 C 0.9193(2) 0.4415(2) 0.7397(2) 0.0188(7) Uani 1 1 d .
C25 C 0.5052(3) -0.0021(3) 0.2532(2) 0.0294(9) Uani 1 1 d .
H25A H 0.5298 -0.0442 0.2097 0.035 Uiso 1 1 calc R
C26 C 0.5649(2) 0.0649(3) 0.3223(2) 0.0245(8) Uani 1 1 d .
H26A H 0.6287 0.0686 0.3256 0.029 Uiso 1 1 calc R
C27 C 0.5301(2) 0.1265(2) 0.3865(2) 0.0150(7) Uani 1 1 d .
C28 C 0.4363(2) 0.1183(2) 0.3791(2) 0.0180(7) Uani 1 1 d .
H28A H 0.4100 0.1591 0.4220 0.022 Uiso 1 1 calc R
C29 C 0.3818(2) 0.0489(2) 0.3071(2) 0.0196(7) Uani 1 1 d .
H29A H 0.3177 0.0436 0.3023 0.024 Uiso 1 1 calc R
C30 C 0.5940(2) 0.1991(2) 0.4631(2) 0.0153(7) Uani 1 1 d .
C31 C 0.6546(2) 0.5644(2) 0.9813(2) 0.0198(7) Uani 1 1 d .
H31A H 0.7054 0.5884 1.0288 0.024 Uiso 1 1 calc R
C32 C 0.6688(2) 0.5026(2) 0.9049(2) 0.0180(7) Uani 1 1 d .
H32A H 0.7272 0.4829 0.9009 0.022 Uiso 1 1 calc R
C33 C 0.5955(2) 0.4700(2) 0.8341(2) 0.0143(7) Uani 1 1 d .
C34 C 0.5106(2) 0.4949(2) 0.8457(2) 0.0210(8) Uani 1 1 d .
H34A H 0.4585 0.4719 0.7995 0.025 Uiso 1 1 calc R
C35 C 0.5021(2) 0.5542(2) 0.9257(2) 0.0243(8) Uani 1 1 d .
H35A H 0.4429 0.5682 0.9336 0.029 Uiso 1 1 calc R
C36 C 0.6072(2) 0.4137(2) 0.7462(2) 0.0147(7) Uani 1 1 d .
C37 C 0.5596(3) 0.2116(3) 0.1629(2) 0.0293(9) Uani 1 1 d .
H37A H 0.5348 0.1506 0.1350 0.035 Uiso 1 1 calc R
C38 C 0.5622(3) 0.2590(2) 0.2480(2) 0.0231(8) Uani 1 1 d .
H38A H 0.5410 0.2304 0.2777 0.028 Uiso 1 1 calc R
C39 C 0.5960(2) 0.3484(2) 0.2892(2) 0.0150(7) Uani 1 1 d .
C40 C 0.6311(3) 0.3855(2) 0.2443(2) 0.0226(8) Uani 1 1 d .
H40A H 0.6571 0.4460 0.2710 0.027 Uiso 1 1 calc R
C41 C 0.6276(3) 0.3327(2) 0.1597(2) 0.0241(8) Uani 1 1 d .
H41A H 0.6532 0.3582 0.1296 0.029 Uiso 1 1 calc R
C42 C 0.5928(2) 0.4042(2) 0.3798(2) 0.0158(7) Uani 1 1 d .
C43 C 0.7315(2) 0.6604(2) 0.8412(2) 0.0194(7) Uani 1 1 d .
H43A H 0.7515 0.6240 0.8686 0.023 Uiso 1 1 calc R
C44 C 0.6929(2) 0.6192(2) 0.7548(2) 0.0186(7) Uani 1 1 d .
H44A H 0.6858 0.5560 0.7241 0.022 Uiso 1 1 calc R
C45 C 0.6652(2) 0.6717(2) 0.71419(19) 0.0125(6) Uani 1 1 d .
C46 C 0.6787(2) 0.7638(2) 0.7618(2) 0.0213(8) Uani 1 1 d .
H46A H 0.6623 0.8019 0.7355 0.026 Uiso 1 1 calc R
C47 C 0.7162(2) 0.7992(2) 0.8475(2) 0.0232(8) Uani 1 1 d .
H47A H 0.7241 0.8622 0.8795 0.028 Uiso 1 1 calc R
C48 C 0.6181(2) 0.6327(2) 0.62185(19) 0.0138(7) Uani 1 1 d .
C49 C 0.7413(2) 0.4262(2) 0.5543(2) 0.0154(7) Uani 1 1 d .
H49A H 0.739(2) 0.470(3) 0.539(2) 0.019 Uiso 1 1 d .
C50 C 1.1071(2) 0.2654(2) 0.6290(2) 0.0241(8) Uani 1 1 d .
H50A H 1.1685 0.2522 0.6369 0.029 Uiso 1 1 calc R
C51 C 0.8687(2) 0.2826(2) 0.8025(2) 0.0210(8) Uani 1 1 d .
H51A H 0.9220 0.2686 0.8313 0.025 Uiso 1 1 calc R
C52 C 0.6023(3) 0.1696(3) 0.6619(3) 0.0368(10) Uani 1 1 d .
H52A H 0.6120 0.1443 0.7008 0.044 Uiso 1 1 calc R
C53 C 0.3124(2) 0.3069(3) 0.5634(2) 0.0245(8) Uani 1 1 d .
H53A H 0.2829 0.2524 0.5559 0.029 Uiso 1 1 calc R
C55 C 0.8536(5) -0.0300(4) 0.5934(4) 0.0668(18) Uani 1 1 d .
N13 N 0.8150(6) -0.0969(4) 0.5510(4) 0.124(3) Uani 1 1 d .
C54 C 0.9074(6) 0.0556(4) 0.6467(4) 0.097(3) Uani 1 1 d .
O1W O 0.747(2) 0.535(2) 0.220(2) 0.353(16) Uani 0.50 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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
O4 Pr1 O1 72.86(8) 2_766 .
O4 Pr1 O7 143.76(8) 2_766 .
O1 Pr1 O7 143.01(8) . .
O4 Pr1 O5 85.56(8) 2_766 .
O1 Pr1 O5 82.50(8) . .
O7 Pr1 O5 93.46(8) . .
O4 Pr1 O2 77.36(8) 2_766 2_766
O1 Pr1 O2 121.00(8) . 2_766
O7 Pr1 O2 82.70(8) . 2_766
O5 Pr1 O2 143.96(8) . 2_766
O4 Pr1 O3 120.56(8) 2_766 .
O1 Pr1 O3 81.17(8) . .
O7 Pr1 O3 80.30(8) . .
O5 Pr1 O3 142.80(8) . .
O2 Pr1 O3 72.06(8) 2_766 .
O4 Pr1 O21 141.86(7) 2_766 .
O1 Pr1 O21 74.49(8) . .
O7 Pr1 O21 69.50(8) . .
O5 Pr1 O21 71.10(8) . .
O2 Pr1 O21 137.78(7) 2_766 .
O3 Pr1 O21 72.40(7) . .
O4 Pr1 O17 73.58(8) 2_766 .
O1 Pr1 O17 138.38(8) . .
O7 Pr1 O17 71.91(8) . .
O5 Pr1 O17 71.02(8) . .
O2 Pr1 O17 73.77(8) 2_766 .
O3 Pr1 O17 138.08(8) . .
O21 Pr1 O17 122.91(8) . .
O6 Pr2 O19 96.36(9) . .
O6 Pr2 O18 72.78(8) . .
O19 Pr2 O18 76.56(9) . .
O6 Pr2 O11 157.24(8) . .
O19 Pr2 O11 72.09(9) . .
O18 Pr2 O11 85.29(8) . .
O6 Pr2 O9 69.71(7) . .
O19 Pr2 O9 77.36(9) . .
O18 Pr2 O9 130.92(8) . .
O11 Pr2 O9 124.15(8) . .
O6 Pr2 O22 124.59(8) . .
O19 Pr2 O22 123.76(8) . .
O18 Pr2 O22 145.92(8) . .
O11 Pr2 O22 77.36(7) . .
O9 Pr2 O22 82.67(8) . .
O6 Pr2 O8 110.08(8) . .
O19 Pr2 O8 130.48(9) . .
O18 Pr2 O8 72.75(9) . .
O11 Pr2 O8 67.56(8) . .
O9 Pr2 O8 150.58(8) . .
O22 Pr2 O8 73.56(8) . .
O6 Pr2 O21 75.99(7) . .
O19 Pr2 O21 153.79(8) . .
O18 Pr2 O21 123.04(8) . .
O11 Pr2 O21 122.74(7) . .
O9 Pr2 O21 76.47(8) . .
O22 Pr2 O21 50.75(7) . .
O8 Pr2 O21 75.11(7) . .
O6 Pr2 C49 100.58(9) . .
O19 Pr2 C49 144.12(9) . .
O18 Pr2 C49 138.77(9) . .
O11 Pr2 C49 99.93(9) . .
O9 Pr2 C49 79.25(9) . .
O22 Pr2 C49 25.41(8) . .
O8 Pr2 C49 71.81(9) . .
O21 Pr2 C49 25.37(8) . .
O12 Pr3 O15 91.93(8) . .
O12 Pr3 O10 80.64(8) . .
O15 Pr3 O10 136.91(7) . .
O12 Pr3 O14 86.56(8) . 2_666
O15 Pr3 O14 71.09(7) . 2_666
O10 Pr3 O14 149.09(8) . 2_666
O12 Pr3 O20 70.40(8) . .
O15 Pr3 O20 146.42(8) . .
O10 Pr3 O20 69.92(8) . .
O14 Pr3 O20 79.31(8) 2_666 .
O12 Pr3 O13 137.99(8) . .
O15 Pr3 O13 82.75(8) . .
O10 Pr3 O13 75.62(7) . .
O14 Pr3 O13 129.47(7) 2_666 .
O20 Pr3 O13 129.54(8) . .
O12 Pr3 O16 138.81(8) . 2_666
O15 Pr3 O16 123.65(7) . 2_666
O10 Pr3 O16 84.88(8) . 2_666
O14 Pr3 O16 86.55(8) 2_666 2_666
O20 Pr3 O16 68.41(8) . 2_666
O13 Pr3 O16 72.91(8) . 2_666
O12 Pr3 O22 70.62(8) . .
O15 Pr3 O22 68.65(7) . .
O10 Pr3 O22 68.86(7) . .
O14 Pr3 O22 132.37(7) 2_666 .
O20 Pr3 O22 126.53(8) . .
O13 Pr3 O22 68.66(7) . .
O16 Pr3 O22 137.53(8) 2_666 .
O12 Pr3 O15 154.96(7) . 2_666
O15 Pr3 O15 75.33(7) . 2_666
O10 Pr3 O15 123.35(7) . 2_666
O14 Pr3 O15 69.03(7) 2_666 2_666
O20 Pr3 O15 108.77(7) . 2_666
O13 Pr3 O15 62.76(7) . 2_666
O16 Pr3 O15 48.33(7) 2_666 2_666
O22 Pr3 O15 121.89(7) . 2_666
O12 Pr3 C48 157.66(8) . 2_666
O15 Pr3 C48 100.00(8) . 2_666
O10 Pr3 C48 102.48(8) . 2_666
O14 Pr3 C48 79.65(8) 2_666 2_666
O20 Pr3 C48 89.69(8) . 2_666
O13 Pr3 C48 62.95(8) . 2_666
O16 Pr3 C48 23.82(8) 2_666 2_666
O22 Pr3 C48 131.37(8) . 2_666
O15 Pr3 C48 24.83(8) 2_666 2_666
N6 Cu1 I1 107.88(8) . .
N6 Cu1 I2 110.12(8) . .
I1 Cu1 I2 114.234(18) . .
N6 Cu1 I7 109.58(8) . 2_677
I1 Cu1 I7 113.132(18) . 2_677
I2 Cu1 I7 101.774(17) . 2_677
N6 Cu1 Cu2 111.01(8) . .
I1 Cu1 Cu2 57.935(15) . .
I2 Cu1 Cu2 59.085(15) . .
I7 Cu1 Cu2 139.08(2) 2_677 .
N3 Cu2 I1 107.79(9) 1_566 .
N3 Cu2 I3 105.42(9) 1_566 .
I1 Cu2 I3 117.395(19) . .
N3 Cu2 I2 105.17(9) 1_566 .
I1 Cu2 I2 115.046(19) . .
I3 Cu2 I2 104.980(18) . .
N3 Cu2 Cu1 137.98(9) 1_566 .
I1 Cu2 Cu1 58.206(15) . .
I3 Cu2 Cu1 116.192(19) . .
I2 Cu2 Cu1 59.671(15) . .
N8 Cu3 I3 126.72(9) . .
N8 Cu3 I2 103.78(8) . .
I3 Cu3 I2 106.93(2) . .
N8 Cu3 I4 102.83(9) . .
I3 Cu3 I4 106.591(18) . .
I2 Cu3 I4 109.218(19) . .
N2 Cu4 I4 109.66(8) . .
N2 Cu4 I5 112.83(8) . .
I4 Cu4 I5 119.726(19) . .
N2 Cu4 Cu5 131.68(8) . .
I4 Cu4 Cu5 60.597(15) . .
I5 Cu4 Cu5 59.336(15) . .
N2 Cu4 I4 96.76(8) . 2_777
I4 Cu4 I4 111.576(18) . 2_777
I5 Cu4 I4 103.705(17) . 2_777
Cu5 Cu4 I4 131.458(19) . 2_777
N2 Cu4 Cu4 113.30(9) . 2_777
I4 Cu4 Cu4 59.068(16) . 2_777
I5 Cu4 Cu4 129.91(2) . 2_777
Cu5 Cu4 Cu4 101.06(2) . 2_777
I4 Cu4 Cu4 52.507(16) 2_777 2_777
N1 Cu5 I6 107.48(8) 1_566 .
N1 Cu5 I5 112.58(8) 1_566 .
I6 Cu5 I5 111.430(17) . .
N1 Cu5 I4 101.66(8) 1_566 .
I6 Cu5 I4 109.123(17) . .
I5 Cu5 I4 113.976(17) . .
N1 Cu5 Cu4 126.49(8) 1_566 .
I6 Cu5 Cu4 125.442(19) . .
I5 Cu5 Cu4 57.454(14) . .
I4 Cu5 Cu4 56.706(14) . .
N1 Cu5 Cu6 112.97(8) 1_566 .
I6 Cu5 Cu6 57.605(14) . .
I5 Cu5 Cu6 56.294(14) . .
I4 Cu5 Cu6 145.160(19) . .
Cu4 Cu5 Cu6 102.255(19) . .
N5 Cu6 I5 115.24(8) 2_666 .
N5 Cu6 Cu7 116.10(9) 2_666 .
I5 Cu6 Cu7 128.58(2) . .
N5 Cu6 I6 99.22(9) 2_666 .
I5 Cu6 I6 110.858(18) . .
Cu7 Cu6 I6 57.969(15) . .
N5 Cu6 I7 108.54(8) 2_666 .
I5 Cu6 I7 108.004(17) . .
Cu7 Cu6 I7 57.019(15) . .
I6 Cu6 I7 114.986(18) . .
N5 Cu6 Cu5 135.00(9) 2_666 .
I5 Cu6 Cu5 57.335(14) . .
Cu7 Cu6 Cu5 84.01(2) . .
I6 Cu6 Cu5 55.966(14) . .
I7 Cu6 Cu5 115.894(17) . .
N7 Cu7 I7 116.99(9) 1_566 .
N7 Cu7 I6 106.74(9) 1_566 .
I7 Cu7 I6 124.06(2) . .
N7 Cu7 Cu6 142.59(9) 1_566 .
I7 Cu7 Cu6 62.756(16) . .
I6 Cu7 Cu6 61.307(16) . .
N7 Cu7 I2 101.92(9) 1_566 2_677
I7 Cu7 I2 99.307(19) . 2_677
I6 Cu7 I2 104.127(19) . 2_677
Cu6 Cu7 I2 115.23(2) . 2_677
Cu2 I1 Cu1 63.859(16) . .
Cu2 I2 Cu1 61.244(15) . .
Cu2 I2 Cu3 71.762(16) . .
Cu1 I2 Cu3 106.143(17) . .
Cu2 I2 Cu7 130.390(16) . 2_677
Cu1 I2 Cu7 72.834(15) . 2_677
Cu3 I2 Cu7 143.120(16) . 2_677
Cu3 I3 Cu2 74.837(17) . .
Cu4 I4 Cu5 62.697(15) . .
Cu4 I4 Cu3 118.759(16) . .
Cu5 I4 Cu3 112.826(16) . .
Cu4 I4 Cu4 68.424(18) . 2_777
Cu5 I4 Cu4 108.813(16) . 2_777
Cu3 I4 Cu4 135.496(16) . 2_777
Cu4 I5 Cu6 114.523(17) . .
Cu4 I5 Cu5 63.210(15) . .
Cu6 I5 Cu5 66.371(15) . .
Cu7 I6 Cu5 91.343(18) . .
Cu7 I6 Cu6 60.724(16) . .
Cu5 I6 Cu6 66.429(15) . .
Cu7 I7 Cu1 78.666(18) . 2_677
Cu7 I7 Cu6 60.225(16) . .
Cu1 I7 Cu6 119.423(16) 2_677 .
C6 O1 Pr1 159.5(2) . .
C6 O2 Pr1 116.6(2) . 2_766
C12 O3 Pr1 137.1(2) . .
C12 O4 Pr1 138.9(2) . 2_766
C18 O5 Pr1 129.6(2) . .
C18 O6 Pr2 130.9(2) . .
C24 O7 Pr1 138.0(2) . .
C24 O8 Pr2 108.3(2) . .
C30 O9 Pr2 107.0(2) . .
C30 O10 Pr3 135.4(2) . .
C36 O11 Pr2 133.9(2) . .
C36 O12 Pr3 151.4(2) . .
C42 O13 Pr3 133.1(2) . .
C42 O14 Pr3 129.8(2) . 2_666
C48 O15 Pr3 167.7(2) . .
C48 O15 Pr3 85.74(18) . 2_666
Pr3 O15 Pr3 104.67(7) . 2_666
C48 O16 Pr3 101.94(19) . 2_666
C50 O17 Pr1 144.6(2) . .
C51 O18 Pr2 133.3(2) . .
C52 O19 Pr2 134.6(3) . .
C53 O20 Pr3 135.7(2) . .
C49 O21 Pr1 137.6(2) . .
C49 O21 Pr2 92.2(2) . .
Pr1 O21 Pr2 118.94(9) . .
C49 O22 Pr2 95.7(2) . .
C49 O22 Pr3 129.7(2) . .
Pr2 O22 Pr3 119.51(9) . .
C5 N1 C1 117.6(3) . .
C5 N1 Cu5 121.0(2) . 1_544
C1 N1 Cu5 121.4(2) . 1_544
C11 N2 C7 117.1(3) . .
C11 N2 Cu4 121.6(2) . .
C7 N2 Cu4 121.1(2) . .
C17 N3 C13 117.5(3) . .
C17 N3 Cu2 122.6(2) . 1_544
C13 N3 Cu2 119.6(2) . 1_544
C19 N4 C23 117.4(4) . .
C29 N5 C25 117.1(3) . .
C29 N5 Cu6 125.0(2) . 2_666
C25 N5 Cu6 116.8(2) . 2_666
C35 N6 C31 117.5(3) . .
C35 N6 Cu1 119.9(2) . .
C31 N6 Cu1 120.2(2) . .
C37 N7 C41 117.1(3) . .
C37 N7 Cu7 120.9(2) . 1_544
C41 N7 Cu7 121.9(2) . 1_544
C47 N8 C43 117.4(3) . .
C47 N8 Cu3 120.1(2) . .
C43 N8 Cu3 122.3(2) . .
C50 N9 H9A 120.0 . .
C50 N9 H9B 120.0 . .
H9A N9 H9B 120.0 . .
C51 N10 H10B 120.0 . .
C51 N10 H10C 120.0 . .
H10B N10 H10C 120.0 . .
C52 N11 H11B 120.0 . .
C52 N11 H11C 120.0 . .
H11B N11 H11C 120.0 . .
C53 N12 H12A 120.0 . .
C53 N12 H12B 120.0 . .
H12A N12 H12B 120.0 . .
N1 C1 C2 123.4(3) . .
N1 C1 H1A 118.3 . .
C2 C1 H1A 118.3 . .
C3 C2 C1 118.3(3) . .
C3 C2 H2A 120.8 . .
C1 C2 H2A 120.8 . .
C4 C3 C2 118.4(3) . .
C4 C3 C6 119.8(3) . .
C2 C3 C6 121.7(3) . .
C3 C4 C5 119.5(3) . .
C3 C4 H4A 120.2 . .
C5 C4 H4A 120.2 . .
N1 C5 C4 122.8(3) . .
N1 C5 H5A 118.6 . .
C4 C5 H5A 118.6 . .
O1 C6 O2 125.1(3) . .
O1 C6 C3 117.7(3) . .
O2 C6 C3 117.2(3) . .
N2 C7 C8 123.0(3) . .
N2 C7 H7A 118.5 . .
C8 C7 H7A 118.5 . .
C7 C8 C9 119.0(3) . .
C7 C8 H8A 120.5 . .
C9 C8 H8A 120.5 . .
C10 C9 C8 118.5(3) . .
C10 C9 C12 120.7(3) . .
C8 C9 C12 120.8(3) . .
C11 C10 C9 118.6(3) . .
C11 C10 H10A 120.7 . .
C9 C10 H10A 120.7 . .
N2 C11 C10 123.8(3) . .
N2 C11 H11A 118.1 . .
C10 C11 H11A 118.1 . .
O3 C12 O4 125.8(3) . .
O3 C12 C9 117.7(3) . .
O4 C12 C9 116.4(3) . .
N3 C13 C14 122.8(3) . .
N3 C13 H13A 118.6 . .
C14 C13 H13A 118.6 . .
C15 C14 C13 119.2(3) . .
C15 C14 H14A 120.4 . .
C13 C14 H14A 120.4 . .
C16 C15 C14 118.1(3) . .
C16 C15 C18 121.2(3) . .
C14 C15 C18 120.7(3) . .
C15 C16 C17 119.3(3) . .
C15 C16 H16A 120.3 . .
C17 C16 H16A 120.3 . .
N3 C17 C16 123.0(3) . .
N3 C17 H17A 118.5 . .
C16 C17 H17A 118.5 . .
O5 C18 O6 125.5(3) . .
O5 C18 C15 117.1(3) . .
O6 C18 C15 117.4(3) . .
N4 C19 C20 123.3(4) . .
N4 C19 H19A 118.4 . .
C20 C19 H19A 118.4 . .
C21 C20 C19 119.0(4) . .
C21 C20 H20A 120.5 . .
C19 C20 H20A 120.5 . .
C20 C21 C22 118.1(4) . .
C20 C21 C24 121.6(3) . .
C22 C21 C24 120.3(4) . .
C23 C22 C21 118.8(4) . .
C23 C22 H22A 120.6 . .
C21 C22 H22A 120.6 . .
N4 C23 C22 123.3(5) . .
N4 C23 H23A 118.4 . .
C22 C23 H23A 118.4 . .
O8 C24 O7 124.3(3) . .
O8 C24 C21 119.5(3) . .
O7 C24 C21 116.1(3) . .
N5 C25 C26 123.3(3) . .
N5 C25 H25A 118.3 . .
C26 C25 H25A 118.3 . .
C27 C26 C25 119.0(3) . .
C27 C26 H26A 120.5 . .
C25 C26 H26A 120.5 . .
C26 C27 C28 118.5(3) . .
C26 C27 C30 119.9(3) . .
C28 C27 C30 121.6(3) . .
C27 C28 C29 118.4(3) . .
C27 C28 H28A 120.8 . .
C29 C28 H28A 120.8 . .
N5 C29 C28 123.8(3) . .
N5 C29 H29A 118.1 . .
C28 C29 H29A 118.1 . .
O9 C30 O10 123.4(3) . .
O9 C30 C27 118.6(3) . .
O10 C30 C27 118.0(3) . .
N6 C31 C32 123.3(3) . .
N6 C31 H31A 118.3 . .
C32 C31 H31A 118.3 . .
C31 C32 C33 118.7(3) . .
C31 C32 H32A 120.7 . .
C33 C32 H32A 120.7 . .
C34 C33 C32 117.8(3) . .
C34 C33 C36 119.6(3) . .
C32 C33 C36 122.4(3) . .
C33 C34 C35 119.3(3) . .
C33 C34 H34A 120.4 . .
C35 C34 H34A 120.4 . .
N6 C35 C34 122.9(3) . .
N6 C35 H35A 118.5 . .
C34 C35 H35A 118.5 . .
O12 C36 O11 124.9(3) . .
O12 C36 C33 115.7(3) . .
O11 C36 C33 119.3(3) . .
N7 C37 C38 123.2(3) . .
N7 C37 H37A 118.4 . .
C38 C37 H37A 118.4 . .
C37 C38 C39 119.3(3) . .
C37 C38 H38A 120.4 . .
C39 C38 H38A 120.4 . .
C38 C39 C40 118.0(3) . .
C38 C39 C42 121.0(3) . .
C40 C39 C42 120.9(3) . .
C39 C40 C41 118.8(3) . .
C39 C40 H40A 120.6 . .
C41 C40 H40A 120.6 . .
N7 C41 C40 123.4(3) . .
N7 C41 H41A 118.3 . .
C40 C41 H41A 118.3 . .
O13 C42 O14 125.8(3) . .
O13 C42 C39 117.1(3) . .
O14 C42 C39 117.0(3) . .
N8 C43 C44 123.2(3) . .
N8 C43 H43A 118.4 . .
C44 C43 H43A 118.4 . .
C45 C44 C43 118.8(3) . .
C45 C44 H44A 120.6 . .
C43 C44 H44A 120.6 . .
C44 C45 C46 118.2(3) . .
C44 C45 C48 122.4(3) . .
C46 C45 C48 119.4(3) . .
C47 C46 C45 119.2(3) . .
C47 C46 H46A 120.4 . .
C45 C46 H46A 120.4 . .
N8 C47 C46 123.2(3) . .
N8 C47 H47A 118.4 . .
C46 C47 H47A 118.4 . .
O16 C48 O15 122.3(3) . .
O16 C48 C45 118.4(3) . .
O15 C48 C45 119.2(3) . .
O16 C48 Pr3 54.23(16) . 2_666
O15 C48 Pr3 69.43(16) . 2_666
C45 C48 Pr3 163.8(2) . 2_666
O21 C49 O22 121.3(3) . .
O21 C49 Pr2 62.47(18) . .
O22 C49 Pr2 58.90(17) . .
O21 C49 H49A 119(3) . .
O22 C49 H49A 120(2) . .
Pr2 C49 H49A 174(2) . .
O17 C50 N9 127.1(3) . .
O17 C50 H50A 116.5 . .
N9 C50 H50A 116.5 . .
O18 C51 N10 125.6(3) . .
O18 C51 H51A 117.2 . .
N10 C51 H51A 117.2 . .
O19 C52 N11 125.7(4) . .
O19 C52 H52A 117.2 . .
N11 C52 H52A 117.2 . .
O20 C53 N12 125.2(4) . .
O20 C53 H53A 117.4 . .
N12 C53 H53A 117.4 . .
N13 C55 C54 177.3(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pr1 O4 2.398(2) 2_766
Pr1 O1 2.415(2) .
Pr1 O7 2.435(2) .
Pr1 O5 2.452(2) .
Pr1 O2 2.472(2) 2_766
Pr1 O3 2.499(2) .
Pr1 O21 2.504(2) .
Pr1 O17 2.519(2) .
Pr2 O6 2.415(2) .
Pr2 O19 2.455(3) .
Pr2 O18 2.463(2) .
Pr2 O11 2.502(2) .
Pr2 O9 2.505(2) .
Pr2 O22 2.513(2) .
Pr2 O8 2.525(2) .
Pr2 O21 2.592(2) .
Pr2 C49 2.920(4) .
Pr3 O12 2.394(2) .
Pr3 O15 2.443(2) .
Pr3 O10 2.457(2) .
Pr3 O14 2.477(2) 2_666
Pr3 O20 2.490(2) .
Pr3 O13 2.498(2) .
Pr3 O16 2.500(2) 2_666
Pr3 O22 2.541(2) .
Pr3 O15 2.830(2) 2_666
Pr3 C48 3.015(3) 2_666
Cu1 N6 2.059(3) .
Cu1 I1 2.6019(5) .
Cu1 I2 2.7057(6) .
Cu1 I7 2.7079(5) 2_677
Cu1 Cu2 2.7481(7) .
Cu2 N3 2.057(3) 1_566
Cu2 I1 2.5943(5) .
Cu2 I3 2.6558(6) .
Cu2 I2 2.6894(5) .
Cu3 N8 2.017(3) .
Cu3 I3 2.5581(5) .
Cu3 I2 2.7176(6) .
Cu3 I4 2.7937(6) .
Cu4 N2 2.036(3) .
Cu4 I4 2.6085(5) .
Cu4 I5 2.6186(5) .
Cu4 Cu5 2.7730(7) .
Cu4 I4 2.8200(6) 2_777
Cu4 Cu4 3.0572(10) 2_777
Cu5 N1 2.042(3) 1_566
Cu5 I6 2.6292(5) .
Cu5 I5 2.6721(5) .
Cu5 I4 2.7187(5) .
Cu5 Cu6 2.9080(6) .
Cu6 N5 2.058(3) 2_666
Cu6 I5 2.6405(5) .
Cu6 Cu7 2.6639(7) .
Cu6 I6 2.6789(5) .
Cu6 I7 2.7286(5) .
Cu7 N7 2.018(3) 1_566
Cu7 I7 2.5745(6) .
Cu7 I6 2.5890(6) .
Cu7 I2 2.9287(7) 2_677
I2 Cu7 2.9287(7) 2_677
I4 Cu4 2.8200(6) 2_777
I7 Cu1 2.7079(5) 2_677
O1 C6 1.253(4) .
O2 C6 1.257(4) .
O2 Pr1 2.472(2) 2_766
O3 C12 1.257(4) .
O4 C12 1.260(4) .
O4 Pr1 2.398(2) 2_766
O5 C18 1.249(4) .
O6 C18 1.269(4) .
O7 C24 1.266(4) .
O8 C24 1.246(4) .
O9 C30 1.243(4) .
O10 C30 1.268(4) .
O11 C36 1.259(4) .
O12 C36 1.251(4) .
O13 C42 1.253(4) .
O14 C42 1.268(4) .
O14 Pr3 2.477(2) 2_666
O15 C48 1.270(4) .
O15 Pr3 2.830(2) 2_666
O16 C48 1.245(4) .
O16 Pr3 2.500(2) 2_666
O17 C50 1.237(4) .
O18 C51 1.249(4) .
O19 C52 1.253(5) .
O20 C53 1.237(4) .
O21 C49 1.252(4) .
O22 C49 1.259(4) .
N1 C5 1.333(4) .
N1 C1 1.335(5) .
N1 Cu5 2.042(3) 1_544
N2 C11 1.340(4) .
N2 C7 1.342(4) .
N3 C17 1.336(5) .
N3 C13 1.343(5) .
N3 Cu2 2.057(3) 1_544
N4 C19 1.325(6) .
N4 C23 1.350(6) .
N5 C29 1.335(4) .
N5 C25 1.343(5) .
N5 Cu6 2.058(3) 2_666
N6 C35 1.330(5) .
N6 C31 1.336(4) .
N7 C37 1.333(5) .
N7 C41 1.340(5) .
N7 Cu7 2.018(3) 1_544
N8 C47 1.338(5) .
N8 C43 1.340(4) .
N9 C50 1.314(5) .
N9 H9A 0.8800 .
N9 H9B 0.8800 .
N10 C51 1.292(5) .
N10 H10B 0.8800 .
N10 H10C 0.8800 .
N11 C52 1.323(6) .
N11 H11B 0.8800 .
N11 H11C 0.8800 .
N12 C53 1.309(5) .
N12 H12A 0.8800 .
N12 H12B 0.8800 .
C1 C2 1.395(5) .
C1 H1A 0.9500 .
C2 C3 1.385(5) .
C2 H2A 0.9500 .
C3 C4 1.378(5) .
C3 C6 1.517(4) .
C4 C5 1.388(5) .
C4 H4A 0.9500 .
C5 H5A 0.9500 .
C7 C8 1.384(5) .
C7 H7A 0.9500 .
C8 C9 1.389(5) .
C8 H8A 0.9500 .
C9 C10 1.384(5) .
C9 C12 1.513(4) .
C10 C11 1.381(5) .
C10 H10A 0.9500 .
C11 H11A 0.9500 .
C13 C14 1.384(5) .
C13 H13A 0.9500 .
C14 C15 1.383(5) .
C14 H14A 0.9500 .
C15 C16 1.382(5) .
C15 C18 1.509(4) .
C16 C17 1.382(5) .
C16 H16A 0.9500 .
C17 H17A 0.9500 .
C19 C20 1.390(5) .
C19 H19A 0.9500 .
C20 C21 1.384(5) .
C20 H20A 0.9500 .
C21 C22 1.393(6) .
C21 C24 1.499(5) .
C22 C23 1.377(6) .
C22 H22A 0.9500 .
C23 H23A 0.9500 .
C25 C26 1.388(5) .
C25 H25A 0.9500 .
C26 C27 1.385(5) .
C26 H26A 0.9500 .
C27 C28 1.390(5) .
C27 C30 1.512(4) .
C28 C29 1.394(5) .
C28 H28A 0.9500 .
C29 H29A 0.9500 .
C31 C32 1.384(5) .
C31 H31A 0.9500 .
C32 C33 1.394(5) .
C32 H32A 0.9500 .
C33 C34 1.381(5) .
C33 C36 1.507(4) .
C34 C35 1.390(5) .
C34 H34A 0.9500 .
C35 H35A 0.9500 .
C37 C38 1.383(5) .
C37 H37A 0.9500 .
C38 C39 1.383(5) .
C38 H38A 0.9500 .
C39 C40 1.383(5) .
C39 C42 1.505(4) .
C40 C41 1.385(5) .
C40 H40A 0.9500 .
C41 H41A 0.9500 .
C43 C44 1.390(5) .
C43 H43A 0.9500 .
C44 C45 1.381(5) .
C44 H44A 0.9500 .
C45 C46 1.391(5) .
C45 C48 1.504(4) .
C46 C47 1.378(5) .
C46 H46A 0.9500 .
C47 H47A 0.9500 .
C48 Pr3 3.015(3) 2_666
C49 H49A 0.88(4) .
C50 H50A 0.9500 .
C51 H51A 0.9500 .
C52 H52A 0.9500 .
C53 H53A 0.9500 .
C55 N13 1.112(7) .
C55 C54 1.445(8) .
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
N6 Cu1 Cu2 N3 -179.80(15) . 1_566
I1 Cu1 Cu2 N3 -81.32(13) . 1_566
I2 Cu1 Cu2 N3 78.68(13) . 1_566
I7 Cu1 Cu2 N3 7.82(14) 2_677 1_566
N6 Cu1 Cu2 I1 -98.48(9) . .
I2 Cu1 Cu2 I1 160.004(19) . .
I7 Cu1 Cu2 I1 89.14(3) 2_677 .
N6 Cu1 Cu2 I3 8.88(9) . .
I1 Cu1 Cu2 I3 107.36(2) . .
I2 Cu1 Cu2 I3 -92.63(2) . .
I7 Cu1 Cu2 I3 -163.50(2) 2_677 .
N6 Cu1 Cu2 I2 101.51(9) . .
I1 Cu1 Cu2 I2 -160.004(19) . .
I7 Cu1 Cu2 I2 -70.86(3) 2_677 .
N2 Cu4 Cu5 N1 170.21(15) . 1_566
I4 Cu4 Cu5 N1 79.34(10) . 1_566
I5 Cu4 Cu5 N1 -95.42(10) . 1_566
I4 Cu4 Cu5 N1 -14.41(11) 2_777 1_566
Cu4 Cu4 Cu5 N1 34.68(11) 2_777 1_566
N2 Cu4 Cu5 I6 0.09(12) . .
I4 Cu4 Cu5 I6 -90.78(2) . .
I5 Cu4 Cu5 I6 94.46(2) . .
I4 Cu4 Cu5 I6 175.47(2) 2_777 .
Cu4 Cu4 Cu5 I6 -135.44(2) 2_777 .
N2 Cu4 Cu5 I5 -94.37(11) . .
I4 Cu4 Cu5 I5 174.759(18) . .
I4 Cu4 Cu5 I5 81.01(3) 2_777 .
Cu4 Cu4 Cu5 I5 130.10(3) 2_777 .
N2 Cu4 Cu5 I4 90.88(11) . .
I5 Cu4 Cu5 I4 -174.759(18) . .
I4 Cu4 Cu5 I4 -93.75(3) 2_777 .
Cu4 Cu4 Cu5 I4 -44.657(18) 2_777 .
N2 Cu4 Cu5 Cu6 -58.69(12) . .
I4 Cu4 Cu5 Cu6 -149.561(19) . .
I5 Cu4 Cu5 Cu6 35.680(15) . .
I4 Cu4 Cu5 Cu6 116.69(3) 2_777 .
Cu4 Cu4 Cu5 Cu6 165.78(2) 2_777 .
N1 Cu5 Cu6 N5 -163.05(15) 1_566 2_666
I6 Cu5 Cu6 N5 -66.31(12) . 2_666
I5 Cu5 Cu6 N5 94.32(12) . 2_666
I4 Cu5 Cu6 N5 10.25(13) . 2_666
Cu4 Cu5 Cu6 N5 58.09(12) . 2_666
N1 Cu5 Cu6 I5 102.62(9) 1_566 .
I6 Cu5 Cu6 I5 -160.628(17) . .
I4 Cu5 Cu6 I5 -84.07(3) . .
Cu4 Cu5 Cu6 I5 -36.229(16) . .
N1 Cu5 Cu6 Cu7 -41.68(9) 1_566 .
I6 Cu5 Cu6 Cu7 55.066(16) . .
I5 Cu5 Cu6 Cu7 -144.31(2) . .
I4 Cu5 Cu6 Cu7 131.63(3) . .
Cu4 Cu5 Cu6 Cu7 179.47(2) . .
N1 Cu5 Cu6 I6 -96.75(9) 1_566 .
I5 Cu5 Cu6 I6 160.628(17) . .
I4 Cu5 Cu6 I6 76.56(3) . .
Cu4 Cu5 Cu6 I6 124.40(2) . .
N1 Cu5 Cu6 I7 7.06(9) 1_566 .
I6 Cu5 Cu6 I7 103.81(2) . .
I5 Cu5 Cu6 I7 -95.561(19) . .
I4 Cu5 Cu6 I7 -179.63(3) . .
Cu4 Cu5 Cu6 I7 -131.790(19) . .
N5 Cu6 Cu7 N7 164.41(18) 2_666 1_566
I5 Cu6 Cu7 N7 -12.27(16) . 1_566
I6 Cu6 Cu7 N7 79.92(15) . 1_566
I7 Cu6 Cu7 N7 -99.61(15) . 1_566
Cu5 Cu6 Cu7 N7 26.66(15) . 1_566
N5 Cu6 Cu7 I7 -95.97(10) 2_666 .
I5 Cu6 Cu7 I7 87.34(3) . .
I6 Cu6 Cu7 I7 179.53(2) . .
Cu5 Cu6 Cu7 I7 126.271(17) . .
N5 Cu6 Cu7 I6 84.49(10) 2_666 .
I5 Cu6 Cu7 I6 -92.19(3) . .
I7 Cu6 Cu7 I6 -179.53(2) . .
Cu5 Cu6 Cu7 I6 -53.263(14) . .
N5 Cu6 Cu7 I2 -8.36(10) 2_666 2_677
I5 Cu6 Cu7 I2 174.964(19) . 2_677
I6 Cu6 Cu7 I2 -92.85(2) . 2_677
I7 Cu6 Cu7 I2 87.62(2) . 2_677
Cu5 Cu6 Cu7 I2 -146.11(2) . 2_677
N3 Cu2 I1 Cu1 135.98(9) 1_566 .
I3 Cu2 I1 Cu1 -105.29(2) . .
I2 Cu2 I1 Cu1 19.014(18) . .
N6 Cu1 I1 Cu2 104.03(9) . .
I2 Cu1 I1 Cu2 -18.767(18) . .
I7 Cu1 I1 Cu2 -134.59(2) 2_677 .
N3 Cu2 I2 Cu1 -137.15(9) 1_566 .
I1 Cu2 I2 Cu1 -18.712(17) . .
I3 Cu2 I2 Cu1 111.889(19) . .
N3 Cu2 I2 Cu3 101.87(9) 1_566 .
I1 Cu2 I2 Cu3 -139.69(2) . .
I3 Cu2 I2 Cu3 -9.091(16) . .
Cu1 Cu2 I2 Cu3 -120.980(18) . .
N3 Cu2 I2 Cu7 -112.50(9) 1_566 2_677
I1 Cu2 I2 Cu7 5.94(3) . 2_677
I3 Cu2 I2 Cu7 136.540(19) . 2_677
Cu1 Cu2 I2 Cu7 24.65(2) . 2_677
N6 Cu1 I2 Cu2 -103.04(9) . .
I1 Cu1 I2 Cu2 18.530(18) . .
I7 Cu1 I2 Cu2 140.80(2) 2_677 .
N6 Cu1 I2 Cu3 -45.08(9) . .
I1 Cu1 I2 Cu3 76.49(2) . .
I7 Cu1 I2 Cu3 -161.239(15) 2_677 .
Cu2 Cu1 I2 Cu3 57.962(18) . .
N6 Cu1 I2 Cu7 96.38(9) . 2_677
I1 Cu1 I2 Cu7 -142.05(2) . 2_677
I7 Cu1 I2 Cu7 -19.782(14) 2_677 2_677
Cu2 Cu1 I2 Cu7 -160.580(18) . 2_677
N8 Cu3 I2 Cu2 145.44(9) . .
I3 Cu3 I2 Cu2 9.535(17) . .
I4 Cu3 I2 Cu2 -105.440(18) . .
N8 Cu3 I2 Cu1 93.95(9) . .
I3 Cu3 I2 Cu1 -41.95(2) . .
I4 Cu3 I2 Cu1 -156.927(16) . .
N8 Cu3 I2 Cu7 11.20(10) . 2_677
I3 Cu3 I2 Cu7 -124.70(3) . 2_677
I4 Cu3 I2 Cu7 120.32(3) . 2_677
N8 Cu3 I3 Cu2 -132.03(11) . .
I2 Cu3 I3 Cu2 -9.501(17) . .
I4 Cu3 I3 Cu2 107.226(19) . .
N3 Cu2 I3 Cu3 -101.28(9) 1_566 .
I1 Cu2 I3 Cu3 138.72(2) . .
I2 Cu2 I3 Cu3 9.507(17) . .
Cu1 Cu2 I3 Cu3 72.70(2) . .
N2 Cu4 I4 Cu5 -127.53(9) . .
I5 Cu4 I4 Cu5 5.192(18) . .
I4 Cu4 I4 Cu5 126.47(2) 2_777 .
Cu4 Cu4 I4 Cu5 126.47(2) 2_777 .
N2 Cu4 I4 Cu3 -25.14(9) . .
I5 Cu4 I4 Cu3 107.59(2) . .
Cu5 Cu4 I4 Cu3 102.397(19) . .
I4 Cu4 I4 Cu3 -131.134(19) 2_777 .
Cu4 Cu4 I4 Cu3 -131.134(19) 2_777 .
N2 Cu4 I4 Cu4 106.00(9) . 2_777
I5 Cu4 I4 Cu4 -121.28(3) . 2_777
Cu5 Cu4 I4 Cu4 -126.47(2) . 2_777
I4 Cu4 I4 Cu4 0.000(1) 2_777 2_777
N1 Cu5 I4 Cu4 -126.22(9) 1_566 .
I6 Cu5 I4 Cu4 120.43(2) . .
I5 Cu5 I4 Cu4 -4.834(17) . .
Cu6 Cu5 I4 Cu4 60.07(3) . .
N1 Cu5 I4 Cu3 122.05(8) 1_566 .
I6 Cu5 I4 Cu3 8.71(2) . .
I5 Cu5 I4 Cu3 -116.562(19) . .
Cu4 Cu5 I4 Cu3 -111.727(18) . .
Cu6 Cu5 I4 Cu3 -51.66(4) . .
N1 Cu5 I4 Cu4 -74.03(8) 1_566 2_777
I6 Cu5 I4 Cu4 172.624(15) . 2_777
I5 Cu5 I4 Cu4 47.35(2) . 2_777
Cu4 Cu5 I4 Cu4 52.19(2) . 2_777
Cu6 Cu5 I4 Cu4 112.26(3) . 2_777
N8 Cu3 I4 Cu4 -5.63(9) . .
I3 Cu3 I4 Cu4 129.419(19) . .
I2 Cu3 I4 Cu4 -115.387(19) . .
N8 Cu3 I4 Cu5 64.70(9) . .
I3 Cu3 I4 Cu5 -160.257(17) . .
I2 Cu3 I4 Cu5 -45.06(2) . .
N8 Cu3 I4 Cu4 -93.33(9) . 2_777
I3 Cu3 I4 Cu4 41.71(3) . 2_777
I2 Cu3 I4 Cu4 156.906(18) . 2_777
N2 Cu4 I5 Cu6 82.47(9) . .
I4 Cu4 I5 Cu6 -48.88(3) . .
Cu5 Cu4 I5 Cu6 -43.625(18) . .
I4 Cu4 I5 Cu6 -173.991(14) 2_777 .
Cu4 Cu4 I5 Cu6 -121.78(3) 2_777 .
N2 Cu4 I5 Cu5 126.10(9) . .
I4 Cu4 I5 Cu5 -5.258(18) . .
I4 Cu4 I5 Cu5 -130.366(19) 2_777 .
Cu4 Cu4 I5 Cu5 -78.16(3) 2_777 .
N5 Cu6 I5 Cu4 -86.54(10) 2_666 .
Cu7 Cu6 I5 Cu4 90.17(3) . .
I6 Cu6 I5 Cu4 25.13(2) . .
I7 Cu6 I5 Cu4 151.940(16) . .
Cu5 Cu6 I5 Cu4 42.240(17) . .
N5 Cu6 I5 Cu5 -128.78(10) 2_666 .
Cu7 Cu6 I5 Cu5 47.93(3) . .
I6 Cu6 I5 Cu5 -17.107(15) . .
I7 Cu6 I5 Cu5 109.700(18) . .
N1 Cu5 I5 Cu4 119.91(9) 1_566 .
I6 Cu5 I5 Cu4 -119.24(2) . .
I4 Cu5 I5 Cu4 4.794(16) . .
Cu6 Cu5 I5 Cu4 -136.753(19) . .
N1 Cu5 I5 Cu6 -103.34(9) 1_566 .
I6 Cu5 I5 Cu6 17.511(16) . .
I4 Cu5 I5 Cu6 141.55(2) . .
Cu4 Cu5 I5 Cu6 136.753(19) . .
N7 Cu7 I6 Cu5 -79.49(9) 1_566 .
I7 Cu7 I6 Cu5 61.35(3) . .
Cu6 Cu7 I6 Cu5 61.855(17) . .
I2 Cu7 I6 Cu5 173.160(16) 2_677 .
N7 Cu7 I6 Cu6 -141.35(10) 1_566 .
I7 Cu7 I6 Cu6 -0.50(2) . .
I2 Cu7 I6 Cu6 111.31(2) 2_677 .
N1 Cu5 I6 Cu7 49.49(9) 1_566 .
I5 Cu5 I6 Cu7 -74.294(19) . .
I4 Cu5 I6 Cu7 158.971(17) . .
Cu4 Cu5 I6 Cu7 -138.83(2) . .
Cu6 Cu5 I6 Cu7 -57.050(16) . .
N1 Cu5 I6 Cu6 106.54(9) 1_566 .
I5 Cu5 I6 Cu6 -17.243(16) . .
I4 Cu5 I6 Cu6 -143.98(2) . .
Cu4 Cu5 I6 Cu6 -81.78(3) . .
N5 Cu6 I6 Cu7 -115.10(9) 2_666 .
I5 Cu6 I6 Cu7 123.28(2) . .
I7 Cu6 I6 Cu7 0.432(19) . .
Cu5 Cu6 I6 Cu7 105.90(2) . .
N5 Cu6 I6 Cu5 139.00(8) 2_666 .
I5 Cu6 I6 Cu5 17.387(16) . .
Cu7 Cu6 I6 Cu5 -105.90(2) . .
I7 Cu6 I6 Cu5 -105.465(19) . .
N7 Cu7 I7 Cu1 -88.46(10) 1_566 2_677
I6 Cu7 I7 Cu1 134.27(3) . 2_677
Cu6 Cu7 I7 Cu1 133.781(18) . 2_677
I2 Cu7 I7 Cu1 20.111(15) 2_677 2_677
N7 Cu7 I7 Cu6 137.76(10) 1_566 .
I6 Cu7 I7 Cu6 0.49(2) . .
I2 Cu7 I7 Cu6 -113.670(19) 2_677 .
N5 Cu6 I7 Cu7 109.61(9) 2_666 .
I5 Cu6 I7 Cu7 -124.80(2) . .
I6 Cu6 I7 Cu7 -0.436(19) . .
Cu5 Cu6 I7 Cu7 -63.04(2) . .
N5 Cu6 I7 Cu1 55.24(9) 2_666 2_677
I5 Cu6 I7 Cu1 -179.168(16) . 2_677
Cu7 Cu6 I7 Cu1 -54.36(2) . 2_677
I6 Cu6 I7 Cu1 -54.80(2) . 2_677
Cu5 Cu6 I7 Cu1 -117.40(2) . 2_677
O4 Pr1 O1 C6 -16.7(6) 2_766 .
O7 Pr1 O1 C6 169.8(6) . .
O5 Pr1 O1 C6 -104.4(6) . .
O2 Pr1 O1 C6 46.4(6) 2_766 .
O3 Pr1 O1 C6 109.2(6) . .
O21 Pr1 O1 C6 -176.8(6) . .
O17 Pr1 O1 C6 -54.3(7) . .
O4 Pr1 O3 C12 22.5(3) 2_766 .
O1 Pr1 O3 C12 -41.5(3) . .
O7 Pr1 O3 C12 170.6(3) . .
O5 Pr1 O3 C12 -106.5(3) . .
O2 Pr1 O3 C12 85.2(3) 2_766 .
O21 Pr1 O3 C12 -118.0(3) . .
O17 Pr1 O3 C12 122.0(3) . .
O4 Pr1 O5 C18 150.8(3) 2_766 .
O1 Pr1 O5 C18 -135.9(3) . .
O7 Pr1 O5 C18 7.1(3) . .
O2 Pr1 O5 C18 89.5(3) 2_766 .
O3 Pr1 O5 C18 -71.3(3) . .
O21 Pr1 O5 C18 -59.8(3) . .
O17 Pr1 O5 C18 76.7(3) . .
O19 Pr2 O6 C18 118.7(3) . .
O18 Pr2 O6 C18 -167.5(3) . .
O11 Pr2 O6 C18 176.4(2) . .
O9 Pr2 O6 C18 44.7(3) . .
O22 Pr2 O6 C18 -20.4(3) . .
O8 Pr2 O6 C18 -103.9(3) . .
O21 Pr2 O6 C18 -35.8(3) . .
C49 Pr2 O6 C18 -29.5(3) . .
O4 Pr1 O7 C24 139.5(3) 2_766 .
O1 Pr1 O7 C24 -51.2(4) . .
O5 Pr1 O7 C24 -133.3(3) . .
O2 Pr1 O7 C24 82.7(3) 2_766 .
O3 Pr1 O7 C24 9.7(3) . .
O21 Pr1 O7 C24 -65.0(3) . .
O17 Pr1 O7 C24 157.9(4) . .
O6 Pr2 O8 C24 -2.2(2) . .
O19 Pr2 O8 C24 115.6(2) . .
O18 Pr2 O8 C24 61.4(2) . .
O11 Pr2 O8 C24 153.5(2) . .
O9 Pr2 O8 C24 -86.3(3) . .
O22 Pr2 O8 C24 -123.7(2) . .
O21 Pr2 O8 C24 -70.9(2) . .
C49 Pr2 O8 C24 -97.1(2) . .
O6 Pr2 O9 C30 165.5(2) . .
O19 Pr2 O9 C30 63.8(2) . .
O18 Pr2 O9 C30 123.1(2) . .
O11 Pr2 O9 C30 6.0(3) . .
O22 Pr2 O9 C30 -63.3(2) . .
O8 Pr2 O9 C30 -99.3(3) . .
O21 Pr2 O9 C30 -114.6(2) . .
C49 Pr2 O9 C30 -88.8(2) . .
O12 Pr3 O10 C30 -150.1(3) . .
O15 Pr3 O10 C30 -67.4(3) . .
O14 Pr3 O10 C30 143.1(3) 2_666 .
O20 Pr3 O10 C30 137.5(3) . .
O13 Pr3 O10 C30 -5.1(3) . .
O16 Pr3 O10 C30 68.6(3) 2_666 .
O22 Pr3 O10 C30 -77.4(3) . .
O15 Pr3 O10 C30 37.7(3) 2_666 .
C48 Pr3 O10 C30 52.4(3) 2_666 .
O6 Pr2 O11 C36 -177.5(3) . .
O19 Pr2 O11 C36 -115.5(3) . .
O18 Pr2 O11 C36 167.1(3) . .
O9 Pr2 O11 C36 -55.3(3) . .
O22 Pr2 O11 C36 16.6(3) . .
O8 Pr2 O11 C36 93.9(3) . .
O21 Pr2 O11 C36 40.4(3) . .
C49 Pr2 O11 C36 28.4(3) . .
O15 Pr3 O12 C36 -93.4(5) . .
O10 Pr3 O12 C36 43.9(5) . .
O14 Pr3 O12 C36 -164.3(5) 2_666 .
O20 Pr3 O12 C36 115.8(5) . .
O13 Pr3 O12 C36 -12.1(5) . .
O16 Pr3 O12 C36 114.9(5) 2_666 .
O22 Pr3 O12 C36 -26.9(5) . .
O15 Pr3 O12 C36 -151.6(4) 2_666 .
C48 Pr3 O12 C36 144.0(4) 2_666 .
O12 Pr3 O13 C42 -119.2(3) . .
O15 Pr3 O13 C42 -34.4(3) . .
O10 Pr3 O13 C42 -176.8(3) . .
O14 Pr3 O13 C42 23.7(3) 2_666 .
O20 Pr3 O13 C42 135.3(3) . .
O16 Pr3 O13 C42 94.2(3) 2_666 .
O22 Pr3 O13 C42 -104.3(3) . .
O15 Pr3 O13 C42 42.8(3) 2_666 .
C48 Pr3 O13 C42 70.7(3) 2_666 .
O12 Pr3 O15 C48 -11.3(10) . .
O10 Pr3 O15 C48 -89.6(10) . .
O14 Pr3 O15 C48 74.4(10) 2_666 .
O20 Pr3 O15 C48 44.9(10) . .
O13 Pr3 O15 C48 -149.5(10) . .
O16 Pr3 O15 C48 146.7(9) 2_666 .
O22 Pr3 O15 C48 -79.6(10) . .
O15 Pr3 O15 C48 146.9(10) 2_666 .
C48 Pr3 O15 C48 149.7(9) 2_666 .
O12 Pr3 O15 Pr3 -158.17(8) . 2_666
O10 Pr3 O15 Pr3 123.50(9) . 2_666
O14 Pr3 O15 Pr3 -72.47(8) 2_666 2_666
O20 Pr3 O15 Pr3 -101.95(13) . 2_666
O13 Pr3 O15 Pr3 63.66(8) . 2_666
O16 Pr3 O15 Pr3 -0.20(12) 2_666 2_666
O22 Pr3 O15 Pr3 133.53(9) . 2_666
O15 Pr3 O15 Pr3 0.0 2_666 2_666
C48 Pr3 O15 Pr3 2.86(9) 2_666 2_666
O4 Pr1 O17 C50 -179.3(4) 2_766 .
O1 Pr1 O17 C50 -141.9(4) . .
O7 Pr1 O17 C50 11.9(4) . .
O5 Pr1 O17 C50 -88.4(4) . .
O2 Pr1 O17 C50 99.4(4) 2_766 .
O3 Pr1 O17 C50 62.9(4) . .
O21 Pr1 O17 C50 -37.5(4) . .
O6 Pr2 O18 C51 179.2(3) . .
O19 Pr2 O18 C51 -79.7(3) . .
O11 Pr2 O18 C51 -7.0(3) . .
O9 Pr2 O18 C51 -139.4(3) . .
O22 Pr2 O18 C51 52.1(4) . .
O8 Pr2 O18 C51 60.9(3) . .
O21 Pr2 O18 C51 119.4(3) . .
C49 Pr2 O18 C51 92.7(3) . .
O6 Pr2 O19 C52 176.0(4) . .
O18 Pr2 O19 C52 105.5(4) . .
O11 Pr2 O19 C52 16.1(4) . .
O9 Pr2 O19 C52 -116.5(4) . .
O22 Pr2 O19 C52 -44.4(4) . .
O8 Pr2 O19 C52 52.7(4) . .
O21 Pr2 O19 C52 -112.9(4) . .
C49 Pr2 O19 C52 -66.0(4) . .
O12 Pr3 O20 C53 123.2(3) . .
O15 Pr3 O20 C53 61.3(4) . .
O10 Pr3 O20 C53 -149.9(3) . .
O14 Pr3 O20 C53 33.1(3) 2_666 .
O13 Pr3 O20 C53 -100.0(3) . .
O16 Pr3 O20 C53 -57.5(3) 2_666 .
O22 Pr3 O20 C53 168.6(3) . .
O15 Pr3 O20 C53 -30.3(3) 2_666 .
C48 Pr3 O20 C53 -46.5(3) 2_666 .
O4 Pr1 O21 C49 -101.9(3) 2_766 .
O1 Pr1 O21 C49 -70.0(3) . .
O7 Pr1 O21 C49 101.4(3) . .
O5 Pr1 O21 C49 -157.3(3) . .
O2 Pr1 O21 C49 49.3(4) 2_766 .
O3 Pr1 O21 C49 15.4(3) . .
O17 Pr1 O21 C49 151.9(3) . .
O4 Pr1 O21 Pr2 126.01(12) 2_766 .
O1 Pr1 O21 Pr2 157.91(11) . .
O7 Pr1 O21 Pr2 -30.65(9) . .
O5 Pr1 O21 Pr2 70.66(10) . .
O2 Pr1 O21 Pr2 -82.78(13) 2_766 .
O3 Pr1 O21 Pr2 -116.63(11) . .
O17 Pr1 O21 Pr2 19.79(13) . .
O6 Pr2 O21 C49 165.50(19) . .
O19 Pr2 O21 C49 89.9(3) . .
O18 Pr2 O21 C49 -136.25(18) . .
O11 Pr2 O21 C49 -28.7(2) . .
O9 Pr2 O21 C49 93.42(19) . .
O22 Pr2 O21 C49 1.87(17) . .
O8 Pr2 O21 C49 -78.87(19) . .
O6 Pr2 O21 Pr1 -44.53(9) . .
O19 Pr2 O21 Pr1 -120.16(18) . .
O18 Pr2 O21 Pr1 13.72(14) . .
O11 Pr2 O21 Pr1 121.27(10) . .
O9 Pr2 O21 Pr1 -116.62(11) . .
O22 Pr2 O21 Pr1 151.83(14) . .
O8 Pr2 O21 Pr1 71.10(10) . .
C49 Pr2 O21 Pr1 150.0(2) . .
O6 Pr2 O22 C49 -21.3(2) . .
O19 Pr2 O22 C49 -149.79(18) . .
O18 Pr2 O22 C49 90.9(2) . .
O11 Pr2 O22 C49 152.13(19) . .
O9 Pr2 O22 C49 -80.36(19) . .
O8 Pr2 O22 C49 82.12(19) . .
O21 Pr2 O22 C49 -1.87(17) . .
O6 Pr2 O22 Pr3 121.32(10) . .
O19 Pr2 O22 Pr3 -7.21(14) . .
O18 Pr2 O22 Pr3 -126.49(13) . .
O11 Pr2 O22 Pr3 -65.28(10) . .
O9 Pr2 O22 Pr3 62.22(10) . .
O8 Pr2 O22 Pr3 -135.30(11) . .
O21 Pr2 O22 Pr3 140.72(14) . .
C49 Pr2 O22 Pr3 142.6(2) . .
O12 Pr3 O22 C49 -166.8(3) . .
O15 Pr3 O22 C49 -66.7(3) . .
O10 Pr3 O22 C49 106.0(3) . .
O14 Pr3 O22 C49 -100.8(3) 2_666 .
O20 Pr3 O22 C49 147.9(3) . .
O13 Pr3 O22 C49 23.8(3) . .
O16 Pr3 O22 C49 50.4(3) 2_666 .
O15 Pr3 O22 C49 -11.0(3) 2_666 .
C48 Pr3 O22 C49 17.8(3) 2_666 .
O12 Pr3 O22 Pr2 65.02(10) . .
O15 Pr3 O22 Pr2 165.15(12) . .
O10 Pr3 O22 Pr2 -22.18(9) . .
O14 Pr3 O22 Pr2 131.01(10) 2_666 .
O20 Pr3 O22 Pr2 19.70(14) . .
O13 Pr3 O22 Pr2 -104.43(11) . .
O16 Pr3 O22 Pr2 -77.84(14) 2_666 .
O15 Pr3 O22 Pr2 -139.15(8) 2_666 .
C48 Pr3 O22 Pr2 -110.35(12) 2_666 .
I4 Cu4 N2 C11 158.0(3) . .
I5 Cu4 N2 C11 21.8(3) . .
Cu5 Cu4 N2 C11 90.3(3) . .
I4 Cu4 N2 C11 -86.2(3) 2_777 .
Cu4 Cu4 N2 C11 -138.1(3) 2_777 .
I4 Cu4 N2 C7 -25.8(3) . .
I5 Cu4 N2 C7 -162.0(2) . .
Cu5 Cu4 N2 C7 -93.5(3) . .
I4 Cu4 N2 C7 90.0(3) 2_777 .
Cu4 Cu4 N2 C7 38.1(3) 2_777 .
I1 Cu1 N6 C35 143.0(3) . .
I2 Cu1 N6 C35 -91.7(3) . .
I7 Cu1 N6 C35 19.5(3) 2_677 .
Cu2 Cu1 N6 C35 -155.3(3) . .
I1 Cu1 N6 C31 -54.8(3) . .
I2 Cu1 N6 C31 70.5(3) . .
I7 Cu1 N6 C31 -178.3(2) 2_677 .
Cu2 Cu1 N6 C31 6.9(3) . .
I3 Cu3 N8 C47 -163.5(2) . .
I2 Cu3 N8 C47 72.6(3) . .
I4 Cu3 N8 C47 -41.2(3) . .
I3 Cu3 N8 C43 22.4(3) . .
I2 Cu3 N8 C43 -101.4(3) . .
I4 Cu3 N8 C43 144.8(3) . .
C5 N1 C1 C2 -2.0(6) . .
Cu5 N1 C1 C2 178.2(3) 1_544 .
N1 C1 C2 C3 1.0(6) . .
C1 C2 C3 C4 0.2(5) . .
C1 C2 C3 C6 -175.7(3) . .
C2 C3 C4 C5 -0.3(5) . .
C6 C3 C4 C5 175.7(3) . .
C1 N1 C5 C4 1.9(6) . .
Cu5 N1 C5 C4 -178.3(3) 1_544 .
C3 C4 C5 N1 -0.8(6) . .
Pr1 O1 C6 O2 -79.7(7) . .
Pr1 O1 C6 C3 98.3(6) . .
Pr1 O2 C6 O1 43.2(4) 2_766 .
Pr1 O2 C6 C3 -134.8(2) 2_766 .
C4 C3 C6 O1 -167.6(3) . .
C2 C3 C6 O1 8.2(5) . .
C4 C3 C6 O2 10.5(5) . .
C2 C3 C6 O2 -173.6(3) . .
C11 N2 C7 C8 -0.1(5) . .
Cu4 N2 C7 C8 -176.4(3) . .
N2 C7 C8 C9 1.7(5) . .
C7 C8 C9 C10 -1.8(5) . .
C7 C8 C9 C12 174.0(3) . .
C8 C9 C10 C11 0.4(5) . .
C12 C9 C10 C11 -175.4(3) . .
C7 N2 C11 C10 -1.5(6) . .
Cu4 N2 C11 C10 174.9(3) . .
C9 C10 C11 N2 1.3(6) . .
Pr1 O3 C12 O4 15.4(5) . .
Pr1 O3 C12 C9 -161.9(2) . .
Pr1 O4 C12 O3 -59.2(5) 2_766 .
Pr1 O4 C12 C9 118.1(3) 2_766 .
C10 C9 C12 O3 -172.6(3) . .
C8 C9 C12 O3 11.7(5) . .
C10 C9 C12 O4 9.8(5) . .
C8 C9 C12 O4 -165.9(3) . .
C17 N3 C13 C14 -2.2(6) . .
Cu2 N3 C13 C14 170.7(3) 1_544 .
N3 C13 C14 C15 0.5(6) . .
C13 C14 C15 C16 1.2(6) . .
C13 C14 C15 C18 -177.1(3) . .
C14 C15 C16 C17 -1.1(5) . .
C18 C15 C16 C17 177.2(3) . .
C13 N3 C17 C16 2.3(6) . .
Cu2 N3 C17 C16 -170.3(3) 1_544 .
C15 C16 C17 N3 -0.7(6) . .
Pr1 O5 C18 O6 1.7(5) . .
Pr1 O5 C18 C15 -178.10(19) . .
Pr2 O6 C18 O5 69.1(4) . .
Pr2 O6 C18 C15 -111.1(3) . .
C16 C15 C18 O5 -171.1(3) . .
C14 C15 C18 O5 7.1(5) . .
C16 C15 C18 O6 9.1(5) . .
C14 C15 C18 O6 -172.7(3) . .
C23 N4 C19 C20 0.3(7) . .
N4 C19 C20 C21 -1.8(7) . .
C19 C20 C21 C22 0.9(6) . .
C19 C20 C21 C24 178.9(4) . .
C20 C21 C22 C23 1.3(7) . .
C24 C21 C22 C23 -176.8(4) . .
C19 N4 C23 C22 2.1(8) . .
C21 C22 C23 N4 -2.9(8) . .
Pr2 O8 C24 O7 25.7(4) . .
Pr2 O8 C24 C21 -150.3(3) . .
Pr1 O7 C24 O8 77.0(5) . .
Pr1 O7 C24 C21 -106.9(4) . .
C20 C21 C24 O8 154.9(4) . .
C22 C21 C24 O8 -27.0(6) . .
C20 C21 C24 O7 -21.4(5) . .
C22 C21 C24 O7 156.6(4) . .
C29 N5 C25 C26 -0.8(6) . .
Cu6 N5 C25 C26 167.5(3) 2_666 .
N5 C25 C26 C27 0.4(6) . .
C25 C26 C27 C28 0.2(6) . .
C25 C26 C27 C30 178.9(3) . .
C26 C27 C28 C29 -0.4(5) . .
C30 C27 C28 C29 -179.1(3) . .
C25 N5 C29 C28 0.6(5) . .
Cu6 N5 C29 C28 -166.6(3) 2_666 .
C27 C28 C29 N5 0.0(6) . .
Pr2 O9 C30 O10 15.7(4) . .
Pr2 O9 C30 C27 -161.7(2) . .
Pr3 O10 C30 O9 90.9(4) . .
Pr3 O10 C30 C27 -91.7(4) . .
C26 C27 C30 O9 -5.4(5) . .
C28 C27 C30 O9 173.3(3) . .
C26 C27 C30 O10 177.1(3) . .
C28 C27 C30 O10 -4.2(5) . .
C35 N6 C31 C32 3.6(5) . .
Cu1 N6 C31 C32 -159.0(3) . .
N6 C31 C32 C33 2.7(5) . .
C31 C32 C33 C34 -5.9(5) . .
C31 C32 C33 C36 170.5(3) . .
C32 C33 C34 C35 2.9(5) . .
C36 C33 C34 C35 -173.5(3) . .
C31 N6 C35 C34 -6.8(6) . .
Cu1 N6 C35 C34 155.8(3) . .
C33 C34 C35 N6 3.6(6) . .
Pr3 O12 C36 O11 -15.6(7) . .
Pr3 O12 C36 C33 163.1(3) . .
Pr2 O11 C36 O12 21.1(5) . .
Pr2 O11 C36 C33 -157.6(2) . .
C34 C33 C36 O12 27.9(5) . .
C32 C33 C36 O12 -148.4(3) . .
C34 C33 C36 O11 -153.3(3) . .
C32 C33 C36 O11 30.4(5) . .
C41 N7 C37 C38 2.4(6) . .
Cu7 N7 C37 C38 -174.1(3) 1_544 .
N7 C37 C38 C39 1.5(6) . .
C37 C38 C39 C40 -3.9(5) . .
C37 C38 C39 C42 174.8(3) . .
C38 C39 C40 C41 2.5(5) . .
C42 C39 C40 C41 -176.2(3) . .
C37 N7 C41 C40 -3.9(6) . .
Cu7 N7 C41 C40 172.5(3) 1_544 .
C39 C40 C41 N7 1.5(6) . .
Pr3 O13 C42 O14 24.7(5) . .
Pr3 O13 C42 C39 -152.7(2) . .
Pr3 O14 C42 O13 -62.0(4) 2_666 .
Pr3 O14 C42 C39 115.4(3) 2_666 .
C38 C39 C42 O13 16.0(5) . .
C40 C39 C42 O13 -165.3(3) . .
C38 C39 C42 O14 -161.6(3) . .
C40 C39 C42 O14 17.0(5) . .
C47 N8 C43 C44 -2.1(5) . .
Cu3 N8 C43 C44 172.1(3) . .
N8 C43 C44 C45 1.0(5) . .
C43 C44 C45 C46 1.1(5) . .
C43 C44 C45 C48 -176.6(3) . .
C44 C45 C46 C47 -2.1(5) . .
C48 C45 C46 C47 175.6(3) . .
C43 N8 C47 C46 1.0(5) . .
Cu3 N8 C47 C46 -173.4(3) . .
C45 C46 C47 N8 1.1(6) . .
Pr3 O16 C48 O15 14.3(4) 2_666 .
Pr3 O16 C48 C45 -162.9(2) 2_666 .
Pr3 O15 C48 O16 -160.4(8) . .
Pr3 O15 C48 O16 -12.4(3) 2_666 .
Pr3 O15 C48 C45 16.9(12) . .
Pr3 O15 C48 C45 164.9(3) 2_666 .
Pr3 O15 C48 Pr3 -148.0(10) . 2_666
C44 C45 C48 O16 -162.6(3) . .
C46 C45 C48 O16 19.7(5) . .
C44 C45 C48 O15 20.0(5) . .
C46 C45 C48 O15 -157.6(3) . .
C44 C45 C48 Pr3 138.8(7) . 2_666
C46 C45 C48 Pr3 -38.9(10) . 2_666
Pr1 O21 C49 O22 -142.8(3) . .
Pr2 O21 C49 O22 -3.4(3) . .
Pr1 O21 C49 Pr2 -139.5(3) . .
Pr2 O22 C49 O21 3.5(3) . .
Pr3 O22 C49 O21 -133.1(3) . .
Pr3 O22 C49 Pr2 -136.6(2) . .
O6 Pr2 C49 O21 -14.31(19) . .
O19 Pr2 C49 O21 -131.09(19) . .
O18 Pr2 C49 O21 61.6(2) . .
O11 Pr2 C49 O21 155.79(18) . .
O9 Pr2 C49 O21 -81.06(18) . .
O22 Pr2 C49 O21 -176.6(3) . .
O8 Pr2 C49 O21 93.53(19) . .
O6 Pr2 C49 O22 162.32(18) . .
O19 Pr2 C49 O22 45.5(3) . .
O18 Pr2 C49 O22 -121.78(18) . .
O11 Pr2 C49 O22 -27.58(19) . .
O9 Pr2 C49 O22 95.56(19) . .
O8 Pr2 C49 O22 -89.84(19) . .
O21 Pr2 C49 O22 176.6(3) . .
Pr1 O17 C50 N9 21.2(7) . .
Pr2 O18 C51 N10 9.2(6) . .
Pr2 O19 C52 N11 56.3(6) . .
Pr3 O20 C53 N12 -23.6(6) . .
