# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1419817'
_audit_update_record             
;
2015-08-20 deposited with the CCDC.
2016-09-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            1
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H32 N10 O34 Pr2'
_chemical_formula_weight         1286.42

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'
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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.1960(7)
_cell_length_b                   13.4174(9)
_cell_length_c                   16.1522(10)
_cell_angle_alpha                70.3200(10)
_cell_angle_beta                 70.0300(10)
_cell_angle_gamma                86.3370(10)
_cell_volume                     2143.7(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.138
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.045
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.993
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1272
_exptl_absorpt_coefficient_mu    2.369
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.728
_exptl_absorpt_correction_T_max  0.899
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15491
_diffrn_reflns_av_R_equivalents  0.0095
_diffrn_reflns_av_sigmaI/netI    0.0137
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.42
_diffrn_reflns_theta_max         26.00
_reflns_number_total             8300
_reflns_number_gt                7261
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0222P)²+3.2752P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8300
_refine_ls_number_parameters     631
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0228
_refine_ls_R_factor_gt           0.0190
_refine_ls_wR_factor_ref         0.0500
_refine_ls_wR_factor_gt          0.0469
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pr1 Pr 0.955188(10) 0.165063(9) 0.550184(7) 0.00653(4) Uani 1 1 d . . .
Pr2 Pr 0.548424(10) 0.335395(9) 0.443515(7) 0.00676(4) Uani 1 1 d . . .
O1 O 0.91040(15) -0.02397(12) 0.61693(11) 0.0123(3) Uani 1 1 d . . .
O2 O 0.88399(15) -0.18111(13) 0.60426(11) 0.0124(3) Uani 1 1 d . . .
O3 O 0.72924(14) 0.16701(12) 0.64237(10) 0.0113(3) Uani 1 1 d . . .
O4 O 0.59840(14) 0.18082(12) 0.56058(10) 0.0098(3) Uani 1 1 d . . .
O5 O 0.90076(14) 0.32510(12) 0.44223(10) 0.0096(3) Uani 1 1 d . . .
O6 O 0.77418(14) 0.33809(12) 0.35768(10) 0.0116(3) Uani 1 1 d . . .
O7 O 0.61592(15) 0.66882(13) 0.40929(11) 0.0133(3) Uani 1 1 d . . .
O8 O 0.58475(15) 0.52580(12) 0.37612(11) 0.0144(3) Uani 1 1 d . . .
O9 O 0.94866(15) 0.11624(13) 0.71798(11) 0.0135(3) Uani 1 1 d . . .
H9A H 0.9577 0.0502 0.7396 0.020 Uiso 1 1 d R . .
H9B H 1.0087 0.1507 0.7194 0.020 Uiso 1 1 d R . .
O10 O 1.16059(14) 0.08206(12) 0.56359(11) 0.0119(3) Uani 1 1 d . . .
H10B H 1.1733 0.0217 0.5409 0.018 Uiso 1 1 d R . .
H10C H 1.1555 0.0576 0.6292 0.018 Uiso 1 1 d R . .
O11 O 0.83346(15) 0.11403(12) 0.46491(11) 0.0120(3) Uani 1 1 d . . .
H11B H 0.8671 0.0500 0.4511 0.018 Uiso 1 1 d R . .
H11D H 0.7434 0.1001 0.5040 0.018 Uiso 1 1 d R . .
O12 O 1.11471(15) 0.31207(13) 0.52343(11) 0.0134(3) Uani 1 1 d . . .
O13 O 0.92377(15) 0.32636(13) 0.61137(11) 0.0134(3) Uani 1 1 d . . .
O14 O 1.07387(17) 0.44535(14) 0.57530(13) 0.0227(4) Uani 1 1 d . . .
O15 O 0.66424(15) 0.39442(13) 0.52930(11) 0.0139(3) Uani 1 1 d . . .
H15A H 0.6295 0.4598 0.5397 0.021 Uiso 1 1 d R . .
H15B H 0.7550 0.4075 0.4919 0.021 Uiso 1 1 d R . .
O16 O 0.57330(16) 0.36909(13) 0.27531(11) 0.0169(4) Uani 1 1 d . . .
H16D H 0.6579 0.3497 0.2429 0.025 Uiso 1 1 d R . .
H16C H 0.5362 0.4209 0.2399 0.025 Uiso 1 1 d R . .
O17 O 0.34984(15) 0.41862(13) 0.41472(12) 0.0177(4) Uani 1 1 d . . .
H17C H 0.2768 0.3673 0.4512 0.027 Uiso 1 1 d R . .
H17D H 0.3314 0.4731 0.3715 0.027 Uiso 1 1 d R . .
O18 O 0.59235(15) 0.16387(13) 0.39198(11) 0.0128(3) Uani 1 1 d . . .
O19 O 0.39610(15) 0.18814(13) 0.46314(11) 0.0138(3) Uani 1 1 d . . .
O20 O 0.44109(17) 0.05290(14) 0.41387(13) 0.0223(4) Uani 1 1 d . . .
O21 O 0.71601(18) 0.25031(15) 0.16614(12) 0.0274(4) Uani 1 1 d . . .
O22 O 0.84000(18) 0.20508(15) 0.05035(13) 0.0287(5) Uani 1 1 d . . .
O23 O 0.86262(19) 0.36346(15) 0.05284(13) 0.0275(4) Uani 1 1 d . . .
O24 O 0.02755(17) 0.09123(15) 0.17025(11) 0.0243(4) Uani 1 1 d . . .
O25 O 0.1040(2) 0.01842(15) 0.06244(13) 0.0298(5) Uani 1 1 d . . .
O26 O 0.15500(19) 0.18208(15) 0.03200(12) 0.0275(4) Uani 1 1 d . . .
O27 O 0.4832(3) 0.5264(3) 0.15689(16) 0.0963(15) Uani 1 1 d . . .
O28 O 0.6124(2) 0.47836(19) 0.04693(19) 0.0619(9) Uani 1 1 d . . .
O29 O 0.6311(2) 0.6365(2) 0.04250(17) 0.0431(6) Uani 1 1 d . . .
O30 O 0.20816(17) 0.77941(15) 0.16824(12) 0.0245(4) Uani 1 1 d . . .
O31 O 0.35525(19) 0.72607(15) 0.06872(14) 0.0337(5) Uani 1 1 d . . .
O32 O 0.35564(18) 0.89261(15) 0.05441(13) 0.0250(4) Uani 1 1 d . . .
N1 N 0.54163(19) -0.19824(16) 0.89941(13) 0.0165(4) Uani 1 1 d . . .
H1B H 0.4781 -0.2168 0.9530 0.020 Uiso 1 1 calc R . .
N2 N 0.31680(19) 0.08431(16) 0.89300(13) 0.0156(4) Uani 1 1 d . . .
H2B H 0.2550 0.0660 0.9475 0.019 Uiso 1 1 calc R . .
N3 N 1.18469(19) 0.44208(17) 0.10992(14) 0.0193(4) Uani 1 1 d . . .
H3A H 1.2467 0.4641 0.0556 0.023 Uiso 1 1 calc R . .
N4 N 0.96401(19) 0.71284(16) 0.11054(13) 0.0164(4) Uani 1 1 d . . .
H4B H 1.0303 0.7340 0.0587 0.020 Uiso 1 1 calc R . .
N5 N 1.03773(18) 0.36412(15) 0.57055(13) 0.0121(4) Uani 1 1 d . . .
N6 N 0.47619(18) 0.13198(15) 0.42255(13) 0.0121(4) Uani 1 1 d . . .
N7 N 0.8058(2) 0.27490(17) 0.09002(14) 0.0184(4) Uani 1 1 d . . .
N8 N 0.09464(19) 0.09746(17) 0.08778(14) 0.0175(4) Uani 1 1 d . . .
N9 N 0.5756(3) 0.5486(2) 0.08183(16) 0.0419(8) Uani 1 1 d . . .
N10 N 0.30545(19) 0.80144(17) 0.09682(13) 0.0173(4) Uani 1 1 d . . .
C1 C 0.6090(2) -0.10661(19) 0.87188(16) 0.0151(5) Uani 1 1 d . . .
H1A H 0.5873 -0.0627 0.9097 0.018 Uiso 1 1 calc R . .
C2 C 0.7096(2) -0.07637(18) 0.78867(15) 0.0122(4) Uani 1 1 d . . .
H2A H 0.7573 -0.0112 0.7683 0.015 Uiso 1 1 calc R . .
C3 C 0.7405(2) -0.14262(17) 0.73477(15) 0.0101(4) Uani 1 1 d . . .
C4 C 0.6675(2) -0.23607(19) 0.76468(16) 0.0155(5) Uani 1 1 d . . .
H4A H 0.6863 -0.2812 0.7280 0.019 Uiso 1 1 calc R . .
C5 C 0.5675(2) -0.2627(2) 0.84834(17) 0.0189(5) Uani 1 1 d . . .
H5A H 0.5170 -0.3265 0.8698 0.023 Uiso 1 1 calc R . .
C6 C 0.8544(2) -0.11314(17) 0.64405(15) 0.0097(4) Uani 1 1 d . . .
C7 C 0.3931(2) 0.1700(2) 0.86796(16) 0.0170(5) Uani 1 1 d . . .
H7A H 0.3786 0.2109 0.9080 0.020 Uiso 1 1 calc R . .
C8 C 0.4926(2) 0.19882(19) 0.78425(16) 0.0144(5) Uani 1 1 d . . .
H8A H 0.5485 0.2584 0.7668 0.017 Uiso 1 1 calc R . .
C9 C 0.5101(2) 0.13919(18) 0.72531(15) 0.0104(4) Uani 1 1 d . . .
C10 C 0.4266(2) 0.05287(19) 0.75205(16) 0.0154(5) Uani 1 1 d . . .
H10A H 0.4353 0.0133 0.7116 0.019 Uiso 1 1 calc R . .
C11 C 0.3311(2) 0.0253(2) 0.83786(17) 0.0179(5) Uani 1 1 d . . .
H11A H 0.2754 -0.0353 0.8581 0.022 Uiso 1 1 calc R . .
C12 C 0.6217(2) 0.16553(17) 0.63469(15) 0.0093(4) Uani 1 1 d . . .
C13 C 1.1719(3) 0.4921(2) 0.17148(18) 0.0245(6) Uani 1 1 d . . .
H13A H 1.2280 0.5511 0.1556 0.029 Uiso 1 1 calc R . .
C14 C 1.0775(2) 0.4577(2) 0.25769(17) 0.0196(5) Uani 1 1 d . . .
H14A H 1.0707 0.4897 0.3033 0.024 Uiso 1 1 calc R . .
C15 C 0.9925(2) 0.37540(18) 0.27671(15) 0.0110(4) Uani 1 1 d . . .
C16 C 1.0069(2) 0.3267(2) 0.21055(17) 0.0180(5) Uani 1 1 d . . .
H16A H 0.9484 0.2711 0.2225 0.022 Uiso 1 1 calc R . .
C17 C 1.1071(2) 0.3603(2) 0.12768(17) 0.0205(5) Uani 1 1 d . . .
H17A H 1.1212 0.3254 0.0831 0.025 Uiso 1 1 calc R . .
C18 C 0.8803(2) 0.34252(17) 0.36674(15) 0.0090(4) Uani 1 1 d . . .
C19 C 0.9336(2) 0.7714(2) 0.16689(16) 0.0161(5) Uani 1 1 d . . .
H19A H 0.9825 0.8349 0.1504 0.019 Uiso 1 1 calc R . .
C20 C 0.8309(2) 0.73900(19) 0.24908(16) 0.0138(5) Uani 1 1 d . . .
H20A H 0.8095 0.7791 0.2902 0.017 Uiso 1 1 calc R . .
C21 C 0.7589(2) 0.64684(18) 0.27099(15) 0.0112(4) Uani 1 1 d . . .
C22 C 0.7929(2) 0.58819(19) 0.21030(15) 0.0139(5) Uani 1 1 d . . .
H22A H 0.7449 0.5252 0.2242 0.017 Uiso 1 1 calc R . .
C23 C 0.8972(2) 0.62322(19) 0.13004(16) 0.0171(5) Uani 1 1 d . . .
H23A H 0.9221 0.5839 0.0883 0.021 Uiso 1 1 calc R . .
C24 C 0.6437(2) 0.61028(18) 0.35988(15) 0.0100(4) Uani 1 1 d . . .
O1W O 1.22076(17) -0.04294(14) 0.70732(12) 0.0208(4) Uani 1 1 d . . .
H1W1 H 0.2341 0.6180 0.2987 0.031 Uiso 1 1 d R . .
H1W2 H 0.3375 0.6014 0.2309 0.031 Uiso 1 1 d R . .
O2W O 0.29900(19) 0.58418(16) 0.28683(12) 0.0292(5) Uani 1 1 d . . .
H2W1 H 1.1587 -0.0826 0.7572 0.044 Uiso 1 1 d R . .
H2W2 H 1.2686 -0.0961 0.6941 0.044 Uiso 1 1 d R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pr1 O1 2.4079(15) . ?
Pr1 O5 2.4616(15) . ?
Pr1 O3 2.4622(15) . ?
Pr1 O2 2.4761(15) 2_756 ?
Pr1 O11 2.5020(15) . ?
Pr1 O10 2.5350(15) . ?
Pr1 O9 2.5407(15) . ?
Pr1 O12 2.5721(16) . ?
Pr1 O13 2.6248(16) . ?
Pr2 O8 2.4154(16) . ?
Pr2 O6 2.4282(15) . ?
Pr2 O7 2.4445(15) 2_666 ?
Pr2 O4 2.4745(15) . ?
Pr2 O15 2.5152(16) . ?
Pr2 O16 2.5170(16) . ?
Pr2 O17 2.5389(16) . ?
Pr2 O19 2.5597(16) . ?
Pr2 O18 2.6640(16) . ?
O1 C6 1.254(3) . ?
O2 C6 1.251(3) . ?
O2 Pr1 2.4761(15) 2_756 ?
O3 C12 1.254(3) . ?
O4 C12 1.259(3) . ?
O5 C18 1.259(3) . ?
O6 C18 1.253(3) . ?
O7 C24 1.254(3) . ?
O7 Pr2 2.4445(15) 2_666 ?
O8 C24 1.252(3) . ?
O9 H9A 0.8500 . ?
O9 H9B 0.8500 . ?
O10 H10B 0.9801 . ?
O10 H10C 0.9801 . ?
O11 H11B 0.9800 . ?
O11 H11D 0.9801 . ?
O12 N5 1.282(2) . ?
O13 N5 1.266(2) . ?
O14 N5 1.221(3) . ?
O15 H15A 0.9800 . ?
O15 H15B 0.9798 . ?
O16 H16D 0.9801 . ?
O16 H16C 0.9164 . ?
O17 H17C 0.9800 . ?
O17 H17D 0.8937 . ?
O18 N6 1.268(2) . ?
O19 N6 1.283(2) . ?
O20 N6 1.221(3) . ?
O21 N7 1.247(3) . ?
O22 N7 1.275(3) . ?
O23 N7 1.238(3) . ?
O24 N8 1.263(3) . ?
O25 N8 1.246(3) . ?
O26 N8 1.245(3) . ?
O27 N9 1.252(3) . ?
O28 N9 1.236(4) . ?
O29 N9 1.225(4) . ?
O30 N10 1.248(3) . ?
O31 N10 1.266(3) . ?
O32 N10 1.242(3) . ?
N1 C5 1.340(3) . ?
N1 C1 1.341(3) . ?
N1 H1B 0.8800 . ?
N2 C7 1.339(3) . ?
N2 C11 1.345(3) . ?
N2 H2B 0.8800 . ?
N3 C17 1.334(3) . ?
N3 C13 1.342(3) . ?
N3 H3A 0.8800 . ?
N4 C19 1.341(3) . ?
N4 C23 1.343(3) . ?
N4 H4B 0.8800 . ?
C1 C2 1.377(3) . ?
C1 H1A 0.9500 . ?
C2 C3 1.394(3) . ?
C2 H2A 0.9500 . ?
C3 C4 1.388(3) . ?
C3 C6 1.526(3) . ?
C4 C5 1.378(3) . ?
C4 H4A 0.9500 . ?
C5 H5A 0.9500 . ?
C7 C8 1.375(3) . ?
C7 H7A 0.9500 . ?
C8 C9 1.397(3) . ?
C8 H8A 0.9500 . ?
C9 C10 1.388(3) . ?
C9 C12 1.513(3) . ?
C10 C11 1.376(3) . ?
C10 H10A 0.9500 . ?
C11 H11A 0.9500 . ?
C13 C14 1.376(3) . ?
C13 H13A 0.9500 . ?
C14 C15 1.388(3) . ?
C14 H14A 0.9500 . ?
C15 C16 1.390(3) . ?
C15 C18 1.510(3) . ?
C16 C17 1.373(3) . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9500 . ?
C19 C20 1.381(3) . ?
C19 H19A 0.9500 . ?
C20 C21 1.393(3) . ?
C20 H20A 0.9500 . ?
C21 C22 1.397(3) . ?
C21 C24 1.519(3) . ?
C22 C23 1.375(3) . ?
C22 H22A 0.9500 . ?
C23 H23A 0.9500 . ?
O1W H2W1 0.8893 . ?
O1W H2W2 0.9040 . ?
O2W H1W1 0.8317 . ?
O2W H1W2 0.8134 . ?

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
_geom_angle_publ_flag
O1 Pr1 O5 141.63(5) . . ?
O1 Pr1 O3 82.56(5) . . ?
O5 Pr1 O3 81.35(5) . . ?
O1 Pr1 O2 101.01(5) . 2_756 ?
O5 Pr1 O2 76.04(5) . 2_756 ?
O3 Pr1 O2 147.45(5) . 2_756 ?
O1 Pr1 O11 72.22(5) . . ?
O5 Pr1 O11 70.00(5) . . ?
O3 Pr1 O11 74.67(5) . . ?
O2 Pr1 O11 75.73(5) 2_756 . ?
O1 Pr1 O10 72.97(5) . . ?
O5 Pr1 O10 135.04(5) . . ?
O3 Pr1 O10 141.94(5) . . ?
O2 Pr1 O10 67.63(5) 2_756 . ?
O11 Pr1 O10 122.30(5) . . ?
O1 Pr1 O9 74.75(5) . . ?
O5 Pr1 O9 132.79(5) . . ?
O3 Pr1 O9 74.93(5) . . ?
O2 Pr1 O9 137.45(5) 2_756 . ?
O11 Pr1 O9 137.31(5) . . ?
O10 Pr1 O9 70.82(5) . . ?
O1 Pr1 O12 142.29(5) . . ?
O5 Pr1 O12 75.13(5) . . ?
O3 Pr1 O12 119.92(5) . . ?
O2 Pr1 O12 76.43(5) 2_756 . ?
O11 Pr1 O12 139.50(5) . . ?
O10 Pr1 O12 71.41(5) . . ?
O9 Pr1 O12 82.25(5) . . ?
O1 Pr1 O13 136.92(5) . . ?
O5 Pr1 O13 67.69(5) . . ?
O3 Pr1 O13 70.77(5) . . ?
O2 Pr1 O13 119.77(5) 2_756 . ?
O11 Pr1 O13 128.22(5) . . ?
O10 Pr1 O13 108.62(5) . . ?
O9 Pr1 O13 66.13(5) . . ?
O12 Pr1 O13 49.19(5) . . ?
O8 Pr2 O6 83.10(5) . . ?
O8 Pr2 O7 96.83(5) . 2_666 ?
O6 Pr2 O7 147.09(5) . 2_666 ?
O8 Pr2 O4 141.08(5) . . ?
O6 Pr2 O4 82.90(5) . . ?
O7 Pr2 O4 76.67(5) 2_666 . ?
O8 Pr2 O15 71.91(5) . . ?
O6 Pr2 O15 73.40(5) . . ?
O7 Pr2 O15 75.34(5) 2_666 . ?
O4 Pr2 O15 69.32(5) . . ?
O8 Pr2 O16 77.66(5) . . ?
O6 Pr2 O16 72.49(5) . . ?
O7 Pr2 O16 139.87(5) 2_666 . ?
O4 Pr2 O16 131.09(5) . . ?
O15 Pr2 O16 136.33(5) . . ?
O8 Pr2 O17 70.24(5) . . ?
O6 Pr2 O17 138.75(5) . . ?
O7 Pr2 O17 69.35(5) 2_666 . ?
O4 Pr2 O17 136.99(5) . . ?
O15 Pr2 O17 123.50(5) . . ?
O16 Pr2 O17 71.47(5) . . ?
O8 Pr2 O19 140.07(5) . . ?
O6 Pr2 O19 120.31(5) . . ?
O7 Pr2 O19 80.15(5) 2_666 . ?
O4 Pr2 O19 77.43(5) . . ?
O15 Pr2 O19 142.26(5) . . ?
O16 Pr2 O19 79.67(5) . . ?
O17 Pr2 O19 71.56(5) . . ?
O8 Pr2 O18 139.92(5) . . ?
O6 Pr2 O18 71.46(5) . . ?
O7 Pr2 O18 121.36(5) 2_666 . ?
O4 Pr2 O18 66.76(5) . . ?
O15 Pr2 O18 125.97(5) . . ?
O16 Pr2 O18 65.55(5) . . ?
O17 Pr2 O18 109.99(5) . . ?
O19 Pr2 O18 48.94(5) . . ?
C6 O1 Pr1 160.58(15) . . ?
C6 O2 Pr1 128.89(14) . 2_756 ?
C12 O3 Pr1 139.44(14) . . ?
C12 O4 Pr2 135.56(13) . . ?
C18 O5 Pr1 132.60(13) . . ?
C18 O6 Pr2 140.64(14) . . ?
C24 O7 Pr2 135.71(15) . 2_666 ?
C24 O8 Pr2 151.77(15) . . ?
Pr1 O9 H9A 109.4 . . ?
Pr1 O9 H9B 109.4 . . ?
H9A O9 H9B 109.5 . . ?
Pr1 O10 H10B 109.4 . . ?
Pr1 O10 H10C 109.4 . . ?
H10B O10 H10C 109.5 . . ?
Pr1 O11 H11B 109.4 . . ?
Pr1 O11 H11D 109.4 . . ?
H11B O11 H11D 109.5 . . ?
N5 O12 Pr1 98.30(12) . . ?
N5 O13 Pr1 96.20(12) . . ?
Pr2 O15 H15A 109.4 . . ?
Pr2 O15 H15B 109.4 . . ?
H15A O15 H15B 109.5 . . ?
Pr2 O16 H16D 109.4 . . ?
Pr2 O16 H16C 126.1 . . ?
H16D O16 H16C 117.2 . . ?
Pr2 O17 H17C 109.4 . . ?
Pr2 O17 H17D 137.2 . . ?
H17C O17 H17D 111.1 . . ?
N6 O18 Pr2 95.13(12) . . ?
N6 O19 Pr2 99.74(12) . . ?
C5 N1 C1 122.5(2) . . ?
C5 N1 H1B 118.8 . . ?
C1 N1 H1B 118.8 . . ?
C7 N2 C11 122.4(2) . . ?
C7 N2 H2B 118.8 . . ?
C11 N2 H2B 118.8 . . ?
C17 N3 C13 122.7(2) . . ?
C17 N3 H3A 118.7 . . ?
C13 N3 H3A 118.7 . . ?
C19 N4 C23 122.6(2) . . ?
C19 N4 H4B 118.7 . . ?
C23 N4 H4B 118.7 . . ?
O14 N5 O13 122.62(19) . . ?
O14 N5 O12 121.11(19) . . ?
O13 N5 O12 116.27(18) . . ?
O20 N6 O18 122.61(19) . . ?
O20 N6 O19 121.22(19) . . ?
O18 N6 O19 116.17(18) . . ?
O23 N7 O21 122.4(2) . . ?
O23 N7 O22 119.6(2) . . ?
O21 N7 O22 118.0(2) . . ?
O25 N8 O26 119.5(2) . . ?
O25 N8 O24 120.4(2) . . ?
O26 N8 O24 120.0(2) . . ?
O29 N9 O28 119.0(2) . . ?
O29 N9 O27 122.7(3) . . ?
O28 N9 O27 118.2(3) . . ?
O32 N10 O30 122.8(2) . . ?
O32 N10 O31 119.6(2) . . ?
O30 N10 O31 117.6(2) . . ?
N1 C1 C2 119.9(2) . . ?
N1 C1 H1A 120.1 . . ?
C2 C1 H1A 120.1 . . ?
C1 C2 C3 119.1(2) . . ?
C1 C2 H2A 120.4 . . ?
C3 C2 H2A 120.4 . . ?
C4 C3 C2 119.5(2) . . ?
C4 C3 C6 120.2(2) . . ?
C2 C3 C6 120.3(2) . . ?
C5 C4 C3 119.2(2) . . ?
C5 C4 H4A 120.4 . . ?
C3 C4 H4A 120.4 . . ?
N1 C5 C4 119.9(2) . . ?
N1 C5 H5A 120.1 . . ?
C4 C5 H5A 120.1 . . ?
O2 C6 O1 126.1(2) . . ?
O2 C6 C3 116.64(19) . . ?
O1 C6 C3 117.21(19) . . ?
N2 C7 C8 120.0(2) . . ?
N2 C7 H7A 120.0 . . ?
C8 C7 H7A 120.0 . . ?
C7 C8 C9 119.0(2) . . ?
C7 C8 H8A 120.5 . . ?
C9 C8 H8A 120.5 . . ?
C10 C9 C8 119.5(2) . . ?
C10 C9 C12 120.0(2) . . ?
C8 C9 C12 120.5(2) . . ?
C11 C10 C9 119.2(2) . . ?
C11 C10 H10A 120.4 . . ?
C9 C10 H10A 120.4 . . ?
N2 C11 C10 119.8(2) . . ?
N2 C11 H11A 120.1 . . ?
C10 C11 H11A 120.1 . . ?
O3 C12 O4 126.8(2) . . ?
O3 C12 C9 115.45(19) . . ?
O4 C12 C9 117.70(19) . . ?
N3 C13 C14 119.8(2) . . ?
N3 C13 H13A 120.1 . . ?
C14 C13 H13A 120.1 . . ?
C13 C14 C15 118.7(2) . . ?
C13 C14 H14A 120.7 . . ?
C15 C14 H14A 120.7 . . ?
C14 C15 C16 119.9(2) . . ?
C14 C15 C18 120.2(2) . . ?
C16 C15 C18 119.8(2) . . ?
C17 C16 C15 118.9(2) . . ?
C17 C16 H16A 120.5 . . ?
C15 C16 H16A 120.5 . . ?
N3 C17 C16 119.8(2) . . ?
N3 C17 H17A 120.1 . . ?
C16 C17 H17A 120.1 . . ?
O6 C18 O5 126.5(2) . . ?
O6 C18 C15 115.35(19) . . ?
O5 C18 C15 118.10(19) . . ?
N4 C19 C20 119.7(2) . . ?
N4 C19 H19A 120.2 . . ?
C20 C19 H19A 120.2 . . ?
C19 C20 C21 119.2(2) . . ?
C19 C20 H20A 120.4 . . ?
C21 C20 H20A 120.4 . . ?
C20 C21 C22 119.5(2) . . ?
C20 C21 C24 120.5(2) . . ?
C22 C21 C24 120.0(2) . . ?
C23 C22 C21 118.9(2) . . ?
C23 C22 H22A 120.6 . . ?
C21 C22 H22A 120.6 . . ?
N4 C23 C22 120.1(2) . . ?
N4 C23 H23A 119.9 . . ?
C22 C23 H23A 119.9 . . ?
O8 C24 O7 126.3(2) . . ?
O8 C24 C21 117.16(19) . . ?
O7 C24 C21 116.5(2) . . ?
H2W1 O1W H2W2 97.7 . . ?
H1W1 O2W H1W2 111.7 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O5 Pr1 O1 C6 -21.5(5) . . . . ?
O3 Pr1 O1 C6 44.3(4) . . . . ?
O2 Pr1 O1 C6 -102.9(4) 2_756 . . . ?
O11 Pr1 O1 C6 -31.9(4) . . . . ?
O10 Pr1 O1 C6 -165.2(4) . . . . ?
O9 Pr1 O1 C6 120.7(4) . . . . ?
O12 Pr1 O1 C6 175.1(4) . . . . ?
O13 Pr1 O1 C6 95.5(4) . . . . ?
O1 Pr1 O3 C12 -87.2(2) . . . . ?
O5 Pr1 O3 C12 57.9(2) . . . . ?
O2 Pr1 O3 C12 11.6(3) 2_756 . . . ?
O11 Pr1 O3 C12 -13.6(2) . . . . ?
O10 Pr1 O3 C12 -136.9(2) . . . . ?
O9 Pr1 O3 C12 -163.3(2) . . . . ?
O12 Pr1 O3 C12 125.1(2) . . . . ?
O13 Pr1 O3 C12 127.2(2) . . . . ?
O8 Pr2 O4 C12 28.1(2) . . . . ?
O6 Pr2 O4 C12 97.8(2) . . . . ?
O7 Pr2 O4 C12 -56.18(19) 2_666 . . . ?
O15 Pr2 O4 C12 22.95(19) . . . . ?
O16 Pr2 O4 C12 157.11(18) . . . . ?
O17 Pr2 O4 C12 -94.4(2) . . . . ?
O19 Pr2 O4 C12 -138.9(2) . . . . ?
O18 Pr2 O4 C12 170.7(2) . . . . ?
O1 Pr1 O5 C18 -37.6(2) . . . . ?
O3 Pr1 O5 C18 -103.84(19) . . . . ?
O2 Pr1 O5 C18 52.56(18) 2_756 . . . ?
O11 Pr1 O5 C18 -27.09(18) . . . . ?
O10 Pr1 O5 C18 89.04(19) . . . . ?
O9 Pr1 O5 C18 -163.90(17) . . . . ?
O12 Pr1 O5 C18 131.94(19) . . . . ?
O13 Pr1 O5 C18 -176.5(2) . . . . ?
O8 Pr2 O6 C18 87.8(2) . . . . ?
O7 Pr2 O6 C18 -4.1(3) 2_666 . . . ?
O4 Pr2 O6 C18 -55.8(2) . . . . ?
O15 Pr2 O6 C18 14.7(2) . . . . ?
O16 Pr2 O6 C18 167.0(2) . . . . ?
O17 Pr2 O6 C18 136.9(2) . . . . ?
O19 Pr2 O6 C18 -126.7(2) . . . . ?
O18 Pr2 O6 C18 -123.6(2) . . . . ?
O6 Pr2 O8 C24 -52.7(3) . . . . ?
O7 Pr2 O8 C24 94.2(3) 2_666 . . . ?
O4 Pr2 O8 C24 17.0(3) . . . . ?
O15 Pr2 O8 C24 22.1(3) . . . . ?
O16 Pr2 O8 C24 -126.2(3) . . . . ?
O17 Pr2 O8 C24 159.3(3) . . . . ?
O19 Pr2 O8 C24 177.0(3) . . . . ?
O18 Pr2 O8 C24 -102.8(3) . . . . ?
O1 Pr1 O12 N5 -118.56(13) . . . . ?
O5 Pr1 O12 N5 72.04(12) . . . . ?
O3 Pr1 O12 N5 1.44(14) . . . . ?
O2 Pr1 O12 N5 150.93(13) 2_756 . . . ?
O11 Pr1 O12 N5 103.22(13) . . . . ?
O10 Pr1 O12 N5 -138.46(13) . . . . ?
O9 Pr1 O12 N5 -66.16(12) . . . . ?
O13 Pr1 O12 N5 -1.11(11) . . . . ?
O1 Pr1 O13 N5 128.50(12) . . . . ?
O5 Pr1 O13 N5 -88.19(12) . . . . ?
O3 Pr1 O13 N5 -176.53(13) . . . . ?
O2 Pr1 O13 N5 -30.55(14) 2_756 . . . ?
O11 Pr1 O13 N5 -125.66(12) . . . . ?
O10 Pr1 O13 N5 43.79(13) . . . . ?
O9 Pr1 O13 N5 101.90(13) . . . . ?
O12 Pr1 O13 N5 1.12(11) . . . . ?
O8 Pr2 O18 N6 -121.96(12) . . . . ?
O6 Pr2 O18 N6 -175.43(13) . . . . ?
O7 Pr2 O18 N6 38.20(13) 2_666 . . . ?
O4 Pr2 O18 N6 94.45(12) . . . . ?
O15 Pr2 O18 N6 132.58(11) . . . . ?
O16 Pr2 O18 N6 -96.75(12) . . . . ?
O17 Pr2 O18 N6 -39.22(13) . . . . ?
O19 Pr2 O18 N6 1.01(11) . . . . ?
O8 Pr2 O19 N6 121.70(12) . . . . ?
O6 Pr2 O19 N6 2.91(14) . . . . ?
O7 Pr2 O19 N6 -149.41(13) 2_666 . . . ?
O4 Pr2 O19 N6 -71.01(12) . . . . ?
O15 Pr2 O19 N6 -99.48(13) . . . . ?
O16 Pr2 O19 N6 65.47(12) . . . . ?
O17 Pr2 O19 N6 139.22(13) . . . . ?
O18 Pr2 O19 N6 -1.00(11) . . . . ?
Pr1 O13 N5 O14 178.28(19) . . . . ?
Pr1 O13 N5 O12 -1.90(19) . . . . ?
Pr1 O12 N5 O14 -178.23(18) . . . . ?
Pr1 O12 N5 O13 1.95(19) . . . . ?
Pr2 O18 N6 O20 177.89(19) . . . . ?
Pr2 O18 N6 O19 -1.68(18) . . . . ?
Pr2 O19 N6 O20 -177.80(18) . . . . ?
Pr2 O19 N6 O18 1.77(19) . . . . ?
C5 N1 C1 C2 -0.6(4) . . . . ?
N1 C1 C2 C3 -0.7(3) . . . . ?
C1 C2 C3 C4 1.7(3) . . . . ?
C1 C2 C3 C6 -177.8(2) . . . . ?
C2 C3 C4 C5 -1.5(3) . . . . ?
C6 C3 C4 C5 178.0(2) . . . . ?
C1 N1 C5 C4 0.8(4) . . . . ?
C3 C4 C5 N1 0.2(4) . . . . ?
Pr1 O2 C6 O1 -7.6(3) 2_756 . . . ?
Pr1 O2 C6 C3 173.27(13) 2_756 . . . ?
Pr1 O1 C6 O2 104.6(4) . . . . ?
Pr1 O1 C6 C3 -76.3(5) . . . . ?
C4 C3 C6 O2 -6.3(3) . . . . ?
C2 C3 C6 O2 173.1(2) . . . . ?
C4 C3 C6 O1 174.5(2) . . . . ?
C2 C3 C6 O1 -6.1(3) . . . . ?
C11 N2 C7 C8 -1.8(4) . . . . ?
N2 C7 C8 C9 1.7(4) . . . . ?
C7 C8 C9 C10 0.4(3) . . . . ?
C7 C8 C9 C12 -177.3(2) . . . . ?
C8 C9 C10 C11 -2.5(4) . . . . ?
C12 C9 C10 C11 175.2(2) . . . . ?
C7 N2 C11 C10 -0.4(4) . . . . ?
C9 C10 C11 N2 2.5(4) . . . . ?
Pr1 O3 C12 O4 -13.6(4) . . . . ?
Pr1 O3 C12 C9 164.46(15) . . . . ?
Pr2 O4 C12 O3 -93.6(3) . . . . ?
Pr2 O4 C12 C9 88.5(2) . . . . ?
C10 C9 C12 O3 -121.9(2) . . . . ?
C8 C9 C12 O3 55.8(3) . . . . ?
C10 C9 C12 O4 56.4(3) . . . . ?
C8 C9 C12 O4 -125.9(2) . . . . ?
C17 N3 C13 C14 1.5(4) . . . . ?
N3 C13 C14 C15 -3.8(4) . . . . ?
C13 C14 C15 C16 2.5(4) . . . . ?
C13 C14 C15 C18 -174.1(2) . . . . ?
C14 C15 C16 C17 1.1(4) . . . . ?
C18 C15 C16 C17 177.7(2) . . . . ?
C13 N3 C17 C16 2.3(4) . . . . ?
C15 C16 C17 N3 -3.5(4) . . . . ?
Pr2 O6 C18 O5 16.4(4) . . . . ?
Pr2 O6 C18 C15 -161.69(15) . . . . ?
Pr1 O5 C18 O6 93.6(3) . . . . ?
Pr1 O5 C18 C15 -88.4(2) . . . . ?
C14 C15 C18 O6 128.0(2) . . . . ?
C16 C15 C18 O6 -48.7(3) . . . . ?
C14 C15 C18 O5 -50.2(3) . . . . ?
C16 C15 C18 O5 133.1(2) . . . . ?
C23 N4 C19 C20 0.8(4) . . . . ?
N4 C19 C20 C21 -1.3(4) . . . . ?
C19 C20 C21 C22 0.9(3) . . . . ?
C19 C20 C21 C24 -178.7(2) . . . . ?
C20 C21 C22 C23 0.0(3) . . . . ?
C24 C21 C22 C23 179.7(2) . . . . ?
C19 N4 C23 C22 0.2(4) . . . . ?
C21 C22 C23 N4 -0.6(4) . . . . ?
Pr2 O8 C24 O7 -91.3(4) . . . . ?
Pr2 O8 C24 C21 89.8(3) . . . . ?
Pr2 O7 C24 O8 1.3(4) 2_666 . . . ?
Pr2 O7 C24 C21 -179.85(14) 2_666 . . . ?
C20 C21 C24 O8 -178.7(2) . . . . ?
C22 C21 C24 O8 1.6(3) . . . . ?
C20 C21 C24 O7 2.3(3) . . . . ?
C22 C21 C24 O7 -177.4(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.986
_refine_diff_density_max         0.927
_refine_diff_density_min         -0.937
_refine_diff_density_rms         0.076
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 1419818'
_audit_update_record             
;
2015-08-20 deposited with the CCDC.
2016-09-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            2
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C55 H45 Cu7 I7 N13 O22.50 Pr3'
_chemical_formula_weight         3003.85

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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.0627(10)
_cell_length_b                   16.6949(11)
_cell_length_c                   18.0047(12)
_cell_angle_alpha                115.2950(10)
_cell_angle_beta                 101.9850(10)
_cell_angle_gamma                90.8450(10)
_cell_volume                     3976.8(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            green-yellow
_exptl_crystal_size_max          0.175
_exptl_crystal_size_mid          0.153
_exptl_crystal_size_min          0.095
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.509
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2794
_exptl_absorpt_coefficient_mu    6.423
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.338
_exptl_absorpt_correction_T_max  0.543
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            56705
_diffrn_reflns_av_R_equivalents  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0188
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.29
_diffrn_reflns_theta_max         26.00
_reflns_number_total             15621
_reflns_number_gt                14090
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0157P)²+11.6262P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         15621
_refine_ls_number_parameters     976
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0240
_refine_ls_R_factor_gt           0.0197
_refine_ls_wR_factor_ref         0.0444
_refine_ls_wR_factor_gt          0.0430
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_restrained_S_all      1.011
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
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 . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
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_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
_geom_angle_publ_flag
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_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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
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) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.261
_refine_diff_density_min         -1.684
_refine_diff_density_rms         0.102
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_database_code_depnum_ccdc_archive 'CCDC 1419819'
_audit_update_record             
;
2015-08-20 deposited with the CCDC.
2016-09-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            3
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H39 Cu8 I8 N9 O16.50 Pr2'
_chemical_formula_weight         2739.16

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'
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'
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'
Pr Pr -0.2180 2.8214 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   15.289(6)
_cell_length_b                   8.168(3)
_cell_length_c                   28.995(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.646(5)
_cell_angle_gamma                90.00
_cell_volume                     3559(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.156
_exptl_crystal_size_mid          0.075
_exptl_crystal_size_min          0.045
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.556
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2520
_exptl_absorpt_coefficient_mu    7.211
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.528
_exptl_absorpt_correction_T_max  0.723
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            28133
_diffrn_reflns_av_R_equivalents  0.0362
_diffrn_reflns_av_sigmaI/netI    0.0330
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         1.41
_diffrn_reflns_theta_max         26.00
_reflns_number_total             6974
_reflns_number_gt                6185
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0396P)²+42.0415P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6974
_refine_ls_number_parameters     385
_refine_ls_number_restraints     53
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0367
_refine_ls_wR_factor_ref         0.0972
_refine_ls_wR_factor_gt          0.0931
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pr1 Pr 0.55017(3) 0.25071(5) 0.011807(13) 0.02008(10) Uani 1 1 d . . .
Cu1 Cu -0.00157(6) 0.56998(11) 0.17016(3) 0.0289(2) Uani 1 1 d . . .
Cu2 Cu 0.14509(6) 0.70179(11) 0.21415(3) 0.0250(2) Uani 1 1 d . . .
Cu3 Cu 0.42503(6) 0.92063(12) 0.25049(3) 0.0284(2) Uani 1 1 d . . .
Cu4 Cu 0.35247(6) 0.89653(11) 0.32433(3) 0.0254(2) Uani 1 1 d . . .
I1 I 0.12366(3) 0.67954(6) 0.122443(16) 0.02633(12) Uani 1 1 d . . .
I2 I 0.00516(3) 0.71975(6) 0.254322(18) 0.02901(12) Uani 1 1 d . . .
I3 I 0.24726(3) 0.96087(5) 0.240975(15) 0.02049(11) Uani 1 1 d . . .
I4 I 0.50912(3) 0.74941(6) 0.328526(17) 0.02486(12) Uani 1 1 d . . .
O1 O 0.3589(3) -0.0421(7) -0.05754(18) 0.0311(12) Uani 1 1 d . . .
O2 O 0.4211(4) 0.2068(7) -0.04940(19) 0.0335(13) Uani 1 1 d . . .
O3 O 0.5666(4) 0.3747(7) 0.09308(18) 0.0336(13) Uani 1 1 d . . .
O4 O 0.4646(3) 0.5059(6) 0.04332(16) 0.0262(11) Uani 1 1 d . . .
O5 O 0.6413(4) 0.1259(7) -0.0395(2) 0.0421(15) Uani 1 1 d . . .
O6 O 0.5522(4) -0.0877(9) -0.0453(2) 0.0441(16) Uani 1 1 d . . .
O7 O 0.6937(4) 0.3887(8) 0.0228(2) 0.0500(17) Uani 1 1 d . . .
N1 N 0.1155(4) 0.3283(8) -0.1359(2) 0.0305(14) Uani 1 1 d . . .
N2 N 0.4489(4) 0.7716(8) 0.1982(2) 0.0251(13) Uani 1 1 d . . .
N3 N 0.7781(4) -0.2592(7) -0.1397(2) 0.0211(12) Uani 1 1 d . . .
C1 C 0.1205(6) 0.1699(11) -0.1256(4) 0.054(3) Uani 1 1 d . . .
H1A H 0.0687 0.1048 -0.1348 0.065 Uiso 1 1 calc R . .
C2 C 0.1968(5) 0.0943(11) -0.1024(4) 0.047(2) Uani 1 1 d . . .
H2A H 0.1963 -0.0192 -0.0952 0.057 Uiso 1 1 calc R . .
C3 C 0.2734(5) 0.1840(9) -0.0897(2) 0.0236(15) Uani 1 1 d . . .
C4 C 0.2695(5) 0.3481(10) -0.1017(3) 0.0354(19) Uani 1 1 d . . .
H4A H 0.3211 0.4148 -0.0943 0.042 Uiso 1 1 calc R . .
C5 C 0.1901(5) 0.4143(10) -0.1246(3) 0.037(2) Uani 1 1 d . . .
H5A H 0.1888 0.5271 -0.1327 0.045 Uiso 1 1 calc R . .
C6 C 0.3577(5) 0.1092(10) -0.0638(2) 0.0263(16) Uani 1 1 d . . .
C7 C 0.5275(6) 0.6983(12) 0.2007(3) 0.041(2) Uani 1 1 d . . .
H7A H 0.5714 0.7128 0.2281 0.049 Uiso 1 1 calc R . .
C8 C 0.5478(6) 0.6018(13) 0.1646(3) 0.043(2) Uani 1 1 d . . .
H8A H 0.6042 0.5499 0.1678 0.051 Uiso 1 1 calc R . .
C9 C 0.4850(5) 0.5821(9) 0.1243(2) 0.0240(15) Uani 1 1 d . . .
C10 C 0.4046(5) 0.6541(9) 0.1223(2) 0.0240(15) Uani 1 1 d . . .
H10A H 0.3595 0.6403 0.0953 0.029 Uiso 1 1 calc R . .
C11 C 0.3878(5) 0.7482(9) 0.1597(2) 0.0250(15) Uani 1 1 d . . .
H11A H 0.3308 0.7973 0.1576 0.030 Uiso 1 1 calc R . .
C12 C 0.5073(5) 0.4804(9) 0.0846(2) 0.0229(15) Uani 1 1 d . . .
C13 C 0.8124(5) -0.1420(10) -0.1092(3) 0.0347(19) Uani 1 1 d . . .
H13A H 0.8736 -0.1152 -0.1065 0.042 Uiso 1 1 calc R . .
C14 C 0.7628(6) -0.0591(10) -0.0817(3) 0.0344(19) Uani 1 1 d . . .
H14A H 0.7893 0.0236 -0.0607 0.041 Uiso 1 1 calc R . .
C15 C 0.6742(5) -0.0975(9) -0.0852(2) 0.0220(15) Uani 1 1 d . . .
C16 C 0.6368(5) -0.2120(10) -0.1179(2) 0.0255(15) Uani 1 1 d . . .
H16A H 0.5751 -0.2368 -0.1224 0.031 Uiso 1 1 calc R . .
C17 C 0.6915(5) -0.2897(9) -0.1441(3) 0.0252(15) Uani 1 1 d . . .
H17A H 0.6658 -0.3692 -0.1665 0.030 Uiso 1 1 calc R . .
C18 C 0.6187(5) -0.0138(10) -0.0543(2) 0.0300(18) Uani 1 1 d . . .
N4 N 0.8462(11) 0.409(2) 0.0141(6) 0.137(6) Uani 1 1 d DU . .
C19 C 0.7668(13) 0.333(3) 0.0229(8) 0.148(8) Uani 1 1 d DU . .
H19A H 0.7725 0.2200 0.0300 0.177 Uiso 1 1 calc R . .
C20 C 0.8101(17) 0.559(3) -0.0039(8) 0.162(9) Uani 1 1 d DU . .
H20A H 0.8577 0.6289 -0.0114 0.243 Uiso 1 1 calc R . .
H20B H 0.7817 0.6136 0.0196 0.243 Uiso 1 1 calc R . .
H20C H 0.7658 0.5396 -0.0324 0.243 Uiso 1 1 calc R . .
O8 O 0.6928(15) 0.160(3) 0.1790(8) 0.229(6) Uani 1 1 d DU . .
C21 C 0.726(2) 0.090(4) 0.2172(10) 0.229(6) Uani 1 1 d DU . .
N5 N 0.738(2) 0.245(4) 0.2409(11) 0.229(6) Uani 1 1 d DU . .
C22 C 0.742(2) 0.409(4) 0.2214(12) 0.229(6) Uani 1 1 d DU . .
O1W O 1.0000 0.0000 0.0000 0.251(14) Uani 1 2 d SU . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pr1 O6 2.393(6) 3_655 ?
Pr1 O2 2.425(5) . ?
Pr1 O1 2.431(5) 3_655 ?
Pr1 O7 2.435(7) . ?
Pr1 O5 2.442(5) . ?
Pr1 O3 2.534(5) . ?
Pr1 O4 2.535(5) 3_665 ?
Pr1 O4 2.707(5) . ?
Pr1 C12 2.987(7) . ?
Cu1 N1 2.017(6) 3_565 ?
Cu1 Cu2 2.5993(14) . ?
Cu1 I4 2.6216(14) 2_545 ?
Cu1 Cu4 2.6635(15) 2_545 ?
Cu1 Cu3 2.6751(15) 2_545 ?
Cu1 I1 2.7129(13) . ?
Cu1 I2 2.7146(14) . ?
Cu2 I2 2.6222(13) . ?
Cu2 I1 2.6246(14) . ?
Cu2 I3 2.6599(12) . ?
Cu2 Cu4 2.7347(15) 2_545 ?
Cu2 I3 2.7355(12) 2_545 ?
Cu2 Cu3 2.8074(15) 2_545 ?
Cu3 N2 2.029(6) . ?
Cu3 Cu4 2.5944(14) . ?
Cu3 Cu1 2.6751(15) 2 ?
Cu3 I2 2.6801(14) 2 ?
Cu3 I3 2.7008(14) . ?
Cu3 I4 2.7666(13) . ?
Cu3 Cu2 2.8074(15) 2 ?
Cu4 N3 2.019(6) 4_566 ?
Cu4 I4 2.6622(13) . ?
Cu4 Cu1 2.6635(15) 2 ?
Cu4 I3 2.6960(12) . ?
Cu4 Cu2 2.7347(15) 2 ?
Cu4 I1 2.7660(13) 2 ?
I1 Cu4 2.7660(13) 2_545 ?
I2 Cu3 2.6801(14) 2_545 ?
I3 Cu2 2.7355(12) 2 ?
I4 Cu1 2.6216(14) 2 ?
O1 C6 1.248(10) . ?
O1 Pr1 2.431(5) 3_655 ?
O2 C6 1.264(9) . ?
O3 C12 1.243(9) . ?
O4 C12 1.271(8) . ?
O4 Pr1 2.535(5) 3_665 ?
O5 C18 1.245(11) . ?
O6 C18 1.252(10) . ?
O6 Pr1 2.393(6) 3_655 ?
O7 C19 1.20(2) . ?
N1 C1 1.327(11) . ?
N1 C5 1.328(10) . ?
N1 Cu1 2.017(6) 3_565 ?
N2 C11 1.331(9) . ?
N2 C7 1.333(10) . ?
N3 C17 1.329(9) . ?
N3 C13 1.343(10) . ?
N3 Cu4 2.019(5) 4_665 ?
C1 C2 1.380(12) . ?
C2 C3 1.373(11) . ?
C3 C4 1.383(11) . ?
C3 C6 1.498(10) . ?
C4 C5 1.382(11) . ?
C7 C8 1.388(11) . ?
C8 C9 1.379(11) . ?
C9 C10 1.355(10) . ?
C9 C12 1.507(9) . ?
C10 C11 1.391(10) . ?
C13 C14 1.375(10) . ?
C14 C15 1.375(11) . ?
C15 C16 1.379(11) . ?
C15 C18 1.507(9) . ?
C16 C17 1.384(10) . ?
N4 C20 1.405(10) . ?
N4 C19 1.426(10) . ?
O8 C21 1.265(10) . ?
C21 N5 1.431(19) . ?
N5 C22 1.461(18) . ?

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
_geom_angle_publ_flag
O6 Pr1 O2 73.2(2) 3_655 . ?
O6 Pr1 O1 74.9(2) 3_655 3_655 ?
O2 Pr1 O1 126.98(19) . 3_655 ?
O6 Pr1 O7 147.7(2) 3_655 . ?
O2 Pr1 O7 139.1(2) . . ?
O1 Pr1 O7 80.9(2) 3_655 . ?
O6 Pr1 O5 120.3(2) 3_655 . ?
O2 Pr1 O5 88.4(2) . . ?
O1 Pr1 O5 72.95(19) 3_655 . ?
O7 Pr1 O5 70.8(2) . . ?
O6 Pr1 O3 78.7(2) 3_655 . ?
O2 Pr1 O3 131.84(18) . . ?
O1 Pr1 O3 79.89(18) 3_655 . ?
O7 Pr1 O3 76.2(2) . . ?
O5 Pr1 O3 139.8(2) . . ?
O6 Pr1 O4 134.71(19) 3_655 3_665 ?
O2 Pr1 O4 71.85(18) . 3_665 ?
O1 Pr1 O4 150.35(17) 3_655 3_665 ?
O7 Pr1 O4 72.1(2) . 3_665 ?
O5 Pr1 O4 86.43(18) . 3_665 ?
O3 Pr1 O4 104.76(17) . 3_665 ?
O6 Pr1 O4 84.2(2) 3_655 . ?
O2 Pr1 O4 88.98(17) . . ?
O1 Pr1 O4 128.20(16) 3_655 . ?
O7 Pr1 O4 94.5(2) . . ?
O5 Pr1 O4 153.21(18) . . ?
O3 Pr1 O4 49.43(15) . . ?
O4 Pr1 O4 67.45(17) 3_665 . ?
O6 Pr1 C12 79.4(2) 3_655 . ?
O2 Pr1 C12 110.80(19) . . ?
O1 Pr1 C12 103.45(19) 3_655 . ?
O7 Pr1 C12 85.8(2) . . ?
O5 Pr1 C12 156.6(2) . . ?
O3 Pr1 C12 24.29(18) . . ?
O4 Pr1 C12 86.99(18) 3_665 . ?
O4 Pr1 C12 25.18(17) . . ?
N1 Cu1 Cu2 131.22(19) 3_565 . ?
N1 Cu1 I4 112.46(19) 3_565 2_545 ?
Cu2 Cu1 I4 116.29(4) . 2_545 ?
N1 Cu1 Cu4 154.1(2) 3_565 2_545 ?
Cu2 Cu1 Cu4 62.60(4) . 2_545 ?
I4 Cu1 Cu4 60.49(3) 2_545 2_545 ?
N1 Cu1 Cu3 144.3(2) 3_565 2_545 ?
Cu2 Cu1 Cu3 64.30(4) . 2_545 ?
I4 Cu1 Cu3 62.97(3) 2_545 2_545 ?
Cu4 Cu1 Cu3 58.15(3) 2_545 2_545 ?
N1 Cu1 I1 103.9(2) 3_565 . ?
Cu2 Cu1 I1 59.17(4) . . ?
I4 Cu1 I1 111.96(4) 2_545 . ?
Cu4 Cu1 I1 61.92(4) 2_545 . ?
Cu3 Cu1 I1 110.57(4) 2_545 . ?
N1 Cu1 I2 98.2(2) 3_565 . ?
Cu2 Cu1 I2 59.09(3) . . ?
I4 Cu1 I2 115.57(4) 2_545 . ?
Cu4 Cu1 I2 107.21(4) 2_545 . ?
Cu3 Cu1 I2 59.63(4) 2_545 . ?
I1 Cu1 I2 113.37(4) . . ?
Cu1 Cu2 I2 62.65(4) . . ?
Cu1 Cu2 I1 62.57(3) . . ?
I2 Cu2 I1 119.64(4) . . ?
Cu1 Cu2 I3 151.62(5) . . ?
I2 Cu2 I3 107.99(4) . . ?
I1 Cu2 I3 107.94(3) . . ?
Cu1 Cu2 Cu4 59.85(4) . 2_545 ?
I2 Cu2 Cu4 107.82(4) . 2_545 ?
I1 Cu2 Cu4 62.10(3) . 2_545 ?
I3 Cu2 Cu4 142.49(4) . 2_545 ?
Cu1 Cu2 I3 108.91(4) . 2_545 ?
I2 Cu2 I3 107.31(4) . 2_545 ?
I1 Cu2 I3 112.56(4) . 2_545 ?
I3 Cu2 I3 99.44(4) . 2_545 ?
Cu4 Cu2 I3 59.06(4) 2_545 2_545 ?
Cu1 Cu2 Cu3 59.16(4) . 2_545 ?
I2 Cu2 Cu3 59.04(3) . 2_545 ?
I1 Cu2 Cu3 109.19(4) . 2_545 ?
I3 Cu2 Cu3 141.94(4) . 2_545 ?
Cu4 Cu2 Cu3 55.81(4) 2_545 2_545 ?
I3 Cu2 Cu3 58.30(4) 2_545 2_545 ?
N2 Cu3 Cu4 137.24(18) . . ?
N2 Cu3 Cu1 143.69(19) . 2 ?
Cu4 Cu3 Cu1 60.70(4) . 2 ?
N2 Cu3 I2 112.33(18) . 2 ?
Cu4 Cu3 I2 110.31(4) . 2 ?
Cu1 Cu3 I2 60.91(3) 2 2 ?
N2 Cu3 I3 108.24(18) . . ?
Cu4 Cu3 I3 61.17(3) . . ?
Cu1 Cu3 I3 107.72(4) 2 . ?
I2 Cu3 I3 106.66(4) 2 . ?
N2 Cu3 I4 100.80(19) . . ?
Cu4 Cu3 I4 59.44(4) . . ?
Cu1 Cu3 I4 57.57(4) 2 . ?
I2 Cu3 I4 111.96(4) 2 . ?
I3 Cu3 I4 116.86(4) . . ?
N2 Cu3 Cu2 153.78(19) . 2 ?
Cu4 Cu3 Cu2 60.68(4) . 2 ?
Cu1 Cu3 Cu2 56.54(4) 2 2 ?
I2 Cu3 Cu2 57.03(4) 2 2 ?
I3 Cu3 Cu2 59.52(3) . 2 ?
I4 Cu3 Cu2 105.42(4) . 2 ?
N3 Cu4 Cu3 146.69(17) 4_566 . ?
N3 Cu4 I4 108.27(17) 4_566 . ?
Cu3 Cu4 I4 63.50(3) . . ?
N3 Cu4 Cu1 145.30(18) 4_566 2 ?
Cu3 Cu4 Cu1 61.15(4) . 2 ?
I4 Cu4 Cu1 58.98(4) . 2 ?
N3 Cu4 I3 105.74(18) 4_566 . ?
Cu3 Cu4 I3 61.36(4) . . ?
I4 Cu4 I3 120.78(4) . . ?
Cu1 Cu4 I3 108.20(4) 2 . ?
N3 Cu4 Cu2 140.22(17) 4_566 2 ?
Cu3 Cu4 Cu2 63.51(4) . 2 ?
I4 Cu4 Cu2 110.50(4) . 2 ?
Cu1 Cu4 Cu2 57.55(3) 2 2 ?
I3 Cu4 Cu2 60.49(3) . 2 ?
N3 Cu4 I1 101.84(17) 4_566 2 ?
Cu3 Cu4 I1 111.38(4) . 2 ?
I4 Cu4 I1 109.08(4) . 2 ?
Cu1 Cu4 I1 59.92(3) 2 2 ?
I3 Cu4 I1 109.43(4) . 2 ?
Cu2 Cu4 I1 56.99(4) 2 2 ?
Cu2 I1 Cu1 58.26(3) . . ?
Cu2 I1 Cu4 60.90(3) . 2_545 ?
Cu1 I1 Cu4 58.16(3) . 2_545 ?
Cu2 I2 Cu3 63.93(3) . 2_545 ?
Cu2 I2 Cu1 58.27(3) . . ?
Cu3 I2 Cu1 59.45(3) 2_545 . ?
Cu2 I3 Cu4 109.14(3) . . ?
Cu2 I3 Cu3 117.29(4) . . ?
Cu4 I3 Cu3 57.47(3) . . ?
Cu2 I3 Cu2 168.72(2) . 2 ?
Cu4 I3 Cu2 60.46(3) . 2 ?
Cu3 I3 Cu2 62.18(3) . 2 ?
Cu1 I4 Cu4 60.54(3) 2 . ?
Cu1 I4 Cu3 59.46(3) 2 . ?
Cu4 I4 Cu3 57.06(3) . . ?
C6 O1 Pr1 139.8(5) . 3_655 ?
C6 O2 Pr1 143.6(5) . . ?
C12 O3 Pr1 98.7(4) . . ?
C12 O4 Pr1 133.9(5) . 3_665 ?
C12 O4 Pr1 89.8(4) . . ?
Pr1 O4 Pr1 112.55(17) 3_665 . ?
C18 O5 Pr1 116.1(5) . . ?
C18 O6 Pr1 166.1(5) . 3_655 ?
C19 O7 Pr1 129.8(12) . . ?
C1 N1 C5 116.6(7) . . ?
C1 N1 Cu1 121.4(6) . 3_565 ?
C5 N1 Cu1 121.9(5) . 3_565 ?
C11 N2 C7 117.8(6) . . ?
C11 N2 Cu3 121.2(5) . . ?
C7 N2 Cu3 120.9(5) . . ?
C17 N3 C13 117.2(6) . . ?
C17 N3 Cu4 119.5(5) . 4_665 ?
C13 N3 Cu4 123.2(5) . 4_665 ?
N1 C1 C2 123.7(8) . . ?
C3 C2 C1 119.6(8) . . ?
C2 C3 C4 117.1(7) . . ?
C2 C3 C6 122.0(7) . . ?
C4 C3 C6 121.0(7) . . ?
C5 C4 C3 119.5(7) . . ?
N1 C5 C4 123.4(8) . . ?
O1 C6 O2 126.0(7) . . ?
O1 C6 C3 117.7(7) . . ?
O2 C6 C3 116.3(7) . . ?
N2 C7 C8 122.6(8) . . ?
C9 C8 C7 119.2(8) . . ?
C10 C9 C8 117.9(7) . . ?
C10 C9 C12 122.6(6) . . ?
C8 C9 C12 119.5(7) . . ?
C9 C10 C11 120.3(7) . . ?
N2 C11 C10 122.1(7) . . ?
O3 C12 O4 121.8(6) . . ?
O3 C12 C9 119.5(6) . . ?
O4 C12 C9 118.7(6) . . ?
O3 C12 Pr1 57.0(3) . . ?
O4 C12 Pr1 65.0(4) . . ?
C9 C12 Pr1 174.5(5) . . ?
N3 C13 C14 122.9(7) . . ?
C13 C14 C15 119.1(7) . . ?
C14 C15 C16 118.9(6) . . ?
C14 C15 C18 120.5(7) . . ?
C16 C15 C18 120.6(7) . . ?
C15 C16 C17 118.1(7) . . ?
N3 C17 C16 123.7(7) . . ?
O5 C18 O6 123.7(7) . . ?
O5 C18 C15 118.0(7) . . ?
O6 C18 C15 118.3(8) . . ?
C20 N4 C19 99.0(19) . . ?
O7 C19 N4 131(2) . . ?
O8 C21 N5 91(2) . . ?
C21 N5 C22 129(3) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         2.359
_refine_diff_density_min         -1.253
_refine_diff_density_rms         0.212
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_database_code_depnum_ccdc_archive 'CCDC 1419820'
_audit_update_record             
;
2015-10-09 deposited with the CCDC.
2016-09-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            4-Pr
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C69 H70 Cu12 I12 N14 O23 Pr3'
_chemical_formula_weight         4171.40

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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

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'

_cell_length_a                   15.0950(4)
_cell_length_b                   25.0532(8)
_cell_length_c                   29.7588(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.9360(10)
_cell_angle_gamma                90.00
_cell_volume                     10707.2(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            green-yellow
_exptl_crystal_size_max          0.195
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.065
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7708
_exptl_absorpt_coefficient_mu    7.191
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.426
_exptl_absorpt_correction_T_max  0.627
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            123359
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0229
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         1.42
_diffrn_reflns_theta_max         26.64
_reflns_number_total             22363
_reflns_number_gt                20367
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0217P)²+135.9691P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         22363
_refine_ls_number_parameters     1150
_refine_ls_number_restraints     79
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0318
_refine_ls_wR_factor_ref         0.0752
_refine_ls_wR_factor_gt          0.0731
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
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 . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
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_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
_geom_angle_publ_flag
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_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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
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) . . . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        26.64
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         4.848
_refine_diff_density_min         -2.689
_refine_diff_density_rms         0.211
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_audit_block_doi                 10.5517/ccdc.csd.cc1jnfp9
_database_code_depnum_ccdc_archive 'CCDC 1419821'
_audit_update_record             
;
2016-09-01 deposited with the CCDC.
2016-09-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            2-Pr
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H40 Cu8 I8 N8 Na2 O25 Pr2'
_chemical_formula_weight         2980.20

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'
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'
Na Na 0.0362 0.0249 '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'
Pr Pr -0.2180 2.8214 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   C222(1)

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   17.8961(19)
_cell_length_b                   31.932(3)
_cell_length_c                   25.078(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     14331(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9666
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      24.76

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.042
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.381
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    3.597
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.628
_exptl_absorpt_correction_T_max  0.860
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            41369
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_sigmaI/netI    0.0328
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.28
_diffrn_reflns_theta_max         24.76
_reflns_number_total             11762
_reflns_number_gt                9807
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0730P)²+836.3642P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   ?
_refine_ls_number_reflns         11762
_refine_ls_number_parameters     440
_refine_ls_number_restraints     60
_refine_ls_R_factor_all          0.1060
_refine_ls_R_factor_gt           0.0862
_refine_ls_wR_factor_ref         0.2290
_refine_ls_wR_factor_gt          0.2128
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pr1 Pr 0.31542(6) 0.89231(3) 0.04219(6) 0.0554(3) Uani 1 1 d . . .
Cu4 Cu 0.82951(15) 1.11097(7) 0.11373(13) 0.0621(8) Uani 1 1 d . . .
Cu3 Cu 0.81403(17) 1.05872(9) 0.19474(11) 0.0612(7) Uani 1 1 d . . .
Cu2 Cu 0.87351(13) 1.03256(8) 0.10675(14) 0.0608(7) Uani 1 1 d . . .
Cu1 Cu 0.73259(13) 1.05158(9) 0.10636(14) 0.0621(8) Uani 1 1 d . . .
I2 I 0.81692(8) 1.06941(4) 0.02141(6) 0.0582(4) Uani 1 1 d . . .
I4 I 0.94519(7) 1.09365(4) 0.17325(7) 0.0550(4) Uani 1 1 d . . .
I3 I 0.69434(8) 1.11157(5) 0.17179(7) 0.0672(4) Uani 1 1 d . . .
I1 I 0.78992(7) 0.98112(4) 0.16465(7) 0.0615(4) Uani 1 1 d . . .
O1 O 0.1758(9) 0.8960(4) 0.0732(8) 0.074(5) Uani 1 1 d . . .
O1W O 0.438(4) 0.871(2) 0.872(3) 0.17(3) Uani 0.50 1 d PU . .
O1W' O 0.362(4) 0.839(2) 0.885(3) 0.19(3) Uani 0.50 1 d PU . .
O2 O 0.2256(7) 0.9546(3) 0.0453(7) 0.057(4) Uani 1 1 d . . .
O2W O 0.511(4) 0.848(2) 0.118(3) 0.17(2) Uani 0.50 1 d PU . .
O3 O 0.3213(7) 0.9352(4) -0.0456(6) 0.050(3) Uani 1 1 d . . .
O3W O 0.184(7) 0.784(3) 0.922(4) 0.28(5) Uani 0.50 1 d PU . .
O4 O 0.2321(8) 0.8869(5) -0.0392(7) 0.070(4) Uani 1 1 d . . .
O5 O 0.3835(7) 0.9624(4) 0.0553(7) 0.052(4) Uani 1 1 d . . .
O6 O 0.4542(8) 0.9077(5) 0.0487(8) 0.076(5) Uani 1 1 d . . .
O6W O 0.0000 0.973(3) 0.2500 0.37(5) Uani 1 2 d SU . .
O7 O 0.2637(9) 0.8195(5) 0.0452(10) 0.098(7) Uani 1 1 d . . .
O8 O 0.3690(12) 0.8288(5) 0.0892(11) 0.113(9) Uani 1 1 d . . .
O9 O 0.3823(12) 0.8496(6) -0.0280(12) 0.125(9) Uani 1 1 d . . .
H9A H 0.3843 0.8242 -0.0181 0.150 Uiso 1 1 d R . .
H9B H 0.3586 0.8512 -0.0573 0.150 Uiso 1 1 d R . .
O10 O 0.3129(14) 0.9068(7) 0.1394(9) 0.120(8) Uani 1 1 d . . .
H10A H 0.3147 0.8838 0.1564 0.145 Uiso 1 1 d R . .
H10C H 0.3505 0.9218 0.1475 0.145 Uiso 1 1 d R . .
N1 N -0.0345(5) 1.0001(3) 0.0866(6) 0.054(5) Uani 1 1 d G . .
C1 C -0.0308(6) 0.9571(3) 0.0943(7) 0.069(7) Uani 1 1 d G . .
H1B H -0.0742 0.9420 0.1048 0.082 Uiso 1 1 calc R . .
C2 C 0.0364(7) 0.9360(3) 0.0869(8) 0.078(8) Uani 1 1 d G . .
H2A H 0.0389 0.9066 0.0922 0.094 Uiso 1 1 calc R . .
C3 C 0.0999(6) 0.9581(4) 0.0716(7) 0.057(6) Uani 1 1 d G . .
C4 C 0.0962(5) 1.0011(4) 0.0638(7) 0.066(7) Uani 1 1 d G . .
H4A H 0.1395 1.0162 0.0534 0.080 Uiso 1 1 calc R . .
C5 C 0.0289(6) 1.0221(3) 0.0713(7) 0.074(8) Uani 1 1 d G . .
H5A H 0.0264 1.0516 0.0660 0.088 Uiso 1 1 calc R . .
C6 C 0.1733(10) 0.9328(7) 0.0629(9) 0.058(6) Uani 1 1 d . . .
N2 N 0.1973(7) 0.9402(4) -0.2252(4) 0.056(4) Uani 1 1 d G . .
C7 C 0.2503(7) 0.9659(4) -0.2013(6) 0.065(7) Uani 1 1 d G . .
H7A H 0.2720 0.9883 -0.2209 0.078 Uiso 1 1 calc R . .
C8 C 0.2717(7) 0.9588(4) -0.1488(5) 0.063(6) Uani 1 1 d G . .
H8A H 0.3080 0.9763 -0.1325 0.076 Uiso 1 1 calc R . .
C9 C 0.2400(8) 0.9260(5) -0.1202(4) 0.059(6) Uani 1 1 d G . .
C10 C 0.1869(8) 0.9004(4) -0.1440(5) 0.059(5) Uani 1 1 d G . .
H10B H 0.1652 0.8780 -0.1245 0.071 Uiso 1 1 calc R . .
C11 C 0.1655(7) 0.9075(4) -0.1966(5) 0.071(7) Uani 1 1 d G . .
H11A H 0.1293 0.8899 -0.2129 0.085 Uiso 1 1 calc R . .
C12 C 0.2624(12) 0.9157(6) -0.0645(11) 0.067(7) Uani 1 1 d . . .
N3 N 0.6395(5) 1.0216(3) 0.0821(6) 0.063(5) Uani 1 1 d G . .
C13 C 0.5687(6) 1.0381(3) 0.0905(6) 0.045(5) Uani 1 1 d G . .
H13A H 0.5633 1.0661 0.1029 0.054 Uiso 1 1 calc R . .
C14 C 0.5057(4) 1.0138(3) 0.0808(6) 0.047(5) Uani 1 1 d G . .
H14A H 0.4573 1.0251 0.0866 0.056 Uiso 1 1 calc R . .
C15 C 0.5136(5) 0.9729(3) 0.0627(6) 0.045(5) Uani 1 1 d G . .
C16 C 0.5845(6) 0.9563(3) 0.0543(6) 0.064(6) Uani 1 1 d G . .
H16A H 0.5899 0.9284 0.0419 0.077 Uiso 1 1 calc R . .
C17 C 0.6474(5) 0.9807(4) 0.0640(6) 0.056(6) Uani 1 1 d G . .
H17A H 0.6959 0.9694 0.0582 0.067 Uiso 1 1 calc R . .
C18 C 0.4458(11) 0.9444(6) 0.0588(8) 0.043(4) Uani 1 1 d . . .
N4 N 0.3353(8) 0.6722(3) 0.0939(7) 0.066(6) Uani 1 1 d G . .
C19 C 0.2802(7) 0.6882(3) 0.0605(6) 0.062(6) Uani 1 1 d GU . .
H19A H 0.2468 0.6697 0.0429 0.074 Uiso 1 1 calc R . .
C20 C 0.2742(8) 0.7312(4) 0.0529(6) 0.080(7) Uani 1 1 d GU . .
H20A H 0.2365 0.7421 0.0301 0.096 Uiso 1 1 calc R . .
C21 C 0.3231(9) 0.7582(3) 0.0788(7) 0.052(5) Uani 1 1 d GU . .
C22 C 0.3782(10) 0.7422(4) 0.1122(8) 0.130(16) Uani 1 1 d G . .
H22A H 0.4117 0.7607 0.1298 0.156 Uiso 1 1 calc R . .
C23 C 0.3843(9) 0.6992(4) 0.1197(8) 0.111(14) Uani 1 1 d G . .
H23A H 0.4219 0.6883 0.1425 0.133 Uiso 1 1 calc R . .
C24 C 0.3157(14) 0.8050(8) 0.0707(12) 0.075(7) Uani 1 1 d . . .
Na1 Na 0.3070(5) 1.0000 0.0000 0.047(3) Uani 1 2 d S . .
Na2 Na 0.030(5) 0.826(3) 0.020(4) 0.06(2) Uani 0.10 1 d PU . .
Na2' Na 0.057(4) 0.845(2) -0.026(3) 0.22(3) Uani 0.40 1 d PU . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pr1 O10 2.48(2) . ?
Pr1 O7 2.503(16) . ?
Pr1 O9 2.53(2) . ?
Pr1 O4 2.532(15) . ?
Pr1 O8 2.534(17) . ?
Pr1 O6 2.537(15) . ?
Pr1 O2 2.558(11) . ?
Pr1 O5 2.569(12) . ?
Pr1 O3 2.594(13) . ?
Pr1 O1 2.620(15) . ?
Pr1 C24 2.88(2) . ?
Pr1 C18 2.895(19) . ?
Cu4 N4 2.020(9) 5 ?
Cu4 Cu1 2.577(3) . ?
Cu4 I4 2.611(3) . ?
Cu4 Cu2 2.631(3) . ?
Cu4 Cu3 2.643(4) . ?
Cu4 I2 2.678(3) . ?
Cu4 I3 2.823(3) . ?
Cu3 N2 2.018(11) 2_675 ?
Cu3 Cu2 2.588(4) . ?
Cu3 I1 2.626(3) . ?
Cu3 I4 2.654(3) . ?
Cu3 Cu1 2.662(4) . ?
Cu3 I3 2.787(3) . ?
Cu2 N1 2.009(9) 1_655 ?
Cu2 Cu1 2.594(3) . ?
Cu2 I2 2.644(4) . ?
Cu2 I1 2.654(3) . ?
Cu2 I4 2.869(3) . ?
Cu1 N3 2.015(8) . ?
Cu1 I3 2.613(3) . ?
Cu1 I2 2.672(4) . ?
Cu1 I1 2.872(3) . ?
O1 C6 1.20(3) . ?
O1W O1W' 1.73(10) . ?
O2 C6 1.25(2) . ?
O2 Na1 2.349(14) . ?
O3 C12 1.31(2) . ?
O3 Na1 2.377(13) . ?
O4 C12 1.24(2) . ?
O5 C18 1.26(2) . ?
O5 Na1 2.290(14) . ?
O6 C18 1.21(2) . ?
O7 C24 1.22(3) . ?
O8 C24 1.30(3) . ?
N1 C1 1.3900 . ?
N1 C5 1.3900 . ?
N1 Cu2 2.009(9) 1_455 ?
C1 C2 1.3900 . ?
C2 C3 1.3900 . ?
C3 C4 1.3900 . ?
C3 C6 1.56(2) . ?
C4 C5 1.3900 . ?
N2 C7 1.3900 . ?
N2 C11 1.3900 . ?
N2 Cu3 2.018(11) 2_674 ?
C7 C8 1.3900 . ?
C8 C9 1.3900 . ?
C9 C10 1.3900 . ?
C9 C12 1.49(3) . ?
C10 C11 1.3900 . ?
N3 C13 1.3900 . ?
N3 C17 1.3900 . ?
C13 C14 1.3900 . ?
C14 C15 1.3900 . ?
C15 C16 1.3900 . ?
C15 C18 1.52(2) . ?
C16 C17 1.3900 . ?
N4 C19 1.3900 . ?
N4 C23 1.3900 . ?
N4 Cu4 2.020(9) 5_445 ?
C19 C20 1.3900 . ?
C20 C21 1.3900 . ?
C21 C22 1.3900 . ?
C21 C24 1.52(3) . ?
C22 C23 1.3900 . ?
Na1 O5 2.290(14) 4_575 ?
Na1 O2 2.349(14) 4_575 ?
Na1 O3 2.377(13) 4_575 ?
Na1 Pr1 3.6011(11) 4_575 ?
Na2 Na2' 1.37(10) . ?

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
_geom_angle_publ_flag
O10 Pr1 O7 97.9(8) . . ?
O10 Pr1 O9 142.5(9) . . ?
O7 Pr1 O9 72.2(8) . . ?
O10 Pr1 O4 142.5(7) . . ?
O7 Pr1 O4 75.2(6) . . ?
O9 Pr1 O4 71.4(8) . . ?
O10 Pr1 O8 72.5(8) . . ?
O7 Pr1 O8 51.9(6) . . ?
O9 Pr1 O8 73.3(9) . . ?
O4 Pr1 O8 122.9(6) . . ?
O10 Pr1 O6 85.3(7) . . ?
O7 Pr1 O6 122.7(5) . . ?
O9 Pr1 O6 71.7(7) . . ?
O4 Pr1 O6 129.9(6) . . ?
O8 Pr1 O6 75.8(6) . . ?
O10 Pr1 O2 79.2(7) . . ?
O7 Pr1 O2 119.3(5) . . ?
O9 Pr1 O2 137.6(8) . . ?
O4 Pr1 O2 73.0(6) . . ?
O8 Pr1 O2 147.7(7) . . ?
O6 Pr1 O2 117.5(4) . . ?
O10 Pr1 O5 73.7(6) . . ?
O7 Pr1 O5 168.6(6) . . ?
O9 Pr1 O5 109.5(6) . . ?
O4 Pr1 O5 116.2(5) . . ?
O8 Pr1 O5 117.2(5) . . ?
O6 Pr1 O5 50.1(4) . . ?
O2 Pr1 O5 67.5(4) . . ?
O10 Pr1 O3 137.3(6) . . ?
O7 Pr1 O3 122.1(6) . . ?
O9 Pr1 O3 71.1(7) . . ?
O4 Pr1 O3 51.4(4) . . ?
O8 Pr1 O3 143.3(7) . . ?
O6 Pr1 O3 85.0(5) . . ?
O2 Pr1 O3 69.0(5) . . ?
O5 Pr1 O3 68.2(5) . . ?
O10 Pr1 O1 71.5(7) . . ?
O7 Pr1 O1 71.3(5) . . ?
O9 Pr1 O1 133.0(7) . . ?
O4 Pr1 O1 71.4(6) . . ?
O8 Pr1 O1 105.0(7) . . ?
O6 Pr1 O1 154.9(6) . . ?
O2 Pr1 O1 50.0(4) . . ?
O5 Pr1 O1 112.1(4) . . ?
O3 Pr1 O1 105.5(5) . . ?
O10 Pr1 C24 86.4(8) . . ?
O7 Pr1 C24 25.0(6) . . ?
O9 Pr1 C24 69.5(8) . . ?
O4 Pr1 C24 97.8(7) . . ?
O8 Pr1 C24 27.0(6) . . ?
O6 Pr1 C24 99.8(6) . . ?
O2 Pr1 C24 138.3(6) . . ?
O5 Pr1 C24 144.2(6) . . ?
O3 Pr1 C24 136.2(7) . . ?
O1 Pr1 C24 88.4(6) . . ?
O10 Pr1 C18 76.5(7) . . ?
O7 Pr1 C18 145.8(5) . . ?
O9 Pr1 C18 91.6(7) . . ?
O4 Pr1 C18 129.0(5) . . ?
O8 Pr1 C18 95.0(6) . . ?
O6 Pr1 C18 24.5(5) . . ?
O2 Pr1 C18 93.2(5) . . ?
O5 Pr1 C18 25.7(5) . . ?
O3 Pr1 C18 77.6(5) . . ?
O1 Pr1 C18 134.5(5) . . ?
C24 Pr1 C18 121.3(6) . . ?
N4 Cu4 Cu1 136.8(4) 5 . ?
N4 Cu4 I4 107.8(3) 5 . ?
Cu1 Cu4 I4 114.76(12) . . ?
N4 Cu4 Cu2 152.8(5) 5 . ?
Cu1 Cu4 Cu2 59.74(10) . . ?
I4 Cu4 Cu2 66.37(9) . . ?
N4 Cu4 Cu3 143.7(5) 5 . ?
Cu1 Cu4 Cu3 61.31(11) . . ?
I4 Cu4 Cu3 60.67(9) . . ?
Cu2 Cu4 Cu3 58.78(11) . . ?
N4 Cu4 I2 105.7(5) 5 . ?
Cu1 Cu4 I2 61.09(10) . . ?
I4 Cu4 I2 117.12(11) . . ?
Cu2 Cu4 I2 59.73(10) . . ?
Cu3 Cu4 I2 110.04(11) . . ?
N4 Cu4 I3 99.5(5) 5 . ?
Cu1 Cu4 I3 57.67(9) . . ?
I4 Cu4 I3 112.70(12) . . ?
Cu2 Cu4 I3 107.29(11) . . ?
Cu3 Cu4 I3 61.20(10) . . ?
I2 Cu4 I3 112.15(10) . . ?
N2 Cu3 Cu2 153.5(4) 2_675 . ?
N2 Cu3 I1 106.6(4) 2_675 . ?
Cu2 Cu3 I1 61.19(9) . . ?
N2 Cu3 Cu4 139.9(4) 2_675 . ?
Cu2 Cu3 Cu4 60.36(11) . . ?
I1 Cu3 Cu4 113.08(12) . . ?
N2 Cu3 I4 106.5(3) 2_675 . ?
Cu2 Cu3 I4 66.35(10) . . ?
I1 Cu3 I4 118.92(12) . . ?
Cu4 Cu3 I4 59.07(9) . . ?
N2 Cu3 Cu1 140.8(4) 2_675 . ?
Cu2 Cu3 Cu1 59.19(10) . . ?
I1 Cu3 Cu1 65.79(9) . . ?
Cu4 Cu3 Cu1 58.11(10) . . ?
I4 Cu3 Cu1 110.55(12) . . ?
N2 Cu3 I3 96.8(4) 2_675 . ?
Cu2 Cu3 I3 109.60(12) . . ?
I1 Cu3 I3 112.69(11) . . ?
Cu4 Cu3 I3 62.59(10) . . ?
I4 Cu3 I3 112.54(11) . . ?
Cu1 Cu3 I3 57.26(9) . . ?
N1 Cu2 Cu3 135.9(5) 1_655 . ?
N1 Cu2 Cu1 156.3(4) 1_655 . ?
Cu3 Cu2 Cu1 61.83(12) . . ?
N1 Cu2 Cu4 138.8(3) 1_655 . ?
Cu3 Cu2 Cu4 60.85(11) . . ?
Cu1 Cu2 Cu4 59.10(9) . . ?
N1 Cu2 I2 109.8(4) 1_655 . ?
Cu3 Cu2 I2 112.89(11) . . ?
Cu1 Cu2 I2 61.34(10) . . ?
Cu4 Cu2 I2 61.03(9) . . ?
N1 Cu2 I1 106.3(4) 1_655 . ?
Cu3 Cu2 I1 60.10(10) . . ?
Cu1 Cu2 I1 66.36(10) . . ?
Cu4 Cu2 I1 112.58(12) . . ?
I2 Cu2 I1 120.16(11) . . ?
N1 Cu2 I4 97.5(4) 1_655 . ?
Cu3 Cu2 I4 57.92(9) . . ?
Cu1 Cu2 I4 106.12(11) . . ?
Cu4 Cu2 I4 56.49(8) . . ?
I2 Cu2 I4 109.82(10) . . ?
I1 Cu2 I4 110.78(13) . . ?
N3 Cu1 Cu4 158.1(4) . . ?
N3 Cu1 Cu2 133.9(3) . . ?
Cu4 Cu1 Cu2 61.16(10) . . ?
N3 Cu1 I3 108.7(3) . . ?
Cu4 Cu1 I3 65.90(10) . . ?
Cu2 Cu1 I3 115.08(12) . . ?
N3 Cu1 Cu3 138.1(5) . . ?
Cu4 Cu1 Cu3 60.58(10) . . ?
Cu2 Cu1 Cu3 58.99(12) . . ?
I3 Cu1 Cu3 63.77(10) . . ?
N3 Cu1 I2 109.1(4) . . ?
Cu4 Cu1 I2 61.33(10) . . ?
Cu2 Cu1 I2 60.25(10) . . ?
I3 Cu1 I2 119.49(12) . . ?
Cu3 Cu1 I2 109.65(11) . . ?
N3 Cu1 I1 94.4(4) . . ?
Cu4 Cu1 I1 107.43(11) . . ?
Cu2 Cu1 I1 57.82(9) . . ?
I3 Cu1 I1 110.38(13) . . ?
Cu3 Cu1 I1 56.49(9) . . ?
I2 Cu1 I1 111.77(10) . . ?
Cu2 I2 Cu1 58.41(9) . . ?
Cu2 I2 Cu4 59.24(9) . . ?
Cu1 I2 Cu4 57.58(9) . . ?
Cu4 I4 Cu3 60.26(9) . . ?
Cu4 I4 Cu2 57.14(8) . . ?
Cu3 I4 Cu2 55.72(9) . . ?
Cu1 I3 Cu3 58.97(9) . . ?
Cu1 I3 Cu4 56.42(8) . . ?
Cu3 I3 Cu4 56.22(8) . . ?
Cu3 I1 Cu2 58.71(9) . . ?
Cu3 I1 Cu1 57.71(9) . . ?
Cu2 I1 Cu1 55.82(8) . . ?
C6 O1 Pr1 90.9(12) . . ?
C6 O2 Na1 168.8(14) . . ?
C6 O2 Pr1 92.8(12) . . ?
Na1 O2 Pr1 94.3(5) . . ?
C12 O3 Na1 120.0(14) . . ?
C12 O3 Pr1 91.3(13) . . ?
Na1 O3 Pr1 92.7(5) . . ?
C12 O4 Pr1 96.0(14) . . ?
C18 O5 Na1 144.3(14) . . ?
C18 O5 Pr1 91.8(10) . . ?
Na1 O5 Pr1 95.5(5) . . ?
C18 O6 Pr1 94.6(12) . . ?
C24 O7 Pr1 94.9(15) . . ?
C24 O8 Pr1 91.3(15) . . ?
C1 N1 C5 120.0 . . ?
C1 N1 Cu2 120.9(6) . 1_455 ?
C5 N1 Cu2 118.5(6) . 1_455 ?
C2 C1 N1 120.0 . . ?
C1 C2 C3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 C6 122.2(11) . . ?
C2 C3 C6 117.8(11) . . ?
C3 C4 C5 120.0 . . ?
C4 C5 N1 120.0 . . ?
O1 C6 O2 126(2) . . ?
O1 C6 C3 120.5(16) . . ?
O2 C6 C3 113.3(18) . . ?
O1 C6 Pr1 64.6(12) . . ?
O2 C6 Pr1 61.7(10) . . ?
C3 C6 Pr1 174.9(13) . . ?
C7 N2 C11 120.0 . . ?
C7 N2 Cu3 119.2(6) . 2_674 ?
C11 N2 Cu3 119.0(7) . 2_674 ?
N2 C7 C8 120.0 . . ?
C7 C8 C9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 C12 117.3(10) . . ?
C8 C9 C12 122.7(10) . . ?
C9 C10 C11 120.0 . . ?
C10 C11 N2 120.0 . . ?
O4 C12 O3 121(2) . . ?
O4 C12 C9 121.7(17) . . ?
O3 C12 C9 116.8(16) . . ?
O4 C12 Pr1 59.1(12) . . ?
O3 C12 Pr1 62.1(12) . . ?
C9 C12 Pr1 176.1(17) . . ?
C13 N3 C17 120.0 . . ?
C13 N3 Cu1 121.8(6) . . ?
C17 N3 Cu1 117.5(6) . . ?
N3 C13 C14 120.0 . . ?
C15 C14 C13 120.0 . . ?
C16 C15 C14 120.0 . . ?
C16 C15 C18 119.3(10) . . ?
C14 C15 C18 120.2(10) . . ?
C15 C16 C17 120.0 . . ?
C16 C17 N3 120.0 . . ?
O6 C18 O5 122.6(18) . . ?
O6 C18 C15 119.7(17) . . ?
O5 C18 C15 115.9(14) . . ?
O6 C18 Pr1 60.8(11) . . ?
O5 C18 Pr1 62.5(9) . . ?
C15 C18 Pr1 175.2(13) . . ?
C19 N4 C23 120.0 . . ?
C19 N4 Cu4 117.8(6) . 5_445 ?
C23 N4 Cu4 121.2(6) . 5_445 ?
N4 C19 C20 120.0 . . ?
C19 C20 C21 120.0 . . ?
C22 C21 C20 120.0 . . ?
C22 C21 C24 120.3(13) . . ?
C20 C21 C24 119.7(13) . . ?
C21 C22 C23 120.0 . . ?
C22 C23 N4 120.0 . . ?
O7 C24 O8 122(2) . . ?
O7 C24 C21 121(2) . . ?
O8 C24 C21 117.5(19) . . ?
O7 C24 Pr1 60.1(12) . . ?
O8 C24 Pr1 61.7(12) . . ?
C21 C24 Pr1 171.7(18) . . ?
O5 Na1 O5 106.5(8) . 4_575 ?
O5 Na1 O2 171.1(6) . 4_575 ?
O5 Na1 O2 75.7(5) 4_575 4_575 ?
O5 Na1 O2 75.7(5) . . ?
O5 Na1 O2 171.1(6) 4_575 . ?
O2 Na1 O2 103.4(7) 4_575 . ?
O5 Na1 O3 76.7(5) . . ?
O5 Na1 O3 95.8(5) 4_575 . ?
O2 Na1 O3 111.8(5) 4_575 . ?
O2 Na1 O3 76.2(5) . . ?
O5 Na1 O3 95.8(5) . 4_575 ?
O5 Na1 O3 76.7(5) 4_575 4_575 ?
O2 Na1 O3 76.2(5) 4_575 4_575 ?
O2 Na1 O3 111.8(5) . 4_575 ?
O3 Na1 O3 167.6(8) . 4_575 ?
O5 Na1 Pr1 45.3(3) . . ?
O5 Na1 Pr1 130.8(4) 4_575 . ?
O2 Na1 Pr1 139.3(4) 4_575 . ?
O2 Na1 Pr1 45.1(3) . . ?
O3 Na1 Pr1 46.0(3) . . ?
O3 Na1 Pr1 133.3(3) 4_575 . ?
O5 Na1 Pr1 130.8(4) . 4_575 ?
O5 Na1 Pr1 45.3(3) 4_575 4_575 ?
O2 Na1 Pr1 45.1(3) 4_575 4_575 ?
O2 Na1 Pr1 139.3(4) . 4_575 ?
O3 Na1 Pr1 133.3(3) . 4_575 ?
O3 Na1 Pr1 46.0(3) 4_575 4_575 ?
Pr1 Na1 Pr1 175.2(3) . 4_575 ?

_diffrn_measured_fraction_theta_max 0.970
_diffrn_reflns_theta_full        24.76
_diffrn_measured_fraction_theta_full 0.970
_refine_diff_density_max         1.463
_refine_diff_density_min         -1.362
_refine_diff_density_rms         0.345
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_6
_database_code_depnum_ccdc_archive 'CCDC 1419822'
_audit_update_record             
;
2015-08-20 deposited with the CCDC.
2016-09-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            6
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C58.60 H40 Cu12 I12 K N10 O30.40 Pr3'
_chemical_formula_weight         4117.72

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'
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'
K K 0.2009 0.2494 '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'
Pr Pr -0.2180 2.8214 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   C2/m

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   30.332(4)
_cell_length_b                   46.354(6)
_cell_length_c                   18.130(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 116.729(2)
_cell_angle_gamma                90.00
_cell_volume                     22767(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.201
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7539
_exptl_absorpt_coefficient_mu    3.401
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.849
_exptl_absorpt_correction_T_max  0.967
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            55135
_diffrn_reflns_av_R_equivalents  0.0632
_diffrn_reflns_av_sigmaI/netI    0.0975
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -52
_diffrn_reflns_limit_k_max       53
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         0.87
_diffrn_reflns_theta_max         24.00
_reflns_number_total             17342
_reflns_number_gt                9124
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1809P)²+2544.3486P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         17342
_refine_ls_number_parameters     542
_refine_ls_number_restraints     51
_refine_ls_R_factor_all          0.2230
_refine_ls_R_factor_gt           0.1302
_refine_ls_wR_factor_ref         0.4407
_refine_ls_wR_factor_gt          0.3437
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pr1 Pr 0.92753(6) 0.82788(4) 0.76702(9) 0.0550(5) Uani 1 1 d . . .
Pr2 Pr 0.48013(14) 1.0000 0.8615(3) 0.1298(15) Uani 1 2 d SDU . .
Cu1 Cu 0.69395(16) 0.84907(8) 1.0869(3) 0.0750(12) Uani 1 1 d . . .
Cu6 Cu 1.2267(3) 1.0000 0.8587(8) 0.145(4) Uani 1 2 d S . .
Cu2 Cu 0.76640(15) 0.81957(8) 1.0888(2) 0.0640(10) Uani 1 1 d . . .
Cu3 Cu 0.74506(14) 0.81331(8) 1.2092(2) 0.0617(10) Uani 1 1 d . . .
Cu4 Cu 0.68292(13) 0.79328(8) 1.0691(2) 0.0579(9) Uani 1 1 d . . .
Cu5 Cu 1.1449(2) 0.97192(10) 0.8052(5) 0.125(2) Uani 1 1 d . . .
Cu7 Cu 1.1730(4) 1.0000 0.7022(8) 0.146(4) Uani 1 2 d S . .
I5 I 1.16822(18) 1.0000 0.9427(4) 0.1224(16) Uani 1 2 d S . .
I7 I 1.21909(16) 1.04797(6) 0.7777(3) 0.1554(18) Uani 1 1 d . . .
I1 I 0.67573(9) 0.82639(5) 0.94319(12) 0.0739(7) Uani 1 1 d . . .
I3 I 0.77141(7) 0.76705(4) 1.14805(11) 0.0521(5) Uani 1 1 d . . .
I2 I 0.78741(8) 0.86323(4) 1.18995(14) 0.0675(6) Uani 1 1 d . . .
I4 I 0.65053(8) 0.81931(5) 1.16905(13) 0.0687(6) Uani 1 1 d . . .
I6 I 1.0790(2) 1.0000 0.6689(5) 0.164(2) Uani 1 2 d S . .
K1 K 1.0000 0.8561(2) 1.0000 0.058(2) Uani 1 2 d S . .
O1 O 0.9095(8) 0.8463(4) 0.8854(12) 0.067(6) Uani 1 1 d . . .
O2 O 0.8613(9) 0.8133(6) 0.8074(13) 0.088(8) Uani 1 1 d . . .
O3 O 0.9885(6) 0.8053(4) 0.9004(10) 0.049(4) Uani 1 1 d . . .
O4 O 1.0091(7) 0.8028(5) 0.7983(11) 0.064(6) Uani 1 1 d . . .
O5 O 0.8485(7) 0.8228(6) 0.6358(12) 0.084(7) Uani 1 1 d . . .
O6 O 0.9143(8) 0.8115(6) 0.6238(12) 0.081(7) Uani 1 1 d . . .
O7 O 0.9940(8) 0.8653(5) 0.8476(14) 0.075(6) Uani 1 1 d . . .
O8 O 0.9783(9) 0.8604(5) 0.7157(14) 0.078(6) Uani 1 1 d . . .
N1 N 0.8090(7) 0.8207(3) 1.0306(10) 0.059(6) Uani 1 1 d G . .
C1 C 0.8441(7) 0.8420(3) 1.0453(10) 0.066(9) Uani 1 1 d G . .
H1A H 0.8529 0.8547 1.0908 0.079 Uiso 1 1 calc R . .
C2 C 0.8663(6) 0.8448(4) 0.9932(12) 0.067(9) Uani 1 1 d G . .
H2A H 0.8903 0.8594 1.0032 0.080 Uiso 1 1 calc R . .
C3 C 0.8534(6) 0.8262(4) 0.9265(10) 0.051(7) Uani 1 1 d G . .
C4 C 0.8182(7) 0.8048(4) 0.9119(9) 0.058(8) Uani 1 1 d G . .
H4A H 0.8094 0.7921 0.8663 0.070 Uiso 1 1 calc R . .
C5 C 0.7960(6) 0.8021(3) 0.9639(11) 0.074(10) Uani 1 1 d G . .
H5A H 0.7720 0.7875 0.9539 0.088 Uiso 1 1 calc R . .
C6 C 0.8749(9) 0.8287(5) 0.8661(15) 0.040(6) Uani 1 1 d . . .
N2 N 1.1332(5) 0.7383(3) 1.0133(10) 0.056(6) Uani 1 1 d G . .
C7 C 1.1019(6) 0.7487(3) 1.0446(7) 0.046(6) Uani 1 1 d G . .
H7A H 1.1060 0.7424 1.0971 0.055 Uiso 1 1 calc R . .
C8 C 1.0648(6) 0.7682(3) 0.9990(9) 0.050(7) Uani 1 1 d G . .
H8A H 1.0435 0.7752 1.0204 0.060 Uiso 1 1 calc R . .
C9 C 1.0589(5) 0.7774(3) 0.9221(9) 0.041(6) Uani 1 1 d G . .
C10 C 1.0902(6) 0.7671(4) 0.8908(8) 0.051(7) Uani 1 1 d G . .
H10A H 1.0861 0.7733 0.8383 0.061 Uiso 1 1 calc R . .
C11 C 1.1273(6) 0.7475(4) 0.9364(10) 0.077(10) Uani 1 1 d G . .
H11A H 1.1486 0.7405 0.9150 0.092 Uiso 1 1 calc R . .
C12 C 1.0153(10) 0.7978(6) 0.8680(18) 0.052(7) Uani 1 1 d . . .
N3 N 0.7800(6) 0.8091(4) 0.3310(8) 0.060(6) Uani 1 1 d G . .
C13 C 0.7596(6) 0.8194(5) 0.3809(11) 0.123(18) Uani 1 1 d G . .
H13A H 0.7259 0.8251 0.3569 0.147 Uiso 1 1 calc R . .
C14 C 0.7884(7) 0.8213(5) 0.4658(10) 0.067(8) Uani 1 1 d GU . .
H14A H 0.7744 0.8284 0.4999 0.080 Uiso 1 1 calc R . .
C15 C 0.8377(7) 0.8130(4) 0.5009(8) 0.055(7) Uani 1 1 d G . .
C16 C 0.8581(5) 0.8027(5) 0.4511(10) 0.084(11) Uani 1 1 d G . .
H16A H 0.8918 0.7970 0.4751 0.101 Uiso 1 1 calc R . .
C17 C 0.8293(7) 0.8007(5) 0.3661(10) 0.088(12) Uani 1 1 d G . .
H17A H 0.8432 0.7937 0.3321 0.105 Uiso 1 1 calc R . .
C18 C 0.8676(11) 0.8162(8) 0.5899(16) 0.064(9) Uani 1 1 d . . .
N4 N 1.1081(10) 0.9364(5) 0.812(2) 0.120(13) Uani 1 1 d G . .
C19 C 1.0954(10) 0.9323(5) 0.8760(15) 0.119(16) Uani 1 1 d G . .
H19A H 1.1098 0.9440 0.9240 0.143 Uiso 1 1 calc R . .
C20 C 1.0617(10) 0.9109(5) 0.8698(15) 0.093(11) Uani 1 1 d GU . .
H20A H 1.0531 0.9081 0.9135 0.112 Uiso 1 1 calc R . .
C21 C 1.0407(9) 0.8937(4) 0.7996(17) 0.079(9) Uani 1 1 d GU . .
C22 C 1.0534(12) 0.8979(6) 0.7356(16) 0.16(3) Uani 1 1 d G . .
H22A H 1.0390 0.8861 0.6876 0.192 Uiso 1 1 calc R . .
C23 C 1.0871(13) 0.9192(6) 0.7418(19) 0.17(3) Uani 1 1 d G . .
H23A H 1.0957 0.9221 0.6980 0.209 Uiso 1 1 calc R . .
C24 C 1.0004(11) 0.8714(7) 0.788(2) 0.066(9) Uani 1 1 d . . .
O9 O 0.9133(11) 0.7740(6) 0.7535(18) 0.124(10) Uani 1 1 d . . .
O10 O 0.8843(10) 0.8764(7) 0.724(2) 0.122(10) Uani 1 1 d . . .
N5 N 0.6581(9) 0.8861(5) 1.0636(17) 0.094(10) Uani 1 1 d G . .
C27 C 0.6647(10) 0.9031(6) 1.1309(14) 0.136(19) Uani 1 1 d G . .
H27A H 0.6897 0.8984 1.1844 0.164 Uiso 1 1 calc R . .
C29 C 0.6346(12) 0.9270(6) 1.1199(19) 0.14(2) Uani 1 1 d G . .
H29A H 0.6391 0.9386 1.1660 0.165 Uiso 1 1 calc R . .
C28 C 0.5980(10) 0.9338(5) 1.042(2) 0.110(16) Uani 1 1 d GD . .
C26 C 0.5914(11) 0.9168(7) 0.9743(17) 0.17(3) Uani 1 1 d G . .
H26A H 0.5663 0.9215 0.9208 0.205 Uiso 1 1 calc R . .
C25 C 0.6214(12) 0.8929(6) 0.9853(15) 0.15(2) Uani 1 1 d G . .
H25A H 0.6169 0.8813 0.9393 0.183 Uiso 1 1 calc R . .
C30 C 0.5663(8) 0.9577(4) 1.030(3) 0.05(2) Uani 0.30 1 d PDU . .
O11 O 0.5387(12) 0.9679(6) 0.953(3) 0.183(19) Uani 1 1 d D . .
O12 O 0.5648(12) 0.9695(6) 1.096(3) 0.19(2) Uani 1 1 d D . .
O2W O 1.0000 0.9216(19) 1.0000 0.25(3) Uani 1 2 d SU . .
O15 O 0.3974(16) 1.0000 0.742(3) 0.131(7) Uani 1 2 d SU . .
O14 O 0.4727(16) 1.0476(9) 0.777(3) 0.181(9) Uani 1 1 d U . .
O13 O 0.538(3) 1.0000 0.811(7) 0.13(4) Uani 0.40 2 d SPDU . .
O1W O 1.0098(11) 0.8128(7) 0.6483(16) 0.074(9) Uani 0.70 1 d P . .
O1W' O 1.080(2) 0.8184(14) 0.707(4) 0.063(17) Uani 0.30 1 d PU . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pr1 O5 2.52(2) . ?
Pr1 O3 2.518(17) . ?
Pr1 O2 2.52(2) . ?
Pr1 O9 2.53(3) . ?
Pr1 O10 2.54(3) . ?
Pr1 O4 2.555(19) . ?
Pr1 O6 2.557(19) . ?
Pr1 O7 2.56(2) . ?
Pr1 O1 2.586(17) . ?
Pr1 O8 2.61(2) . ?
Pr1 C12 2.83(3) . ?
Pr1 C24 2.89(3) . ?
Pr2 O12 2.32(3) 5_677 ?
Pr2 O12 2.32(3) 2_657 ?
Pr2 O13 2.33(5) . ?
Pr2 O11 2.34(3) 6_575 ?
Pr2 O11 2.34(3) . ?
Pr2 O15 2.47(4) . ?
Pr2 O14 2.64(4) 6_575 ?
Pr2 O14 2.64(4) . ?
Cu1 N5 1.973(18) . ?
Cu1 Cu2 2.575(6) . ?
Cu1 Cu4 2.609(5) . ?
Cu1 I1 2.628(5) . ?
Cu1 Cu3 2.641(5) . ?
Cu1 I2 2.682(5) . ?
Cu1 I4 2.760(5) . ?
Cu6 Cu7 2.559(18) . ?
Cu6 Cu5 2.574(9) . ?
Cu6 Cu5 2.574(9) 6_575 ?
Cu6 I7 2.617(7) 6_575 ?
Cu6 I7 2.617(7) . ?
Cu6 I5 2.810(11) . ?
Cu2 N1 2.002(13) . ?
Cu2 Cu3 2.557(5) . ?
Cu2 I2 2.610(4) . ?
Cu2 I3 2.638(4) . ?
Cu2 Cu4 2.685(5) . ?
Cu2 I1 2.847(5) . ?
Cu3 N3 1.984(13) 1_556 ?
Cu3 Cu4 2.561(5) . ?
Cu3 I4 2.637(4) . ?
Cu3 I3 2.695(4) . ?
Cu3 I2 2.744(4) . ?
Cu4 N2 2.019(12) 8_465 ?
Cu4 I1 2.677(4) . ?
Cu4 I3 2.698(4) . ?
Cu4 I4 2.703(4) . ?
Cu5 N4 2.024(18) . ?
Cu5 Cu5 2.603(10) 6_575 ?
Cu5 I5 2.611(8) . ?
Cu5 I7 2.678(6) 6_575 ?
Cu5 Cu7 2.709(11) . ?
Cu5 I6 2.713(10) . ?
Cu7 I6 2.635(12) . ?
Cu7 I7 2.656(8) . ?
Cu7 I7 2.656(8) 6_575 ?
Cu7 Cu5 2.709(11) 6_575 ?
I5 Cu5 2.611(8) 6_575 ?
I7 Cu5 2.678(6) 6_575 ?
I6 Cu5 2.713(10) 6_575 ?
K1 O1 2.63(2) . ?
K1 O1 2.63(2) 2_757 ?
K1 O7 2.72(2) . ?
K1 O7 2.72(2) 2_757 ?
K1 O3 2.891(19) . ?
K1 O3 2.891(19) 2_757 ?
K1 O2W 3.04(9) . ?
K1 Pr1 4.003(3) 2_757 ?
O1 C6 1.25(3) . ?
O2 C6 1.19(3) . ?
O3 C12 1.25(3) . ?
O4 C12 1.21(3) . ?
O5 C18 1.25(3) . ?
O6 C18 1.28(3) . ?
O7 C24 1.22(3) . ?
O8 C24 1.28(4) . ?
N1 C1 1.3900 . ?
N1 C5 1.3900 . ?
C1 C2 1.3900 . ?
C2 C3 1.3900 . ?
C3 C4 1.3900 . ?
C3 C6 1.51(3) . ?
C4 C5 1.3900 . ?
N2 C7 1.3900 . ?
N2 C11 1.3900 . ?
N2 Cu4 2.019(11) 8_565 ?
C7 C8 1.3900 . ?
C8 C9 1.3900 . ?
C9 C10 1.3900 . ?
C9 C12 1.56(3) . ?
C10 C11 1.3900 . ?
N3 C13 1.3900 . ?
N3 C17 1.3900 . ?
N3 Cu3 1.984(13) 1_554 ?
C13 C14 1.3900 . ?
C14 C15 1.3900 . ?
C15 C16 1.3900 . ?
C15 C18 1.46(3) . ?
C16 C17 1.3900 . ?
N4 C19 1.3900 . ?
N4 C23 1.3900 . ?
C19 C20 1.3900 . ?
C20 C21 1.3900 . ?
C21 C22 1.3900 . ?
C21 C24 1.54(3) . ?
C22 C23 1.3900 . ?
N5 C27 1.3900 . ?
N5 C25 1.3900 . ?
C27 C29 1.3900 . ?
C29 C28 1.3900 . ?
C28 C26 1.3900 . ?
C28 C30 1.418(10) . ?
C26 C25 1.3900 . ?
C30 O12 1.344(10) . ?
C30 O11 1.344(10) . ?
O12 Pr2 2.32(3) 5_677 ?

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
_geom_angle_publ_flag
O5 Pr1 O3 147.6(7) . . ?
O5 Pr1 O2 72.8(7) . . ?
O3 Pr1 O2 86.9(7) . . ?
O5 Pr1 O9 76.5(9) . . ?
O3 Pr1 O9 72.6(7) . . ?
O2 Pr1 O9 68.8(10) . . ?
O5 Pr1 O10 69.8(9) . . ?
O3 Pr1 O10 135.7(8) . . ?
O2 Pr1 O10 87.5(9) . . ?
O9 Pr1 O10 143.3(10) . . ?
O5 Pr1 O4 125.7(7) . . ?
O3 Pr1 O4 51.6(5) . . ?
O2 Pr1 O4 129.2(8) . . ?
O9 Pr1 O4 71.3(9) . . ?
O10 Pr1 O4 141.7(8) . . ?
O5 Pr1 O6 50.5(6) . . ?
O3 Pr1 O6 124.3(7) . . ?
O2 Pr1 O6 115.7(7) . . ?
O9 Pr1 O6 70.5(9) . . ?
O10 Pr1 O6 97.5(9) . . ?
O4 Pr1 O6 77.6(6) . . ?
O5 Pr1 O7 140.7(8) . . ?
O3 Pr1 O7 71.6(7) . . ?
O2 Pr1 O7 122.8(7) . . ?
O9 Pr1 O7 141.4(8) . . ?
O10 Pr1 O7 74.9(9) . . ?
O4 Pr1 O7 75.3(7) . . ?
O6 Pr1 O7 120.3(7) . . ?
O5 Pr1 O1 110.4(7) . . ?
O3 Pr1 O1 71.2(6) . . ?
O2 Pr1 O1 49.8(6) . . ?
O9 Pr1 O1 108.4(9) . . ?
O10 Pr1 O1 71.8(9) . . ?
O4 Pr1 O1 120.7(6) . . ?
O6 Pr1 O1 160.9(7) . . ?
O7 Pr1 O1 73.1(6) . . ?
O5 Pr1 O8 100.5(7) . . ?
O3 Pr1 O8 106.7(6) . . ?
O2 Pr1 O8 159.2(8) . . ?
O9 Pr1 O8 129.8(10) . . ?
O10 Pr1 O8 71.8(8) . . ?
O4 Pr1 O8 70.9(7) . . ?
O6 Pr1 O8 70.0(8) . . ?
O7 Pr1 O8 51.1(7) . . ?
O1 Pr1 O8 119.0(7) . . ?
O5 Pr1 C12 141.7(8) . . ?
O3 Pr1 C12 26.2(7) . . ?
O2 Pr1 C12 108.7(8) . . ?
O9 Pr1 C12 69.3(8) . . ?
O10 Pr1 C12 147.1(9) . . ?
O4 Pr1 C12 25.4(7) . . ?
O6 Pr1 C12 100.6(8) . . ?
O7 Pr1 C12 72.2(7) . . ?
O1 Pr1 C12 96.5(8) . . ?
O8 Pr1 C12 88.9(8) . . ?
O5 Pr1 C24 122.5(8) . . ?
O3 Pr1 C24 88.7(7) . . ?
O2 Pr1 C24 144.4(9) . . ?
O9 Pr1 C24 142.2(10) . . ?
O10 Pr1 C24 71.5(9) . . ?
O4 Pr1 C24 71.4(8) . . ?
O6 Pr1 C24 95.8(9) . . ?
O7 Pr1 C24 24.9(7) . . ?
O1 Pr1 C24 95.5(8) . . ?
O8 Pr1 C24 26.2(8) . . ?
C12 Pr1 C24 79.5(8) . . ?
O12 Pr2 O12 75.2(18) 5_677 2_657 ?
O12 Pr2 O13 142.4(9) 5_677 . ?
O12 Pr2 O13 142.4(9) 2_657 . ?
O12 Pr2 O11 75.5(11) 5_677 6_575 ?
O12 Pr2 O11 121.7(10) 2_657 6_575 ?
O13 Pr2 O11 79(2) . 6_575 ?
O12 Pr2 O11 121.7(10) 5_677 . ?
O12 Pr2 O11 75.5(11) 2_657 . ?
O13 Pr2 O11 79(2) . . ?
O11 Pr2 O11 79.0(16) 6_575 . ?
O12 Pr2 O15 77.0(13) 5_677 . ?
O12 Pr2 O15 77.0(13) 2_657 . ?
O13 Pr2 O15 108(3) . . ?
O11 Pr2 O15 140.4(8) 6_575 . ?
O11 Pr2 O15 140.4(8) . . ?
O12 Pr2 O14 142.4(13) 5_677 6_575 ?
O12 Pr2 O14 76.8(14) 2_657 6_575 ?
O13 Pr2 O14 69.6(16) . 6_575 ?
O11 Pr2 O14 141.6(12) 6_575 6_575 ?
O11 Pr2 O14 73.7(13) . 6_575 ?
O15 Pr2 O14 72.7(11) . 6_575 ?
O12 Pr2 O14 76.8(14) 5_677 . ?
O12 Pr2 O14 142.4(13) 2_657 . ?
O13 Pr2 O14 69.6(16) . . ?
O11 Pr2 O14 73.7(13) 6_575 . ?
O11 Pr2 O14 141.6(13) . . ?
O15 Pr2 O14 72.7(11) . . ?
O14 Pr2 O14 114(2) 6_575 . ?
N5 Cu1 Cu2 148.2(9) . . ?
N5 Cu1 Cu4 143.9(8) . . ?
Cu2 Cu1 Cu4 62.40(14) . . ?
N5 Cu1 I1 106.6(8) . . ?
Cu2 Cu1 I1 66.33(14) . . ?
Cu4 Cu1 I1 61.50(12) . . ?
N5 Cu1 Cu3 141.7(9) . . ?
Cu2 Cu1 Cu3 58.69(14) . . ?
Cu4 Cu1 Cu3 58.39(14) . . ?
I1 Cu1 Cu3 111.33(16) . . ?
N5 Cu1 I2 104.2(8) . . ?
Cu2 Cu1 I2 59.49(13) . . ?
Cu4 Cu1 I2 111.44(16) . . ?
I1 Cu1 I2 118.27(18) . . ?
Cu3 Cu1 I2 62.06(13) . . ?
N5 Cu1 I4 101.5(9) . . ?
Cu2 Cu1 I4 109.81(17) . . ?
Cu4 Cu1 I4 60.37(13) . . ?
I1 Cu1 I4 113.36(16) . . ?
Cu3 Cu1 I4 58.39(13) . . ?
I2 Cu1 I4 110.98(16) . . ?
Cu7 Cu6 Cu5 63.7(3) . . ?
Cu7 Cu6 Cu5 63.7(3) . 6_575 ?
Cu5 Cu6 Cu5 60.8(3) . 6_575 ?
Cu7 Cu6 I7 61.7(3) . 6_575 ?
Cu5 Cu6 I7 62.1(2) . 6_575 ?
Cu5 Cu6 I7 113.1(4) 6_575 6_575 ?
Cu7 Cu6 I7 61.7(3) . . ?
Cu5 Cu6 I7 113.1(4) . . ?
Cu5 Cu6 I7 62.1(2) 6_575 . ?
I7 Cu6 I7 116.4(5) 6_575 . ?
Cu7 Cu6 I5 111.0(4) . . ?
Cu5 Cu6 I5 57.8(2) . . ?
Cu5 Cu6 I5 57.8(2) 6_575 . ?
I7 Cu6 I5 112.7(2) 6_575 . ?
I7 Cu6 I5 112.7(2) . . ?
N1 Cu2 Cu3 157.5(6) . . ?
N1 Cu2 Cu1 136.7(6) . . ?
Cu3 Cu2 Cu1 61.94(15) . . ?
N1 Cu2 I2 109.8(4) . . ?
Cu3 Cu2 I2 64.16(13) . . ?
Cu1 Cu2 I2 62.30(13) . . ?
N1 Cu2 I3 107.8(5) . . ?
Cu3 Cu2 I3 62.49(13) . . ?
Cu1 Cu2 I3 112.84(17) . . ?
I2 Cu2 I3 118.61(16) . . ?
N1 Cu2 Cu4 137.2(5) . . ?
Cu3 Cu2 Cu4 58.43(13) . . ?
Cu1 Cu2 Cu4 59.42(15) . . ?
I2 Cu2 Cu4 111.29(15) . . ?
I3 Cu2 Cu4 60.89(12) . . ?
N1 Cu2 I1 95.2(6) . . ?
Cu3 Cu2 I1 107.13(16) . . ?
Cu1 Cu2 I1 57.72(13) . . ?
I2 Cu2 I1 113.22(15) . . ?
I3 Cu2 I1 109.56(14) . . ?
Cu4 Cu2 I1 57.80(12) . . ?
N3 Cu3 Cu2 138.4(6) 1_556 . ?
N3 Cu3 Cu4 148.8(6) 1_556 . ?
Cu2 Cu3 Cu4 63.30(14) . . ?
N3 Cu3 I4 106.7(6) 1_556 . ?
Cu2 Cu3 I4 114.44(17) . . ?
Cu4 Cu3 I4 62.64(12) . . ?
N3 Cu3 Cu1 144.5(6) 1_556 . ?
Cu2 Cu3 Cu1 59.37(15) . . ?
Cu4 Cu3 Cu1 60.18(14) . . ?
I4 Cu3 Cu1 63.07(14) . . ?
N3 Cu3 I3 105.7(6) 1_556 . ?
Cu2 Cu3 I3 60.23(12) . . ?
Cu4 Cu3 I3 61.69(12) . . ?
I4 Cu3 I3 117.21(15) . . ?
Cu1 Cu3 I3 108.95(15) . . ?
N3 Cu3 I2 100.3(6) 1_556 . ?
Cu2 Cu3 I2 58.86(12) . . ?
Cu4 Cu3 I2 110.94(16) . . ?
I4 Cu3 I2 112.90(15) . . ?
Cu1 Cu3 I2 59.71(13) . . ?
I3 Cu3 I2 112.10(14) . . ?
N2 Cu4 Cu3 144.2(5) 8_465 . ?
N2 Cu4 Cu1 143.8(5) 8_465 . ?
Cu3 Cu4 Cu1 61.43(15) . . ?
N2 Cu4 I1 103.5(5) 8_465 . ?
Cu3 Cu4 I1 112.28(16) . . ?
Cu1 Cu4 I1 59.60(13) . . ?
N2 Cu4 Cu2 147.5(5) 8_465 . ?
Cu3 Cu4 Cu2 58.27(14) . . ?
Cu1 Cu4 Cu2 58.18(15) . . ?
I1 Cu4 Cu2 64.12(13) . . ?
N2 Cu4 I3 106.2(5) 8_465 . ?
Cu3 Cu4 I3 61.60(12) . . ?
Cu1 Cu4 I3 109.85(16) . . ?
I1 Cu4 I3 112.99(14) . . ?
Cu2 Cu4 I3 58.68(12) . . ?
N2 Cu4 I4 104.2(5) 8_465 . ?
Cu3 Cu4 I4 60.05(12) . . ?
Cu1 Cu4 I4 62.59(14) . . ?
I1 Cu4 I4 113.64(15) . . ?
Cu2 Cu4 I4 108.27(14) . . ?
I3 Cu4 I4 114.88(14) . . ?
N4 Cu5 Cu6 148.6(10) . . ?
N4 Cu5 Cu5 144.4(8) . 6_575 ?
Cu6 Cu5 Cu5 59.62(15) . 6_575 ?
N4 Cu5 I5 105.5(9) . . ?
Cu6 Cu5 I5 65.6(3) . . ?
Cu5 Cu5 I5 60.10(14) 6_575 . ?
N4 Cu5 I7 105.3(8) . 6_575 ?
Cu6 Cu5 I7 59.7(2) . 6_575 ?
Cu5 Cu5 I7 110.14(12) 6_575 6_575 ?
I5 Cu5 I7 117.4(3) . 6_575 ?
N4 Cu5 Cu7 141.8(10) . . ?
Cu6 Cu5 Cu7 57.9(4) . . ?
Cu5 Cu5 Cu7 61.29(15) 6_575 . ?
I5 Cu5 Cu7 112.6(3) . . ?
I7 Cu5 Cu7 59.1(2) 6_575 . ?
N4 Cu5 I6 104.1(10) . . ?
Cu6 Cu5 I6 106.9(3) . . ?
Cu5 Cu5 I6 61.33(14) 6_575 . ?
I5 Cu5 I6 113.7(2) . . ?
I7 Cu5 I6 109.4(3) 6_575 . ?
Cu7 Cu5 I6 58.2(3) . . ?
Cu6 Cu7 I6 109.8(4) . . ?
Cu6 Cu7 I7 60.2(3) . . ?
I6 Cu7 I7 112.5(2) . . ?
Cu6 Cu7 I7 60.2(3) . 6_575 ?
I6 Cu7 I7 112.5(3) . 6_575 ?
I7 Cu7 I7 113.7(5) . 6_575 ?
Cu6 Cu7 Cu5 58.4(3) . . ?
I6 Cu7 Cu5 61.0(3) . . ?
I7 Cu7 Cu5 107.6(4) . . ?
I7 Cu7 Cu5 59.9(2) 6_575 . ?
Cu6 Cu7 Cu5 58.4(3) . 6_575 ?
I6 Cu7 Cu5 61.0(3) . 6_575 ?
I7 Cu7 Cu5 59.9(2) . 6_575 ?
I7 Cu7 Cu5 107.6(4) 6_575 6_575 ?
Cu5 Cu7 Cu5 57.4(3) . 6_575 ?
Cu5 I5 Cu5 59.8(3) . 6_575 ?
Cu5 I5 Cu6 56.6(2) . . ?
Cu5 I5 Cu6 56.6(2) 6_575 . ?
Cu6 I7 Cu7 58.1(3) . . ?
Cu6 I7 Cu5 58.2(2) . 6_575 ?
Cu7 I7 Cu5 61.0(3) . 6_575 ?
Cu1 I1 Cu4 58.90(12) . . ?
Cu1 I1 Cu2 55.94(12) . . ?
Cu4 I1 Cu2 58.08(11) . . ?
Cu2 I3 Cu3 57.28(12) . . ?
Cu2 I3 Cu4 60.43(12) . . ?
Cu3 I3 Cu4 56.70(11) . . ?
Cu2 I2 Cu1 58.21(13) . . ?
Cu2 I2 Cu3 56.98(11) . . ?
Cu1 I2 Cu3 58.23(12) . . ?
Cu3 I4 Cu4 57.31(11) . . ?
Cu3 I4 Cu1 58.54(12) . . ?
Cu4 I4 Cu1 57.04(12) . . ?
Cu7 I6 Cu5 60.8(3) . 6_575 ?
Cu7 I6 Cu5 60.8(3) . . ?
Cu5 I6 Cu5 57.3(3) 6_575 . ?
O1 K1 O1 160.1(10) . 2_757 ?
O1 K1 O7 69.9(6) . . ?
O1 K1 O7 113.5(6) 2_757 . ?
O1 K1 O7 113.5(6) . 2_757 ?
O1 K1 O7 69.9(6) 2_757 2_757 ?
O7 K1 O7 161.8(10) . 2_757 ?
O1 K1 O3 64.9(6) . . ?
O1 K1 O3 98.2(6) 2_757 . ?
O7 K1 O3 63.9(6) . . ?
O7 K1 O3 134.2(7) 2_757 . ?
O1 K1 O3 98.2(6) . 2_757 ?
O1 K1 O3 64.9(6) 2_757 2_757 ?
O7 K1 O3 134.2(7) . 2_757 ?
O7 K1 O3 63.9(6) 2_757 2_757 ?
O3 K1 O3 70.9(7) . 2_757 ?
O1 K1 O2W 100.0(5) . . ?
O1 K1 O2W 100.0(5) 2_757 . ?
O7 K1 O2W 80.9(5) . . ?
O7 K1 O2W 80.9(5) 2_757 . ?
O3 K1 O2W 144.5(4) . . ?
O3 K1 O2W 144.5(4) 2_757 . ?
O1 K1 Pr1 39.5(4) . . ?
O1 K1 Pr1 131.2(5) 2_757 . ?
O7 K1 Pr1 39.3(5) . . ?
O7 K1 Pr1 151.3(5) 2_757 . ?
O3 K1 Pr1 38.8(3) . . ?
O3 K1 Pr1 104.4(4) 2_757 . ?
O2W K1 Pr1 109.05(13) . . ?
O1 K1 Pr1 131.2(5) . 2_757 ?
O1 K1 Pr1 39.5(4) 2_757 2_757 ?
O7 K1 Pr1 151.3(5) . 2_757 ?
O7 K1 Pr1 39.3(5) 2_757 2_757 ?
O3 K1 Pr1 104.4(4) . 2_757 ?
O3 K1 Pr1 38.8(4) 2_757 2_757 ?
O2W K1 Pr1 109.05(13) . 2_757 ?
Pr1 K1 Pr1 141.9(3) . 2_757 ?
C6 O1 Pr1 91.0(15) . . ?
C6 O1 K1 141.4(18) . . ?
Pr1 O1 K1 100.2(6) . . ?
C6 O2 Pr1 95.5(17) . . ?
C12 O3 Pr1 90.9(16) . . ?
C12 O3 K1 126.7(17) . . ?
Pr1 O3 K1 95.2(6) . . ?
C12 O4 Pr1 89.9(16) . . ?
C18 O5 Pr1 97.0(17) . . ?
C18 O6 Pr1 94.1(15) . . ?
C24 O7 Pr1 92.8(19) . . ?
C24 O7 K1 168(2) . . ?
Pr1 O7 K1 98.5(7) . . ?
C24 O8 Pr1 89.3(18) . . ?
C1 N1 C5 120.0 . . ?
C1 N1 Cu2 122.6(8) . . ?
C5 N1 Cu2 116.5(9) . . ?
C2 C1 N1 120.0 . . ?
C1 C2 C3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 C6 117.5(14) . . ?
C2 C3 C6 122.5(14) . . ?
C5 C4 C3 120.0 . . ?
C4 C5 N1 120.0 . . ?
O2 C6 O1 124(3) . . ?
O2 C6 C3 121(2) . . ?
O1 C6 C3 116(2) . . ?
O2 C6 Pr1 60.2(15) . . ?
O1 C6 Pr1 63.5(13) . . ?
C3 C6 Pr1 171.5(16) . . ?
C7 N2 C11 120.0 . . ?
C7 N2 Cu4 122.5(9) . 8_565 ?
C11 N2 Cu4 117.1(9) . 8_565 ?
N2 C7 C8 120.0 . . ?
C9 C8 C7 120.0 . . ?
C8 C9 C10 120.0 . . ?
C8 C9 C12 120.3(15) . . ?
C10 C9 C12 119.5(15) . . ?
C11 C10 C9 120.0 . . ?
C10 C11 N2 120.0 . . ?
O4 C12 O3 128(3) . . ?
O4 C12 C9 117(2) . . ?
O3 C12 C9 115(2) . . ?
O4 C12 Pr1 64.6(15) . . ?
O3 C12 Pr1 63.0(14) . . ?
C9 C12 Pr1 171.8(16) . . ?
C13 N3 C17 120.0 . . ?
C13 N3 Cu3 121.2(10) . 1_554 ?
C17 N3 Cu3 117.6(10) . 1_554 ?
N3 C13 C14 120.0 . . ?
C15 C14 C13 120.0 . . ?
C14 C15 C16 120.0 . . ?
C14 C15 C18 118.9(16) . . ?
C16 C15 C18 121.0(16) . . ?
C17 C16 C15 120.0 . . ?
C16 C17 N3 120.0 . . ?
O5 C18 O6 118(2) . . ?
O5 C18 C15 121(2) . . ?
O6 C18 C15 121(2) . . ?
O5 C18 Pr1 58.1(15) . . ?
O6 C18 Pr1 60.1(13) . . ?
C15 C18 Pr1 175(2) . . ?
C19 N4 C23 120.0 . . ?
C19 N4 Cu5 122.1(15) . . ?
C23 N4 Cu5 116.7(16) . . ?
C20 C19 N4 120.0 . . ?
C19 C20 C21 120.0 . . ?
C22 C21 C20 120.0 . . ?
C22 C21 C24 119(2) . . ?
C20 C21 C24 121(2) . . ?
C21 C22 C23 120.0 . . ?
C22 C23 N4 120.0 . . ?
O7 C24 O8 127(3) . . ?
O7 C24 C21 118(3) . . ?
O8 C24 C21 115(3) . . ?
O7 C24 Pr1 62.3(17) . . ?
O8 C24 Pr1 64.5(16) . . ?
C21 C24 Pr1 178(2) . . ?
C27 N5 C25 120.0 . . ?
C27 N5 Cu1 117.2(16) . . ?
C25 N5 Cu1 121.9(16) . . ?
C29 C27 N5 120.0 . . ?
C27 C29 C28 120.0 . . ?
C26 C28 C29 120.0 . . ?
C26 C28 C30 119(3) . . ?
C29 C28 C30 121(3) . . ?
C28 C26 C25 120.0 . . ?
C26 C25 N5 120.0 . . ?
O12 C30 O11 122(2) . . ?
O12 C30 C28 118(3) . . ?
O11 C30 C28 120(3) . . ?
C30 O11 Pr2 151(2) . . ?
C30 O12 Pr2 144(2) . 5_677 ?

_diffrn_measured_fraction_theta_max 0.955
_diffrn_reflns_theta_full        24.00
_diffrn_measured_fraction_theta_full 0.955
_refine_diff_density_max         3.324
_refine_diff_density_min         -1.856
_refine_diff_density_rms         0.316
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_7
_database_code_depnum_ccdc_archive 'CCDC 1419823'
_audit_update_record             
;
2015-08-20 deposited with the CCDC.
2016-09-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            7
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C51 H32 Cs0 Cu8 I8 N10 O31 Pr4'
_chemical_formula_weight         3368.03

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'
Cs Cs -0.3680 2.1192 '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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pbcn

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y, z-1/2'

_cell_length_a                   42.221(5)
_cell_length_b                   30.379(4)
_cell_length_c                   27.178(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     34859(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            YELLOW
_exptl_crystal_size_max          0.065
_exptl_crystal_size_mid          0.063
_exptl_crystal_size_min          0.035
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             12384
_exptl_absorpt_coefficient_mu    3.504
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            198242
_diffrn_reflns_av_R_equivalents  0.0393
_diffrn_reflns_av_sigmaI/netI    0.0408
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         0.83
_diffrn_reflns_theta_max         24.78
_reflns_number_total             29558
_reflns_number_gt                17474
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1118P)²+50.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         29558
_refine_ls_number_parameters     997
_refine_ls_number_restraints     28
_refine_ls_R_factor_all          0.1046
_refine_ls_R_factor_gt           0.0639
_refine_ls_wR_factor_ref         0.2025
_refine_ls_wR_factor_gt          0.1834
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pr1 Pr 0.422492(12) 0.310049(16) 0.47847(2) 0.05787(16) Uani 1 1 d . . .
Pr2 Pr 0.331262(12) 0.281912(16) 0.52319(2) 0.05894(16) Uani 1 1 d . . .
Pr3 Pr 0.325413(17) 0.15736(2) 0.42012(3) 0.0980(3) Uani 1 1 d . . .
Pr4 Pr 0.431616(15) 0.18114(2) 0.38552(3) 0.0825(2) Uani 1 1 d . . .
I1 I 0.163882(18) 0.36845(2) 0.27715(3) 0.0811(2) Uani 1 1 d . . .
I2 I 0.12467(2) 0.37852(3) 0.42761(3) 0.0995(3) Uani 1 1 d . . .
I3 I 0.11033(2) 0.25220(2) 0.34143(3) 0.0907(3) Uani 1 1 d . . .
I4 I 0.057192(18) 0.37123(2) 0.29662(3) 0.0860(2) Uani 1 1 d . . .
I5 I 0.358628(18) 0.29438(2) 0.17154(3) 0.0890(3) Uani 1 1 d . . .
I6 I 0.307658(16) 0.42494(3) 0.18138(3) 0.0857(2) Uani 1 1 d . . .
I7 I 0.126080(18) 0.10578(3) 0.55288(3) 0.0825(2) Uani 1 1 d . . .
I8 I 0.412660(15) 0.42225(2) 0.20285(3) 0.0730(2) Uani 1 1 d . . .
Cu1 Cu 0.14675(4) 0.32430(5) 0.35923(6) 0.0884(4) Uani 1 1 d . . .
Cu2 Cu 0.11394(4) 0.39462(4) 0.33104(6) 0.0881(4) Uani 1 1 d . . .
Cu3 Cu 0.08548(4) 0.32886(5) 0.37163(6) 0.0907(4) Uani 1 1 d . . .
Cu4 Cu 0.10995(3) 0.32262(4) 0.28124(5) 0.0768(4) Uani 1 1 d . . .
Cu5 Cu 0.35732(3) 0.37704(5) 0.20927(5) 0.0809(4) Uani 1 1 d . . .
Cu6 Cu 0.16448(3) 0.13932(5) 0.62050(6) 0.0928(5) Uani 1 1 d . . .
Cu7 Cu 0.36432(3) 0.56495(4) 0.64153(5) 0.0763(4) Uani 1 1 d . . .
Cu8 Cu 0.60426(3) 0.35883(4) 0.36316(5) 0.0750(4) Uani 1 1 d . . .
O1 O 0.2807(2) 0.2050(3) 0.4226(5) 0.157(5) Uani 1 1 d . . .
O2 O 0.2851(2) 0.2582(3) 0.4759(3) 0.110(3) Uani 1 1 d . . .
O3 O 0.3519(3) 0.1155(3) 0.3570(4) 0.140(4) Uani 1 1 d . . .
O4 O 0.4044(2) 0.1225(3) 0.3438(4) 0.128(4) Uani 1 1 d . . .
O5 O 0.46814(18) 0.2608(3) 0.4811(3) 0.088(2) Uani 1 1 d . . .
O6 O 0.4670(3) 0.1910(4) 0.4543(5) 0.168(6) Uani 1 1 d . . .
O7 O 0.38738(16) 0.26575(19) 0.5432(2) 0.0615(16) Uani 1 1 d . . .
O8 O 0.43537(14) 0.2852(2) 0.5661(3) 0.081(2) Uani 1 1 d . . .
O9 O 0.36674(15) 0.31614(18) 0.4565(2) 0.0574(15) Uani 1 1 d . . .
O10 O 0.3165(2) 0.3361(3) 0.4529(3) 0.107(3) Uani 1 1 d . . .
O11 O 0.31435(19) 0.2122(3) 0.5559(3) 0.095(2) Uani 1 1 d . . .
O12 O 0.3096(2) 0.1546(3) 0.5060(4) 0.121(3) Uani 1 1 d . . .
O13 O 0.35086(19) 0.3512(2) 0.5527(3) 0.087(2) Uani 1 1 d . . .
O14 O 0.40119(19) 0.3632(2) 0.5376(3) 0.084(2) Uani 1 1 d . . .
O15 O 0.44424(18) 0.3094(3) 0.3980(3) 0.086(2) Uani 1 1 d . . .
O16 O 0.46044(19) 0.2467(3) 0.3632(3) 0.110(3) Uani 1 1 d . . .
O17 O 0.40337(14) 0.23906(18) 0.4431(2) 0.0601(16) Uani 1 1 d . . .
O18 O 0.37939(18) 0.1777(3) 0.4224(4) 0.115(3) Uani 1 1 d . . .
O19 O 0.35199(16) 0.2267(2) 0.4625(3) 0.0668(18) Uani 1 1 d . . .
O20 O 0.32994(14) 0.2801(3) 0.6115(3) 0.105(3) Uani 1 1 d D . .
O23 O 0.28373(17) 0.3208(2) 0.5538(3) 0.091(2) Uani 1 1 d . . .
O26 O 0.2928(6) 0.0878(5) 0.4312(9) 0.349(16) Uani 1 1 d . . .
O24 O 0.3320(3) 0.2094(4) 0.3526(5) 0.169(5) Uani 1 1 d . . .
O27 O 0.3529(4) 0.0921(5) 0.4609(7) 0.214(7) Uani 1 1 d . . .
O29 O 0.4749(4) 0.1275(5) 0.3750(7) 0.232(7) Uani 1 1 d U . .
O21 O 0.41602(18) 0.3850(3) 0.4349(4) 0.118(3) Uani 1 1 d . . .
O22 O 0.46940(18) 0.3562(2) 0.4995(3) 0.091(2) Uani 1 1 d . . .
O28 O 0.4312(4) 0.1123(4) 0.4430(5) 0.219(7) Uani 1 1 d . . .
O25 O 0.2835(4) 0.1330(7) 0.3610(9) 0.311(14) Uani 1 1 d . . .
O30 O 0.4376(5) 0.1903(6) 0.2923(7) 0.262(8) Uani 1 1 d U . .
O31 O 0.3990(3) 0.2202(3) 0.3206(6) 0.181(6) Uani 1 1 d . . .
N1 N 0.1870(3) 0.2989(3) 0.3840(4) 0.091(3) Uani 1 1 d . . .
N2 N 0.3849(2) -0.0391(3) 0.3299(4) 0.090(3) Uani 1 1 d . . .
N3 N 0.5505(3) 0.1853(3) 0.5816(4) 0.103(3) Uani 1 1 d . . .
N4 N 0.3959(2) 0.2035(3) 0.7141(3) 0.077(3) Uani 1 1 d . . .
N5 N 0.3547(2) 0.3669(3) 0.2820(3) 0.079(3) Uani 1 1 d . . .
N6 N 0.2049(2) 0.1579(3) 0.5887(4) 0.100(3) Uani 1 1 d . . .
N7 N 0.36749(18) 0.5021(3) 0.6185(3) 0.073(2) Uani 1 1 d . . .
N8 N 0.56141(19) 0.3320(3) 0.3748(3) 0.066(2) Uani 1 1 d . . .
N9 N 0.3777(2) 0.2164(4) 0.4422(5) 0.109(4) Uani 1 1 d . . .
N12 N 0.33109(15) 0.2911(3) 0.6975(4) 0.121(4) Uani 1 1 d DU . .
C1 C 0.1994(3) 0.2638(5) 0.3663(5) 0.102(4) Uani 1 1 d . . .
H1A H 0.1889 0.2508 0.3399 0.122 Uiso 1 1 calc R . .
C2 C 0.2268(3) 0.2432(5) 0.3825(5) 0.114(5) Uani 1 1 d . . .
H2A H 0.2343 0.2176 0.3675 0.136 Uiso 1 1 calc R . .
C3 C 0.2421(3) 0.2616(4) 0.4206(5) 0.079(3) Uani 1 1 d . . .
C4 C 0.2298(4) 0.2962(5) 0.4377(7) 0.161(8) Uani 1 1 d . . .
H4A H 0.2408 0.3096 0.4633 0.193 Uiso 1 1 calc R . .
C5 C 0.2021(4) 0.3169(5) 0.4236(7) 0.132(6) Uani 1 1 d . . .
H5A H 0.1942 0.3414 0.4401 0.158 Uiso 1 1 calc R . .
C6 C 0.2711(4) 0.2409(4) 0.4407(5) 0.114(5) Uani 1 1 d . . .
C7 C 0.3571(4) -0.0184(4) 0.3365(8) 0.171(9) Uani 1 1 d . . .
H7A H 0.3387 -0.0351 0.3372 0.205 Uiso 1 1 calc R . .
C8 C 0.3546(4) 0.0271(4) 0.3422(7) 0.137(6) Uani 1 1 d . . .
H8A H 0.3351 0.0405 0.3472 0.164 Uiso 1 1 calc R . .
C9 C 0.3811(3) 0.0508(3) 0.3403(5) 0.088(4) Uani 1 1 d . . .
C10 C 0.4076(4) 0.0315(5) 0.3324(8) 0.168(9) Uani 1 1 d . . .
H10A H 0.4256 0.0486 0.3277 0.202 Uiso 1 1 calc R . .
C11 C 0.4104(4) -0.0141(4) 0.3305(8) 0.152(7) Uani 1 1 d . . .
H11A H 0.4303 -0.0270 0.3296 0.182 Uiso 1 1 calc R . .
C12 C 0.3797(4) 0.1002(5) 0.3480(6) 0.114(5) Uani 1 1 d . . .
C13 C 0.5337(3) 0.2229(5) 0.5883(5) 0.104(4) Uani 1 1 d . . .
H13A H 0.5385 0.2410 0.6149 0.125 Uiso 1 1 calc R . .
C14 C 0.5100(4) 0.2350(4) 0.5572(5) 0.103(4) Uani 1 1 d . . .
H14A H 0.4987 0.2607 0.5635 0.123 Uiso 1 1 calc R . .
C15 C 0.5021(3) 0.2097(4) 0.5162(5) 0.088(3) Uani 1 1 d . . .
C16 C 0.5200(4) 0.1712(6) 0.5108(7) 0.157(8) Uani 1 1 d . . .
H16A H 0.5151 0.1522 0.4850 0.188 Uiso 1 1 calc R . .
C17 C 0.5444(5) 0.1600(6) 0.5417(7) 0.162(8) Uani 1 1 d . . .
H17A H 0.5567 0.1353 0.5353 0.194 Uiso 1 1 calc R . .
C18 C 0.4775(3) 0.2220(5) 0.4798(5) 0.107(4) Uani 1 1 d . . .
C19 C 0.3800(3) 0.1925(3) 0.6751(5) 0.081(3) Uani 1 1 d . . .
H19A H 0.3651 0.1702 0.6786 0.098 Uiso 1 1 calc R . .
C20 C 0.3832(2) 0.2106(3) 0.6293(4) 0.068(3) Uani 1 1 d . . .
H20A H 0.3709 0.2004 0.6033 0.081 Uiso 1 1 calc R . .
C21 C 0.4046(2) 0.2439(3) 0.6221(4) 0.063(3) Uani 1 1 d . . .
C22 C 0.4202(3) 0.2573(5) 0.6641(6) 0.113(5) Uani 1 1 d . . .
H22A H 0.4334 0.2817 0.6625 0.135 Uiso 1 1 calc R . .
C23 C 0.4170(3) 0.2362(5) 0.7078(5) 0.109(5) Uani 1 1 d . . .
H23A H 0.4297 0.2446 0.7341 0.131 Uiso 1 1 calc R . .
C24 C 0.4098(2) 0.2675(3) 0.5742(3) 0.057(2) Uani 1 1 d . . .
C25 C 0.3713(2) 0.3351(4) 0.3056(5) 0.088(4) Uani 1 1 d . . .
H25A H 0.3853 0.3183 0.2869 0.105 Uiso 1 1 calc R . .
C26 C 0.3692(2) 0.3260(3) 0.3538(4) 0.075(3) Uani 1 1 d . . .
H26A H 0.3821 0.3041 0.3670 0.090 Uiso 1 1 calc R . .
C27 C 0.3492(2) 0.3476(3) 0.3835(4) 0.071(3) Uani 1 1 d . . .
C28 C 0.3304(3) 0.3811(4) 0.3613(5) 0.097(4) Uani 1 1 d . . .
H28A H 0.3156 0.3967 0.3797 0.116 Uiso 1 1 calc R . .
C29 C 0.3348(3) 0.3898(4) 0.3118(6) 0.114(5) Uani 1 1 d . . .
H29A H 0.3234 0.4129 0.2981 0.136 Uiso 1 1 calc R . .
C30 C 0.3425(3) 0.3348(3) 0.4340(4) 0.072(3) Uani 1 1 d . . .
C31 C 0.2211(3) 0.1929(4) 0.6043(6) 0.116(5) Uani 1 1 d . . .
H31A H 0.2117 0.2118 0.6269 0.139 Uiso 1 1 calc R . .
C32 C 0.2515(3) 0.2019(4) 0.5880(5) 0.101(4) Uani 1 1 d . . .
H32A H 0.2624 0.2264 0.5994 0.122 Uiso 1 1 calc R . .
C33 C 0.2647(3) 0.1742(4) 0.5555(5) 0.090(4) Uani 1 1 d . . .
C34 C 0.2491(3) 0.1396(4) 0.5387(5) 0.120(6) Uani 1 1 d . . .
H34A H 0.2587 0.1190 0.5183 0.145 Uiso 1 1 calc R . .
C35 C 0.2164(3) 0.1354(5) 0.5534(6) 0.125(5) Uani 1 1 d . . .
H35A H 0.2033 0.1158 0.5367 0.150 Uiso 1 1 calc R . .
C36 C 0.3007(3) 0.1812(5) 0.5366(6) 0.096(4) Uani 1 1 d . . .
C37 C 0.3431(3) 0.4734(4) 0.6215(4) 0.094(4) Uani 1 1 d . . .
H37A H 0.3241 0.4823 0.6356 0.113 Uiso 1 1 calc R . .
C38 C 0.3463(2) 0.4316(3) 0.6041(5) 0.085(4) Uani 1 1 d . . .
H38A H 0.3298 0.4118 0.6086 0.101 Uiso 1 1 calc R . .
C39 C 0.3733(3) 0.4179(3) 0.5801(4) 0.078(3) Uani 1 1 d . . .
C40 C 0.3974(3) 0.4477(4) 0.5771(5) 0.094(4) Uani 1 1 d . . .
H40A H 0.4159 0.4406 0.5605 0.112 Uiso 1 1 calc R . .
C41 C 0.3939(3) 0.4878(3) 0.5986(5) 0.097(4) Uani 1 1 d . . .
H41A H 0.4115 0.5063 0.5993 0.117 Uiso 1 1 calc R . .
C42 C 0.3762(3) 0.3731(3) 0.5547(4) 0.069(3) Uani 1 1 d . . .
C43 C 0.5370(2) 0.3600(3) 0.3873(4) 0.069(3) Uani 1 1 d . . .
H43A H 0.5412 0.3894 0.3940 0.083 Uiso 1 1 calc R . .
C44 C 0.5056(2) 0.3441(3) 0.3898(4) 0.070(3) Uani 1 1 d . . .
H44A H 0.4892 0.3630 0.3988 0.084 Uiso 1 1 calc R . .
C45 C 0.4990(3) 0.3004(3) 0.3788(4) 0.074(3) Uani 1 1 d . . .
C46 C 0.5247(3) 0.2736(3) 0.3673(5) 0.097(4) Uani 1 1 d . . .
H46A H 0.5216 0.2444 0.3582 0.116 Uiso 1 1 calc R . .
C47 C 0.5535(3) 0.2902(4) 0.3694(5) 0.104(4) Uani 1 1 d . . .
H47A H 0.5701 0.2702 0.3667 0.125 Uiso 1 1 calc R . .
C48 C 0.4651(3) 0.2845(5) 0.3804(4) 0.090(4) Uani 1 1 d . . .
C49 C 0.3364(3) 0.2970(5) 0.6463(4) 0.236(8) Uani 1 1 d D . .
H49A H 0.3486 0.3219 0.6403 0.284 Uiso 1 1 calc R . .
C50 C 0.3131(3) 0.2553(5) 0.7173(7) 0.236(8) Uani 1 1 d D . .
H50A H 0.3046 0.2380 0.6909 0.355 Uiso 1 1 calc R . .
H50B H 0.2960 0.2668 0.7369 0.355 Uiso 1 1 calc R . .
H50C H 0.3265 0.2373 0.7375 0.355 Uiso 1 1 calc R . .
C51 C 0.3451(3) 0.3237(5) 0.7317(6) 0.236(8) Uani 1 1 d D . .
H51A H 0.3571 0.3448 0.7133 0.355 Uiso 1 1 calc R . .
H51B H 0.3587 0.3089 0.7547 0.355 Uiso 1 1 calc R . .
H51C H 0.3284 0.3385 0.7492 0.355 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pr1 O15 2.371(8) . ?
Pr1 O9 2.436(6) . ?
Pr1 O5 2.440(7) . ?
Pr1 O14 2.450(7) . ?
Pr1 O22 2.493(7) . ?
Pr1 O17 2.495(6) . ?
Pr1 O8 2.557(8) . ?
Pr1 O21 2.580(9) . ?
Pr1 O7 2.664(6) . ?
Pr1 C24 2.955(8) . ?
Pr1 Pr2 4.1284(9) . ?
Pr2 O13 2.400(7) . ?
Pr2 O11 2.404(7) . ?
Pr2 O20 2.400(9) . ?
Pr2 O2 2.442(9) . ?
Pr2 O23 2.473(7) . ?
Pr2 O7 2.480(7) . ?
Pr2 O19 2.511(6) . ?
Pr2 O9 2.572(6) . ?
Pr2 O10 2.598(8) . ?
Pr2 C30 2.948(8) . ?
Pr3 O18 2.362(8) . ?
Pr3 O1 2.377(9) . ?
Pr3 O3 2.410(10) . ?
Pr3 O12 2.428(11) . ?
Pr3 O24 2.437(15) . ?
Pr3 O25 2.501(14) . ?
Pr3 O26 2.539(11) . ?
Pr3 O27 2.553(14) . ?
Pr3 O19 2.649(6) . ?
Pr3 N9 2.907(11) . ?
Pr4 O4 2.404(9) . ?
Pr4 O16 2.411(8) . ?
Pr4 O6 2.410(11) . ?
Pr4 O18 2.424(8) . ?
Pr4 O29 2.466(13) . ?
Pr4 O31 2.533(10) . ?
Pr4 O30 2.561(19) . ?
Pr4 O28 2.611(11) . ?
Pr4 O17 2.640(5) . ?
Pr4 N9 2.949(12) . ?
I1 Cu4 2.6712(15) . ?
I1 Cu2 2.6877(17) . ?
I1 Cu1 2.7015(18) . ?
I2 Cu1 2.6527(17) . ?
I2 Cu3 2.7071(18) . ?
I2 Cu2 2.7080(19) . ?
I3 Cu3 2.6831(17) . ?
I3 Cu4 2.6931(16) . ?
I3 Cu1 2.7195(17) . ?
I4 Cu2 2.6682(17) . ?
I4 Cu3 2.6905(18) . ?
I4 Cu4 2.7052(16) . ?
I5 Cu6 2.6331(16) 2_554 ?
I5 Cu8 2.6791(15) 4_655 ?
I5 Cu5 2.7128(17) . ?
I6 Cu7 2.6438(14) 8_565 ?
I6 Cu5 2.6625(14) . ?
I6 Cu6 2.8163(19) 2_554 ?
I7 Cu6 2.6542(16) . ?
I7 Cu8 2.6856(16) 3_456 ?
I7 Cu7 2.7402(17) 7_655 ?
I8 Cu7 2.6636(15) 8_565 ?
I8 Cu5 2.7159(15) . ?
I8 Cu8 2.7276(16) 4_655 ?
Cu1 N1 1.983(11) . ?
Cu1 Cu3 2.613(2) . ?
Cu1 Cu4 2.629(2) . ?
Cu1 Cu2 2.659(2) . ?
Cu2 N2 2.015(9) 7_665 ?
Cu2 Cu4 2.5777(18) . ?
Cu2 Cu3 2.579(2) . ?
Cu3 N3 1.996(10) 3_456 ?
Cu3 Cu4 2.672(2) . ?
Cu4 N4 2.005(9) 2_554 ?
Cu5 N5 2.002(9) . ?
Cu5 Cu7 2.5657(18) 8_565 ?
Cu5 Cu8 2.6101(19) 4_655 ?
Cu5 Cu6 2.630(2) 2_554 ?
Cu6 N6 1.995(10) . ?
Cu6 Cu8 2.5820(18) 3_456 ?
Cu6 Cu7 2.6286(19) 7_655 ?
Cu6 Cu5 2.630(2) 2 ?
Cu6 I5 2.6331(17) 2 ?
Cu6 I6 2.8163(19) 2 ?
Cu7 N7 2.015(7) . ?
Cu7 Cu5 2.5657(18) 8_566 ?
Cu7 Cu6 2.6286(19) 7_665 ?
Cu7 I6 2.6438(14) 8_566 ?
Cu7 I8 2.6636(15) 8_566 ?
Cu7 Cu8 2.6719(18) 5_666 ?
Cu7 I7 2.7402(17) 7_665 ?
Cu8 N8 2.009(8) . ?
Cu8 Cu6 2.5820(18) 3_556 ?
Cu8 Cu5 2.6101(19) 4_655 ?
Cu8 Cu7 2.6719(18) 5_666 ?
Cu8 I5 2.6791(15) 4_655 ?
Cu8 I7 2.6856(16) 3_556 ?
Cu8 I8 2.7276(16) 4_655 ?
O1 C6 1.265(14) . ?
O2 C6 1.243(15) . ?
O3 C12 1.286(15) . ?
O4 C12 1.250(15) . ?
O5 C18 1.244(15) . ?
O6 C18 1.253(16) . ?
O7 C24 1.269(11) . ?
O8 C24 1.227(11) . ?
O9 C30 1.320(12) . ?
O10 C30 1.213(12) . ?
O11 C36 1.221(15) . ?
O12 C36 1.221(15) . ?
O13 C42 1.260(12) . ?
O14 C42 1.191(12) . ?
O15 C48 1.256(15) . ?
O16 C48 1.256(14) . ?
O17 N9 1.284(11) . ?
O18 N9 1.293(13) . ?
O19 N9 1.258(12) . ?
O20 C49 1.111(9) . ?
N1 C1 1.283(15) . ?
N1 C5 1.365(16) . ?
N2 C11 1.319(15) . ?
N2 C7 1.341(16) . ?
N2 Cu2 2.015(9) 7_655 ?
N3 C17 1.354(18) . ?
N3 C13 1.357(15) . ?
N3 Cu3 1.996(10) 3_556 ?
N4 C19 1.298(14) . ?
N4 C23 1.345(14) . ?
N4 Cu4 2.005(9) 2 ?
N5 C25 1.354(12) . ?
N5 C29 1.361(15) . ?
N6 C35 1.274(16) . ?
N6 C31 1.332(13) . ?
N7 C41 1.314(12) . ?
N7 C37 1.350(13) . ?
N8 C47 1.321(14) . ?
N8 C43 1.379(12) . ?
N12 C49 1.421(9) . ?
N12 C50 1.431(9) . ?
N12 C51 1.481(9) . ?
C1 C2 1.387(17) . ?
C1 H1A 0.9300 . ?
C2 C3 1.343(15) . ?
C2 H2A 0.9300 . ?
C3 C4 1.261(18) . ?
C3 C6 1.481(19) . ?
C4 C5 1.383(19) . ?
C4 H4A 0.9300 . ?
C5 H5A 0.9300 . ?
C7 C8 1.395(17) . ?
C7 H7A 0.9300 . ?
C8 C9 1.331(17) . ?
C8 H8A 0.9300 . ?
C9 C10 1.279(18) . ?
C9 C12 1.517(17) . ?
C10 C11 1.390(19) . ?
C10 H10A 0.9300 . ?
C11 H11A 0.9300 . ?
C13 C14 1.360(17) . ?
C13 H13A 0.9300 . ?
C14 C15 1.394(16) . ?
C14 H14A 0.9300 . ?
C15 C16 1.400(17) . ?
C15 C18 1.483(17) . ?
C16 C17 1.37(2) . ?
C16 H16A 0.9300 . ?
C17 H17A 0.9300 . ?
C19 C20 1.366(14) . ?
C19 H19A 0.9300 . ?
C20 C21 1.374(12) . ?
C20 H20A 0.9300 . ?
C21 C22 1.379(16) . ?
C21 C24 1.500(13) . ?
C22 C23 1.355(17) . ?
C22 H22A 0.9300 . ?
C23 H23A 0.9300 . ?
C25 C26 1.343(15) . ?
C25 H25A 0.9300 . ?
C26 C27 1.339(13) . ?
C26 H26A 0.9300 . ?
C27 C28 1.425(13) . ?
C27 C30 1.453(14) . ?
C28 C29 1.384(17) . ?
C28 H28A 0.9300 . ?
C29 H29A 0.9300 . ?
C31 C32 1.383(16) . ?
C31 H31A 0.9300 . ?
C32 C33 1.341(16) . ?
C32 H32A 0.9300 . ?
C33 C34 1.322(15) . ?
C33 C36 1.622(17) . ?
C34 C35 1.444(17) . ?
C34 H34A 0.9300 . ?
C35 H35A 0.9300 . ?
C37 C38 1.361(14) . ?
C37 H37A 0.9300 . ?
C38 C39 1.378(15) . ?
C38 H38A 0.9300 . ?
C39 C40 1.364(14) . ?
C39 C42 1.534(14) . ?
C40 C41 1.359(14) . ?
C40 H40A 0.9300 . ?
C41 H41A 0.9300 . ?
C43 C44 1.415(13) . ?
C43 H43A 0.9300 . ?
C44 C45 1.389(13) . ?
C44 H44A 0.9300 . ?
C45 C46 1.393(16) . ?
C45 C48 1.514(15) . ?
C46 C47 1.317(17) . ?
C46 H46A 0.9300 . ?
C47 H47A 0.9300 . ?
C49 H49A 0.9300 . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?

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
_geom_angle_publ_flag
O15 Pr1 O9 98.5(2) . . ?
O15 Pr1 O5 73.5(3) . . ?
O9 Pr1 O5 144.8(2) . . ?
O15 Pr1 O14 138.8(3) . . ?
O9 Pr1 O14 75.9(2) . . ?
O5 Pr1 O14 132.4(3) . . ?
O15 Pr1 O22 84.7(3) . . ?
O9 Pr1 O22 141.4(2) . . ?
O5 Pr1 O22 73.2(3) . . ?
O14 Pr1 O22 76.7(3) . . ?
O15 Pr1 O17 76.3(2) . . ?
O9 Pr1 O17 70.02(19) . . ?
O5 Pr1 O17 74.8(2) . . ?
O14 Pr1 O17 134.7(2) . . ?
O22 Pr1 O17 146.2(2) . . ?
O15 Pr1 O8 140.7(3) . . ?
O9 Pr1 O8 117.2(2) . . ?
O5 Pr1 O8 67.9(2) . . ?
O14 Pr1 O8 70.3(3) . . ?
O22 Pr1 O8 77.5(2) . . ?
O17 Pr1 O8 99.9(2) . . ?
O15 Pr1 O21 68.0(3) . . ?
O9 Pr1 O21 73.6(2) . . ?
O5 Pr1 O21 129.6(3) . . ?
O14 Pr1 O21 71.3(3) . . ?
O22 Pr1 O21 72.1(2) . . ?
O17 Pr1 O21 123.5(3) . . ?
O8 Pr1 O21 135.3(3) . . ?
O15 Pr1 O7 145.0(2) . . ?
O9 Pr1 O7 70.3(2) . . ?
O5 Pr1 O7 96.4(2) . . ?
O14 Pr1 O7 72.3(2) . . ?
O22 Pr1 O7 125.1(2) . . ?
O17 Pr1 O7 68.75(19) . . ?
O8 Pr1 O7 49.80(19) . . ?
O21 Pr1 O7 133.6(2) . . ?
O15 Pr1 C24 151.5(3) . . ?
O9 Pr1 C24 94.2(3) . . ?
O5 Pr1 C24 81.3(3) . . ?
O14 Pr1 C24 69.2(3) . . ?
O22 Pr1 C24 100.9(3) . . ?
O17 Pr1 C24 84.4(2) . . ?
O8 Pr1 C24 24.4(2) . . ?
O21 Pr1 C24 140.4(3) . . ?
O7 Pr1 C24 25.4(2) . . ?
O15 Pr1 Pr2 129.13(18) . . ?
O9 Pr1 Pr2 35.56(14) . . ?
O5 Pr1 Pr2 126.97(19) . . ?
O14 Pr1 Pr2 66.48(18) . . ?
O22 Pr1 Pr2 142.19(19) . . ?
O17 Pr1 Pr2 68.44(13) . . ?
O8 Pr1 Pr2 82.13(13) . . ?
O21 Pr1 Pr2 102.64(18) . . ?
O7 Pr1 Pr2 35.12(15) . . ?
C24 Pr1 Pr2 58.7(2) . . ?
O13 Pr2 O11 138.7(3) . . ?
O13 Pr2 O20 72.2(3) . . ?
O11 Pr2 O20 66.6(3) . . ?
O13 Pr2 O2 135.2(3) . . ?
O11 Pr2 O2 72.4(3) . . ?
O20 Pr2 O2 120.0(3) . . ?
O13 Pr2 O23 75.4(3) . . ?
O11 Pr2 O23 93.2(3) . . ?
O20 Pr2 O23 69.9(2) . . ?
O2 Pr2 O23 70.8(3) . . ?
O13 Pr2 O7 76.8(2) . . ?
O11 Pr2 O7 91.6(2) . . ?
O20 Pr2 O7 78.41(19) . . ?
O2 Pr2 O7 145.0(2) . . ?
O23 Pr2 O7 142.8(2) . . ?
O13 Pr2 O19 133.3(2) . . ?
O11 Pr2 O19 76.0(3) . . ?
O20 Pr2 O19 130.5(2) . . ?
O2 Pr2 O19 74.6(3) . . ?
O23 Pr2 O19 145.4(2) . . ?
O7 Pr2 O19 71.2(2) . . ?
O13 Pr2 O9 71.3(2) . . ?
O11 Pr2 O9 142.2(3) . . ?
O20 Pr2 O9 136.7(2) . . ?
O2 Pr2 O9 102.3(3) . . ?
O23 Pr2 O9 121.1(2) . . ?
O7 Pr2 O9 71.20(19) . . ?
O19 Pr2 O9 66.67(19) . . ?
O13 Pr2 O10 76.8(3) . . ?
O11 Pr2 O10 139.4(3) . . ?
O20 Pr2 O10 138.0(3) . . ?
O2 Pr2 O10 67.0(3) . . ?
O23 Pr2 O10 75.5(3) . . ?
O7 Pr2 O10 121.0(2) . . ?
O19 Pr2 O10 91.4(3) . . ?
O9 Pr2 O10 50.6(2) . . ?
O13 Pr2 C30 75.0(3) . . ?
O11 Pr2 C30 146.3(3) . . ?
O20 Pr2 C30 147.0(3) . . ?
O2 Pr2 C30 81.7(3) . . ?
O23 Pr2 C30 98.4(3) . . ?
O7 Pr2 C30 97.7(3) . . ?
O19 Pr2 C30 76.6(3) . . ?
O9 Pr2 C30 26.6(3) . . ?
O10 Pr2 C30 24.2(3) . . ?
O13 Pr2 Pr1 66.10(18) . . ?
O11 Pr2 Pr1 124.6(2) . . ?
O20 Pr2 Pr1 108.70(15) . . ?
O2 Pr2 Pr1 130.6(2) . . ?
O23 Pr2 Pr1 139.23(19) . . ?
O7 Pr2 Pr1 38.18(13) . . ?
O19 Pr2 Pr1 67.66(14) . . ?
O9 Pr2 Pr1 33.41(13) . . ?
O10 Pr2 Pr1 82.87(19) . . ?
C30 Pr2 Pr1 59.6(3) . . ?
O18 Pr3 O1 127.3(3) . . ?
O18 Pr3 O3 73.1(3) . . ?
O1 Pr3 O3 135.2(4) . . ?
O18 Pr3 O12 104.4(3) . . ?
O1 Pr3 O12 77.1(4) . . ?
O3 Pr3 O12 142.4(4) . . ?
O18 Pr3 O24 74.9(4) . . ?
O1 Pr3 O24 73.6(4) . . ?
O3 Pr3 O24 75.7(4) . . ?
O12 Pr3 O24 141.0(3) . . ?
O18 Pr3 O25 140.9(6) . . ?
O1 Pr3 O25 68.7(4) . . ?
O3 Pr3 O25 73.4(5) . . ?
O12 Pr3 O25 114.4(7) . . ?
O24 Pr3 O25 77.8(7) . . ?
O18 Pr3 O26 137.5(7) . . ?
O1 Pr3 O26 94.2(7) . . ?
O3 Pr3 O26 84.1(4) . . ?
O12 Pr3 O26 73.0(5) . . ?
O24 Pr3 O26 133.7(7) . . ?
O25 Pr3 O26 56.4(8) . . ?
O18 Pr3 O27 75.7(4) . . ?
O1 Pr3 O27 145.3(5) . . ?
O3 Pr3 O27 71.8(5) . . ?
O12 Pr3 O27 71.4(4) . . ?
O24 Pr3 O27 141.1(4) . . ?
O25 Pr3 O27 111.8(7) . . ?
O26 Pr3 O27 63.2(8) . . ?
O18 Pr3 O19 51.1(2) . . ?
O1 Pr3 O19 80.8(3) . . ?
O3 Pr3 O19 122.2(3) . . ?
O12 Pr3 O19 74.1(2) . . ?
O24 Pr3 O19 76.3(3) . . ?
O25 Pr3 O19 144.5(5) . . ?
O26 Pr3 O19 147.1(5) . . ?
O27 Pr3 O19 103.6(4) . . ?
O18 Pr3 N9 25.9(3) . . ?
O1 Pr3 N9 102.8(3) . . ?
O3 Pr3 N9 96.9(4) . . ?
O12 Pr3 N9 91.8(3) . . ?
O24 Pr3 N9 70.6(3) . . ?
O25 Pr3 N9 148.4(7) . . ?
O26 Pr3 N9 154.2(8) . . ?
O27 Pr3 N9 92.5(4) . . ?
O19 Pr3 N9 25.6(3) . . ?
O4 Pr4 O16 137.2(3) . . ?
O4 Pr4 O6 138.9(4) . . ?
O16 Pr4 O6 77.3(4) . . ?
O4 Pr4 O18 74.2(3) . . ?
O16 Pr4 O18 126.8(3) . . ?
O6 Pr4 O18 104.4(4) . . ?
O4 Pr4 O29 79.1(5) . . ?
O16 Pr4 O29 98.1(5) . . ?
O6 Pr4 O29 73.3(5) . . ?
O18 Pr4 O29 134.0(5) . . ?
O4 Pr4 O31 76.0(3) . . ?
O16 Pr4 O31 73.3(3) . . ?
O6 Pr4 O31 145.0(4) . . ?
O18 Pr4 O31 79.2(4) . . ?
O29 Pr4 O31 129.2(6) . . ?
O4 Pr4 O30 70.2(5) . . ?
O16 Pr4 O30 67.1(4) . . ?
O6 Pr4 O30 133.8(6) . . ?
O18 Pr4 O30 120.2(5) . . ?
O29 Pr4 O30 83.3(7) . . ?
O31 Pr4 O30 46.7(6) . . ?
O4 Pr4 O28 71.7(4) . . ?
O16 Pr4 O28 144.6(4) . . ?
O6 Pr4 O28 68.9(5) . . ?
O18 Pr4 O28 73.3(5) . . ?
O29 Pr4 O28 62.9(6) . . ?
O31 Pr4 O28 142.0(4) . . ?
O30 Pr4 O28 132.8(6) . . ?
O4 Pr4 O17 123.9(3) . . ?
O16 Pr4 O17 80.0(2) . . ?
O6 Pr4 O17 74.8(3) . . ?
O18 Pr4 O17 51.1(2) . . ?
O29 Pr4 O17 147.6(4) . . ?
O31 Pr4 O17 81.7(4) . . ?
O30 Pr4 O17 124.0(5) . . ?
O28 Pr4 O17 100.2(4) . . ?
O4 Pr4 N9 98.4(3) . . ?
O16 Pr4 N9 102.8(3) . . ?
O6 Pr4 N9 91.6(4) . . ?
O18 Pr4 N9 25.5(2) . . ?
O29 Pr4 N9 150.8(5) . . ?
O31 Pr4 N9 76.9(4) . . ?
O30 Pr4 N9 123.6(6) . . ?
O28 Pr4 N9 88.5(5) . . ?
O17 Pr4 N9 25.8(2) . . ?
Cu4 I1 Cu2 57.50(4) . . ?
Cu4 I1 Cu1 58.58(5) . . ?
Cu2 I1 Cu1 59.13(5) . . ?
Cu1 I2 Cu3 58.34(5) . . ?
Cu1 I2 Cu2 59.46(5) . . ?
Cu3 I2 Cu2 56.88(5) . . ?
Cu3 I3 Cu4 59.60(5) . . ?
Cu3 I3 Cu1 57.84(5) . . ?
Cu4 I3 Cu1 58.11(4) . . ?
Cu2 I4 Cu3 57.53(5) . . ?
Cu2 I4 Cu4 57.33(4) . . ?
Cu3 I4 Cu4 59.36(5) . . ?
Cu6 I5 Cu8 58.16(4) 2_554 4_655 ?
Cu6 I5 Cu5 58.91(5) 2_554 . ?
Cu8 I5 Cu5 57.90(4) 4_655 . ?
Cu7 I6 Cu5 57.83(4) 8_565 . ?
Cu7 I6 Cu6 57.45(4) 8_565 2_554 ?
Cu5 I6 Cu6 57.29(5) . 2_554 ?
Cu6 I7 Cu8 57.83(4) . 3_456 ?
Cu6 I7 Cu7 58.30(5) . 7_655 ?
Cu8 I7 Cu7 58.99(4) 3_456 7_655 ?
Cu7 I8 Cu5 56.96(4) 8_565 . ?
Cu7 I8 Cu8 59.41(4) 8_565 4_655 ?
Cu5 I8 Cu8 57.31(4) . 4_655 ?
N1 Cu1 Cu3 145.6(3) . . ?
N1 Cu1 Cu4 140.6(3) . . ?
Cu3 Cu1 Cu4 61.30(6) . . ?
N1 Cu1 I2 107.7(3) . . ?
Cu3 Cu1 I2 61.87(5) . . ?
Cu4 Cu1 I2 111.67(6) . . ?
N1 Cu1 Cu2 148.9(3) . . ?
Cu3 Cu1 Cu2 58.57(5) . . ?
Cu4 Cu1 Cu2 58.35(5) . . ?
I2 Cu1 Cu2 61.30(5) . . ?
N1 Cu1 I1 104.1(3) . . ?
Cu3 Cu1 I1 110.20(6) . . ?
Cu4 Cu1 I1 60.14(5) . . ?
I2 Cu1 I1 111.36(6) . . ?
Cu2 Cu1 I1 60.18(5) . . ?
N1 Cu1 I3 103.4(3) . . ?
Cu3 Cu1 I3 60.38(5) . . ?
Cu4 Cu1 I3 60.44(5) . . ?
I2 Cu1 I3 115.21(6) . . ?
Cu2 Cu1 I3 107.53(6) . . ?
I1 Cu1 I3 113.85(6) . . ?
N2 Cu2 Cu4 147.3(3) 7_665 . ?
N2 Cu2 Cu3 142.4(3) 7_665 . ?
Cu4 Cu2 Cu3 62.42(5) . . ?
N2 Cu2 Cu1 142.6(3) 7_665 . ?
Cu4 Cu2 Cu1 60.23(5) . . ?
Cu3 Cu2 Cu1 59.82(6) . . ?
N2 Cu2 I4 106.5(3) 7_665 . ?
Cu4 Cu2 I4 62.06(5) . . ?
Cu3 Cu2 I4 61.67(5) . . ?
Cu1 Cu2 I4 110.79(6) . . ?
N2 Cu2 I1 105.5(3) 7_665 . ?
Cu4 Cu2 I1 60.93(5) . . ?
Cu3 Cu2 I1 111.69(6) . . ?
Cu1 Cu2 I1 60.69(5) . . ?
I4 Cu2 I1 115.77(6) . . ?
N2 Cu2 I2 101.0(3) 7_665 . ?
Cu4 Cu2 I2 111.50(6) . . ?
Cu3 Cu2 I2 61.54(5) . . ?
Cu1 Cu2 I2 59.23(5) . . ?
I4 Cu2 I2 116.23(6) . . ?
I1 Cu2 I2 110.08(6) . . ?
N3 Cu3 Cu2 141.7(3) 3_456 . ?
N3 Cu3 Cu1 143.5(4) 3_456 . ?
Cu2 Cu3 Cu1 61.61(6) . . ?
N3 Cu3 Cu4 148.9(4) 3_456 . ?
Cu2 Cu3 Cu4 58.77(5) . . ?
Cu1 Cu3 Cu4 59.64(5) . . ?
N3 Cu3 I3 107.3(3) 3_456 . ?
Cu2 Cu3 I3 111.05(7) . . ?
Cu1 Cu3 I3 61.78(5) . . ?
Cu4 Cu3 I3 60.39(5) . . ?
N3 Cu3 I4 104.9(4) 3_456 . ?
Cu2 Cu3 I4 60.80(5) . . ?
Cu1 Cu3 I4 111.54(6) . . ?
Cu4 Cu3 I4 60.59(5) . . ?
I3 Cu3 I4 110.92(6) . . ?
N3 Cu3 I2 102.4(4) 3_456 . ?
Cu2 Cu3 I2 61.58(5) . . ?
Cu1 Cu3 I2 59.79(5) . . ?
Cu4 Cu3 I2 108.66(6) . . ?
I3 Cu3 I2 114.62(6) . . ?
I4 Cu3 I2 115.51(6) . . ?
N4 Cu4 Cu2 145.2(3) 2_554 . ?
N4 Cu4 Cu1 144.5(3) 2_554 . ?
Cu2 Cu4 Cu1 61.42(6) . . ?
N4 Cu4 I1 105.9(3) 2_554 . ?
Cu2 Cu4 I1 61.57(5) . . ?
Cu1 Cu4 I1 61.29(5) . . ?
N4 Cu4 Cu3 144.8(3) 2_554 . ?
Cu2 Cu4 Cu3 58.82(5) . . ?
Cu1 Cu4 Cu3 59.06(6) . . ?
I1 Cu4 Cu3 109.32(6) . . ?
N4 Cu4 I3 103.8(3) 2_554 . ?
Cu2 Cu4 I3 110.78(6) . . ?
Cu1 Cu4 I3 61.45(5) . . ?
I1 Cu4 I3 115.74(6) . . ?
Cu3 Cu4 I3 60.01(5) . . ?
N4 Cu4 I4 104.8(3) 2_554 . ?
Cu2 Cu4 I4 60.62(5) . . ?
Cu1 Cu4 I4 110.58(6) . . ?
I1 Cu4 I4 115.08(5) . . ?
Cu3 Cu4 I4 60.05(5) . . ?
I3 Cu4 I4 110.16(5) . . ?
N5 Cu5 Cu7 145.1(3) . 8_565 ?
N5 Cu5 Cu8 138.2(2) . 4_655 ?
Cu7 Cu5 Cu8 62.15(5) 8_565 4_655 ?
N5 Cu5 Cu6 149.0(3) . 2_554 ?
Cu7 Cu5 Cu6 60.77(5) 8_565 2_554 ?
Cu8 Cu5 Cu6 59.04(6) 4_655 2_554 ?
N5 Cu5 I6 108.8(2) . . ?
Cu7 Cu5 I6 60.72(4) 8_565 . ?
Cu8 Cu5 I6 112.99(6) 4_655 . ?
Cu6 Cu5 I6 64.30(5) 2_554 . ?
N5 Cu5 I5 103.4(2) . . ?
Cu7 Cu5 I5 111.24(7) 8_565 . ?
Cu8 Cu5 I5 60.40(5) 4_655 . ?
Cu6 Cu5 I5 59.03(5) 2_554 . ?
I6 Cu5 I5 114.47(6) . . ?
N5 Cu5 I8 100.8(3) . . ?
Cu7 Cu5 I8 60.49(4) 8_565 . ?
Cu8 Cu5 I8 61.57(4) 4_655 . ?
Cu6 Cu5 I8 109.74(6) 2_554 . ?
I6 Cu5 I8 112.51(5) . . ?
I5 Cu5 I8 115.23(5) . . ?
N6 Cu6 Cu8 155.6(4) . 3_456 ?
N6 Cu6 Cu7 137.2(3) . 7_655 ?
Cu8 Cu6 Cu7 61.69(5) 3_456 7_655 ?
N6 Cu6 Cu5 138.6(3) . 2 ?
Cu8 Cu6 Cu5 60.10(5) 3_456 2 ?
Cu7 Cu6 Cu5 58.41(5) 7_655 2 ?
N6 Cu6 I5 109.2(3) . 2 ?
Cu8 Cu6 I5 61.82(5) 3_456 2 ?
Cu7 Cu6 I5 111.80(6) 7_655 2 ?
Cu5 Cu6 I5 62.06(5) 2 2 ?
N6 Cu6 I7 109.4(3) . . ?
Cu8 Cu6 I7 61.70(5) 3_456 . ?
Cu7 Cu6 I7 62.49(5) 7_655 . ?
Cu5 Cu6 I7 110.42(6) 2 . ?
I5 Cu6 I7 115.59(6) 2 . ?
N6 Cu6 I6 95.4(4) . 2 ?
Cu8 Cu6 I6 108.99(6) 3_456 2 ?
Cu7 Cu6 I6 57.97(5) 7_655 2 ?
Cu5 Cu6 I6 58.41(5) 2 2 ?
I5 Cu6 I6 112.05(6) 2 2 ?
I7 Cu6 I6 113.32(6) . 2 ?
N7 Cu7 Cu5 151.9(3) . 8_566 ?
N7 Cu7 Cu6 141.1(3) . 7_665 ?
Cu5 Cu7 Cu6 60.82(6) 8_566 7_665 ?
N7 Cu7 I6 107.3(2) . 8_566 ?
Cu5 Cu7 I6 61.45(4) 8_566 8_566 ?
Cu6 Cu7 I6 64.57(5) 7_665 8_566 ?
N7 Cu7 I8 106.4(3) . 8_566 ?
Cu5 Cu7 I8 62.54(5) 8_566 8_566 ?
Cu6 Cu7 I8 111.41(6) 7_665 8_566 ?
I6 Cu7 I8 114.84(6) 8_566 8_566 ?
N7 Cu7 Cu8 140.7(2) . 5_666 ?
Cu5 Cu7 Cu8 59.74(5) 8_566 5_666 ?
Cu6 Cu7 Cu8 58.30(5) 7_665 5_666 ?
I6 Cu7 Cu8 111.60(5) 8_566 5_666 ?
I8 Cu7 Cu8 61.49(4) 8_566 5_666 ?
N7 Cu7 I7 98.4(3) . 7_665 ?
Cu5 Cu7 I7 109.69(6) 8_566 7_665 ?
Cu6 Cu7 I7 59.21(5) 7_665 7_665 ?
I6 Cu7 I7 116.20(6) 8_566 7_665 ?
I8 Cu7 I7 111.75(5) 8_566 7_665 ?
Cu8 Cu7 I7 59.48(5) 5_666 7_665 ?
N8 Cu8 Cu6 150.3(2) . 3_556 ?
N8 Cu8 Cu5 139.8(2) . 4_655 ?
Cu6 Cu8 Cu5 60.86(6) 3_556 4_655 ?
N8 Cu8 Cu7 143.7(2) . 5_666 ?
Cu6 Cu8 Cu7 60.01(5) 3_556 5_666 ?
Cu5 Cu8 Cu7 58.11(5) 4_655 5_666 ?
N8 Cu8 I5 106.6(2) . 4_655 ?
Cu6 Cu8 I5 60.03(4) 3_556 4_655 ?
Cu5 Cu8 I5 61.70(5) 4_655 4_655 ?
Cu7 Cu8 I5 109.03(5) 5_666 4_655 ?
N8 Cu8 I7 109.7(2) . 3_556 ?
Cu6 Cu8 I7 60.47(5) 3_556 3_556 ?
Cu5 Cu8 I7 110.04(6) 4_655 3_556 ?
Cu7 Cu8 I7 61.52(5) 5_666 3_556 ?
I5 Cu8 I7 113.01(5) 4_655 3_556 ?
N8 Cu8 I8 98.9(2) . 4_655 ?
Cu6 Cu8 I8 110.83(6) 3_556 4_655 ?
Cu5 Cu8 I8 61.12(5) 4_655 4_655 ?
Cu7 Cu8 I8 59.11(4) 5_666 4_655 ?
I5 Cu8 I8 115.96(6) 4_655 4_655 ?
I7 Cu8 I8 111.46(5) 3_556 4_655 ?
C6 O1 Pr3 142.3(11) . . ?
C6 O2 Pr2 155.6(10) . . ?
C12 O3 Pr3 138.6(10) . . ?
C12 O4 Pr4 139.3(9) . . ?
C18 O5 Pr1 146.2(9) . . ?
C18 O6 Pr4 138.0(10) . . ?
C24 O7 Pr2 148.2(6) . . ?
C24 O7 Pr1 90.2(5) . . ?
Pr2 O7 Pr1 106.7(2) . . ?
C24 O8 Pr1 96.3(6) . . ?
C30 O9 Pr1 153.6(6) . . ?
C30 O9 Pr2 92.8(5) . . ?
Pr1 O9 Pr2 111.0(2) . . ?
C30 O10 Pr2 94.3(6) . . ?
C36 O11 Pr2 131.2(9) . . ?
C36 O12 Pr3 135.8(9) . . ?
C42 O13 Pr2 140.3(7) . . ?
C42 O14 Pr1 138.3(7) . . ?
C48 O15 Pr1 128.9(8) . . ?
C48 O16 Pr4 137.7(7) . . ?
N9 O17 Pr1 138.1(7) . . ?
N9 O17 Pr4 90.6(7) . . ?
Pr1 O17 Pr4 131.2(2) . . ?
N9 O18 Pr3 101.3(6) . . ?
N9 O18 Pr4 100.5(6) . . ?
Pr3 O18 Pr4 151.4(4) . . ?
N9 O19 Pr2 139.1(7) . . ?
N9 O19 Pr3 88.7(7) . . ?
Pr2 O19 Pr3 132.0(3) . . ?
C49 O20 Pr2 146.7(11) . . ?
C1 N1 C5 116.0(12) . . ?
C1 N1 Cu1 123.1(9) . . ?
C5 N1 Cu1 120.8(9) . . ?
C11 N2 C7 116.2(11) . . ?
C11 N2 Cu2 123.7(9) . 7_655 ?
C7 N2 Cu2 119.3(9) . 7_655 ?
C17 N3 C13 119.2(12) . . ?
C17 N3 Cu3 121.8(10) . 3_556 ?
C13 N3 Cu3 118.9(9) . 3_556 ?
C19 N4 C23 115.2(10) . . ?
C19 N4 Cu4 125.4(7) . 2 ?
C23 N4 Cu4 119.4(8) . 2 ?
C25 N5 C29 113.7(10) . . ?
C25 N5 Cu5 123.3(8) . . ?
C29 N5 Cu5 123.0(8) . . ?
C35 N6 C31 118.2(11) . . ?
C35 N6 Cu6 119.9(8) . . ?
C31 N6 Cu6 121.8(8) . . ?
C41 N7 C37 117.4(9) . . ?
C41 N7 Cu7 119.8(7) . . ?
C37 N7 Cu7 122.8(7) . . ?
C47 N8 C43 115.6(9) . . ?
C47 N8 Cu8 126.9(8) . . ?
C43 N8 Cu8 117.4(6) . . ?
O19 N9 O17 125.9(12) . . ?
O19 N9 O18 117.1(9) . . ?
O17 N9 O18 116.7(10) . . ?
O19 N9 Pr3 65.7(5) . . ?
O17 N9 Pr3 167.4(9) . . ?
O18 N9 Pr3 52.8(5) . . ?
O19 N9 Pr4 170.3(9) . . ?
O17 N9 Pr4 63.5(6) . . ?
O18 N9 Pr4 53.9(6) . . ?
Pr3 N9 Pr4 104.8(4) . . ?
C49 N12 C50 123.3(7) . . ?
C49 N12 C51 117.8(7) . . ?
C50 N12 C51 118.9(7) . . ?
N1 C1 C2 126.7(12) . . ?
N1 C1 H1A 116.7 . . ?
C2 C1 H1A 116.6 . . ?
C3 C2 C1 117.2(12) . . ?
C3 C2 H2A 121.4 . . ?
C1 C2 H2A 121.4 . . ?
C4 C3 C2 115.8(12) . . ?
C4 C3 C6 124.0(13) . . ?
C2 C3 C6 120.3(11) . . ?
C3 C4 C5 128.7(15) . . ?
C3 C4 H4A 115.6 . . ?
C5 C4 H4A 115.6 . . ?
N1 C5 C4 115.5(14) . . ?
N1 C5 H5A 122.2 . . ?
C4 C5 H5A 122.2 . . ?
O2 C6 O1 120.7(17) . . ?
O2 C6 C3 119.9(12) . . ?
O1 C6 C3 119.3(13) . . ?
N2 C7 C8 123.1(14) . . ?
N2 C7 H7A 118.4 . . ?
C8 C7 H7A 118.4 . . ?
C9 C8 C7 117.8(14) . . ?
C9 C8 H8A 121.1 . . ?
C7 C8 H8A 121.1 . . ?
C10 C9 C8 119.6(12) . . ?
C10 C9 C12 120.8(12) . . ?
C8 C9 C12 119.6(13) . . ?
C9 C10 C11 122.4(16) . . ?
C9 C10 H10A 118.8 . . ?
C11 C10 H10A 118.8 . . ?
N2 C11 C10 120.3(14) . . ?
N2 C11 H11A 119.8 . . ?
C10 C11 H11A 119.8 . . ?
O4 C12 O3 125.6(13) . . ?
O4 C12 C9 119.5(13) . . ?
O3 C12 C9 114.9(13) . . ?
N3 C13 C14 121.8(12) . . ?
N3 C13 H13A 119.1 . . ?
C14 C13 H13A 119.1 . . ?
C13 C14 C15 121.5(13) . . ?
C13 C14 H14A 119.2 . . ?
C15 C14 H14A 119.2 . . ?
C14 C15 C16 114.6(12) . . ?
C14 C15 C18 124.0(12) . . ?
C16 C15 C18 121.4(13) . . ?
C17 C16 C15 123.2(14) . . ?
C17 C16 H16A 118.4 . . ?
C15 C16 H16A 118.4 . . ?
N3 C17 C16 119.4(15) . . ?
N3 C17 H17A 120.3 . . ?
C16 C17 H17A 120.3 . . ?
O5 C18 O6 128.0(13) . . ?
O5 C18 C15 116.4(13) . . ?
O6 C18 C15 115.4(13) . . ?
N4 C19 C20 126.2(10) . . ?
N4 C19 H19A 116.9 . . ?
C20 C19 H19A 116.9 . . ?
C19 C20 C21 119.4(10) . . ?
C19 C20 H20A 120.3 . . ?
C21 C20 H20A 120.3 . . ?
C20 C21 C22 114.3(10) . . ?
C20 C21 C24 124.9(10) . . ?
C22 C21 C24 120.6(9) . . ?
C23 C22 C21 122.6(12) . . ?
C23 C22 H22A 118.7 . . ?
C21 C22 H22A 118.7 . . ?
N4 C23 C22 121.8(12) . . ?
N4 C23 H23A 119.1 . . ?
C22 C23 H23A 119.1 . . ?
O8 C24 O7 123.7(8) . . ?
O8 C24 C21 119.5(9) . . ?
O7 C24 C21 116.7(9) . . ?
O8 C24 Pr1 59.3(5) . . ?
O7 C24 Pr1 64.4(4) . . ?
C21 C24 Pr1 176.8(7) . . ?
C26 C25 N5 125.1(10) . . ?
C26 C25 H25A 117.4 . . ?
N5 C25 H25A 117.4 . . ?
C27 C26 C25 121.9(10) . . ?
C27 C26 H26A 119.0 . . ?
C25 C26 H26A 119.0 . . ?
C26 C27 C28 116.5(11) . . ?
C26 C27 C30 124.2(10) . . ?
C28 C27 C30 118.7(9) . . ?
C29 C28 C27 118.2(11) . . ?
C29 C28 H28A 120.9 . . ?
C27 C28 H28A 120.9 . . ?
N5 C29 C28 124.4(11) . . ?
N5 C29 H29A 117.8 . . ?
C28 C29 H29A 117.8 . . ?
O10 C30 O9 121.2(8) . . ?
O10 C30 C27 124.7(11) . . ?
O9 C30 C27 113.6(9) . . ?
O10 C30 Pr2 61.5(5) . . ?
O9 C30 Pr2 60.6(4) . . ?
C27 C30 Pr2 162.4(7) . . ?
N6 C31 C32 122.1(11) . . ?
N6 C31 H31A 119.0 . . ?
C32 C31 H31A 119.0 . . ?
C33 C32 C31 118.2(10) . . ?
C33 C32 H32A 120.9 . . ?
C31 C32 H32A 120.9 . . ?
C34 C33 C32 121.3(12) . . ?
C34 C33 C36 117.5(13) . . ?
C32 C33 C36 121.1(11) . . ?
C33 C34 C35 116.7(12) . . ?
C33 C34 H34A 121.6 . . ?
C35 C34 H34A 121.6 . . ?
N6 C35 C34 121.6(12) . . ?
N6 C35 H35A 119.2 . . ?
C34 C35 H35A 119.2 . . ?
O12 C36 O11 131.3(13) . . ?
O12 C36 C33 114.6(12) . . ?
O11 C36 C33 114.0(12) . . ?
N7 C37 C38 120.4(11) . . ?
N7 C37 H37A 119.8 . . ?
C38 C37 H37A 119.8 . . ?
C37 C38 C39 121.8(10) . . ?
C37 C38 H38A 119.1 . . ?
C39 C38 H38A 119.1 . . ?
C40 C39 C38 116.5(9) . . ?
C40 C39 C42 120.1(11) . . ?
C38 C39 C42 123.3(10) . . ?
C41 C40 C39 119.2(11) . . ?
C41 C40 H40A 120.4 . . ?
C39 C40 H40A 120.4 . . ?
N7 C41 C40 124.3(11) . . ?
N7 C41 H41A 117.9 . . ?
C40 C41 H41A 117.9 . . ?
O14 C42 O13 127.1(10) . . ?
O14 C42 C39 118.1(10) . . ?
O13 C42 C39 114.7(11) . . ?
N8 C43 C44 120.2(9) . . ?
N8 C43 H43A 119.9 . . ?
C44 C43 H43A 119.9 . . ?
C45 C44 C43 120.1(9) . . ?
C45 C44 H44A 119.9 . . ?
C43 C44 H44A 119.9 . . ?
C44 C45 C46 117.0(9) . . ?
C44 C45 C48 119.2(11) . . ?
C46 C45 C48 123.8(11) . . ?
C47 C46 C45 119.0(10) . . ?
C47 C46 H46A 120.5 . . ?
C45 C46 H46A 120.5 . . ?
C46 C47 N8 127.3(12) . . ?
C46 C47 H47A 116.3 . . ?
N8 C47 H47A 116.3 . . ?
O15 C48 O16 125.8(11) . . ?
O15 C48 C45 118.8(11) . . ?
O16 C48 C45 115.4(13) . . ?
O20 C49 N12 137.6(15) . . ?
O20 C49 H49A 111.2 . . ?
N12 C49 H49A 111.2 . . ?
N12 C50 H50A 109.5 . . ?
N12 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
N12 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
N12 C51 H51A 109.5 . . ?
N12 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
N12 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O15 Pr1 Pr2 O13 -128.1(4) . . . . ?
O9 Pr1 Pr2 O13 -92.1(3) . . . . ?
O5 Pr1 Pr2 O13 133.1(3) . . . . ?
O14 Pr1 Pr2 O13 6.7(3) . . . . ?
O22 Pr1 Pr2 O13 20.8(4) . . . . ?
O17 Pr1 Pr2 O13 -177.5(3) . . . . ?
O8 Pr1 Pr2 O13 78.5(3) . . . . ?
O21 Pr1 Pr2 O13 -56.2(3) . . . . ?
O7 Pr1 Pr2 O13 99.1(3) . . . . ?
C24 Pr1 Pr2 O13 85.8(3) . . . . ?
O15 Pr1 Pr2 O11 98.1(4) . . . . ?
O9 Pr1 Pr2 O11 134.1(3) . . . . ?
O5 Pr1 Pr2 O11 -0.7(3) . . . . ?
O14 Pr1 Pr2 O11 -127.1(3) . . . . ?
O22 Pr1 Pr2 O11 -113.0(4) . . . . ?
O17 Pr1 Pr2 O11 48.7(3) . . . . ?
O8 Pr1 Pr2 O11 -55.3(3) . . . . ?
O21 Pr1 Pr2 O11 170.0(3) . . . . ?
O7 Pr1 Pr2 O11 -34.7(3) . . . . ?
C24 Pr1 Pr2 O11 -48.0(3) . . . . ?
O15 Pr1 Pr2 O20 172.1(3) . . . . ?
O9 Pr1 Pr2 O20 -151.9(3) . . . . ?
O5 Pr1 Pr2 O20 73.3(3) . . . . ?
O14 Pr1 Pr2 O20 -53.1(3) . . . . ?
O22 Pr1 Pr2 O20 -39.0(4) . . . . ?
O17 Pr1 Pr2 O20 122.7(3) . . . . ?
O8 Pr1 Pr2 O20 18.7(3) . . . . ?
O21 Pr1 Pr2 O20 -116.0(3) . . . . ?
O7 Pr1 Pr2 O20 39.3(3) . . . . ?
C24 Pr1 Pr2 O20 26.0(3) . . . . ?
O15 Pr1 Pr2 O2 1.9(4) . . . . ?
O9 Pr1 Pr2 O2 37.9(4) . . . . ?
O5 Pr1 Pr2 O2 -97.0(4) . . . . ?
O14 Pr1 Pr2 O2 136.6(3) . . . . ?
O22 Pr1 Pr2 O2 150.8(4) . . . . ?
O17 Pr1 Pr2 O2 -47.6(3) . . . . ?
O8 Pr1 Pr2 O2 -151.5(3) . . . . ?
O21 Pr1 Pr2 O2 73.7(4) . . . . ?
O7 Pr1 Pr2 O2 -130.9(4) . . . . ?
C24 Pr1 Pr2 O2 -144.3(4) . . . . ?
O15 Pr1 Pr2 O23 -107.3(4) . . . . ?
O9 Pr1 Pr2 O23 -71.3(4) . . . . ?
O5 Pr1 Pr2 O23 153.9(4) . . . . ?
O14 Pr1 Pr2 O23 27.5(4) . . . . ?
O22 Pr1 Pr2 O23 41.6(4) . . . . ?
O17 Pr1 Pr2 O23 -156.7(3) . . . . ?
O8 Pr1 Pr2 O23 99.3(3) . . . . ?
O21 Pr1 Pr2 O23 -35.4(4) . . . . ?
O7 Pr1 Pr2 O23 119.9(4) . . . . ?
C24 Pr1 Pr2 O23 106.6(4) . . . . ?
O15 Pr1 Pr2 O7 132.8(4) . . . . ?
O9 Pr1 Pr2 O7 168.8(3) . . . . ?
O5 Pr1 Pr2 O7 34.0(3) . . . . ?
O14 Pr1 Pr2 O7 -92.4(3) . . . . ?
O22 Pr1 Pr2 O7 -78.3(4) . . . . ?
O17 Pr1 Pr2 O7 83.4(3) . . . . ?
O8 Pr1 Pr2 O7 -20.6(3) . . . . ?
O21 Pr1 Pr2 O7 -155.4(3) . . . . ?
C24 Pr1 Pr2 O7 -13.3(3) . . . . ?
O15 Pr1 Pr2 O19 45.1(3) . . . . ?
O9 Pr1 Pr2 O19 81.1(3) . . . . ?
O5 Pr1 Pr2 O19 -53.7(3) . . . . ?
O14 Pr1 Pr2 O19 179.8(3) . . . . ?
O22 Pr1 Pr2 O19 -166.0(3) . . . . ?
O17 Pr1 Pr2 O19 -4.4(2) . . . . ?
O8 Pr1 Pr2 O19 -108.3(2) . . . . ?
O21 Pr1 Pr2 O19 116.9(3) . . . . ?
O7 Pr1 Pr2 O19 -87.7(3) . . . . ?
C24 Pr1 Pr2 O19 -101.1(3) . . . . ?
O15 Pr1 Pr2 O9 -36.0(4) . . . . ?
O5 Pr1 Pr2 O9 -134.9(3) . . . . ?
O14 Pr1 Pr2 O9 98.7(3) . . . . ?
O22 Pr1 Pr2 O9 112.9(4) . . . . ?
O17 Pr1 Pr2 O9 -85.5(3) . . . . ?
O8 Pr1 Pr2 O9 170.6(3) . . . . ?
O21 Pr1 Pr2 O9 35.8(3) . . . . ?
O7 Pr1 Pr2 O9 -168.8(3) . . . . ?
C24 Pr1 Pr2 O9 177.8(3) . . . . ?
O15 Pr1 Pr2 O10 -49.4(3) . . . . ?
O9 Pr1 Pr2 O10 -13.4(3) . . . . ?
O5 Pr1 Pr2 O10 -148.2(3) . . . . ?
O14 Pr1 Pr2 O10 85.4(3) . . . . ?
O22 Pr1 Pr2 O10 99.5(4) . . . . ?
O17 Pr1 Pr2 O10 -98.8(3) . . . . ?
O8 Pr1 Pr2 O10 157.2(3) . . . . ?
O21 Pr1 Pr2 O10 22.4(3) . . . . ?
O7 Pr1 Pr2 O10 177.8(3) . . . . ?
C24 Pr1 Pr2 O10 164.5(3) . . . . ?
O15 Pr1 Pr2 C30 -42.0(4) . . . . ?
O9 Pr1 Pr2 C30 -6.0(3) . . . . ?
O5 Pr1 Pr2 C30 -140.9(3) . . . . ?
O14 Pr1 Pr2 C30 92.7(3) . . . . ?
O22 Pr1 Pr2 C30 106.9(4) . . . . ?
O17 Pr1 Pr2 C30 -91.5(3) . . . . ?
O8 Pr1 Pr2 C30 164.6(3) . . . . ?
O21 Pr1 Pr2 C30 29.8(3) . . . . ?
O7 Pr1 Pr2 C30 -174.8(3) . . . . ?
C24 Pr1 Pr2 C30 171.8(3) . . . . ?
Cu3 I2 Cu1 N1 -144.2(3) . . . . ?
Cu2 I2 Cu1 N1 148.2(3) . . . . ?
Cu2 I2 Cu1 Cu3 -67.58(6) . . . . ?
Cu3 I2 Cu1 Cu4 37.03(6) . . . . ?
Cu2 I2 Cu1 Cu4 -30.55(6) . . . . ?
Cu3 I2 Cu1 Cu2 67.58(6) . . . . ?
Cu3 I2 Cu1 I1 102.20(7) . . . . ?
Cu2 I2 Cu1 I1 34.62(5) . . . . ?
Cu3 I2 Cu1 I3 -29.42(6) . . . . ?
Cu2 I2 Cu1 I3 -96.99(7) . . . . ?
Cu4 I1 Cu1 N1 140.7(3) . . . . ?
Cu2 I1 Cu1 N1 -150.9(3) . . . . ?
Cu4 I1 Cu1 Cu3 -36.74(6) . . . . ?
Cu2 I1 Cu1 Cu3 31.64(6) . . . . ?
Cu2 I1 Cu1 Cu4 68.39(5) . . . . ?
Cu4 I1 Cu1 I2 -103.45(7) . . . . ?
Cu2 I1 Cu1 I2 -35.06(5) . . . . ?
Cu4 I1 Cu1 Cu2 -68.39(5) . . . . ?
Cu4 I1 Cu1 I3 28.86(5) . . . . ?
Cu2 I1 Cu1 I3 97.25(7) . . . . ?
Cu3 I3 Cu1 N1 147.2(3) . . . . ?
Cu4 I3 Cu1 N1 -141.0(3) . . . . ?
Cu4 I3 Cu1 Cu3 71.78(6) . . . . ?
Cu3 I3 Cu1 Cu4 -71.78(6) . . . . ?
Cu3 I3 Cu1 I2 29.89(6) . . . . ?
Cu4 I3 Cu1 I2 101.67(7) . . . . ?
Cu3 I3 Cu1 Cu2 -36.04(7) . . . . ?
Cu4 I3 Cu1 Cu2 35.74(6) . . . . ?
Cu3 I3 Cu1 I1 -100.54(7) . . . . ?
Cu4 I3 Cu1 I1 -28.76(5) . . . . ?
N1 Cu1 Cu2 N2 -10.7(8) . . . 7_665 ?
Cu3 Cu1 Cu2 N2 138.5(5) . . . 7_665 ?
Cu4 Cu1 Cu2 N2 -148.0(5) . . . 7_665 ?
I2 Cu1 Cu2 N2 65.7(5) . . . 7_665 ?
I1 Cu1 Cu2 N2 -76.7(5) . . . 7_665 ?
I3 Cu1 Cu2 N2 175.4(5) . . . 7_665 ?
N1 Cu1 Cu2 Cu4 137.3(6) . . . . ?
Cu3 Cu1 Cu2 Cu4 -73.47(6) . . . . ?
I2 Cu1 Cu2 Cu4 -146.30(7) . . . . ?
I1 Cu1 Cu2 Cu4 71.28(5) . . . . ?
I3 Cu1 Cu2 Cu4 -36.64(6) . . . . ?
N1 Cu1 Cu2 Cu3 -149.2(6) . . . . ?
Cu4 Cu1 Cu2 Cu3 73.47(6) . . . . ?
I2 Cu1 Cu2 Cu3 -72.82(6) . . . . ?
I1 Cu1 Cu2 Cu3 144.76(7) . . . . ?
I3 Cu1 Cu2 Cu3 36.83(6) . . . . ?
N1 Cu1 Cu2 I4 174.7(6) . . . . ?
Cu3 Cu1 Cu2 I4 -36.09(6) . . . . ?
Cu4 Cu1 Cu2 I4 37.39(6) . . . . ?
I2 Cu1 Cu2 I4 -108.91(7) . . . . ?
I1 Cu1 Cu2 I4 108.67(7) . . . . ?
I3 Cu1 Cu2 I4 0.74(9) . . . . ?
N1 Cu1 Cu2 I1 66.0(6) . . . . ?
Cu3 Cu1 Cu2 I1 -144.76(7) . . . . ?
Cu4 Cu1 Cu2 I1 -71.28(5) . . . . ?
I2 Cu1 Cu2 I1 142.42(6) . . . . ?
I3 Cu1 Cu2 I1 -107.93(6) . . . . ?
N1 Cu1 Cu2 I2 -76.4(6) . . . . ?
Cu3 Cu1 Cu2 I2 72.82(6) . . . . ?
Cu4 Cu1 Cu2 I2 146.30(7) . . . . ?
I1 Cu1 Cu2 I2 -142.42(6) . . . . ?
I3 Cu1 Cu2 I2 109.66(7) . . . . ?
Cu3 I4 Cu2 N2 -141.2(3) . . . 7_665 ?
Cu4 I4 Cu2 N2 146.8(3) . . . 7_665 ?
Cu3 I4 Cu2 Cu4 71.97(6) . . . . ?
Cu4 I4 Cu2 Cu3 -71.97(6) . . . . ?
Cu3 I4 Cu2 Cu1 35.34(7) . . . . ?
Cu4 I4 Cu2 Cu1 -36.63(6) . . . . ?
Cu3 I4 Cu2 I1 101.88(7) . . . . ?
Cu4 I4 Cu2 I1 29.91(5) . . . . ?
Cu3 I4 Cu2 I2 -29.64(6) . . . . ?
Cu4 I4 Cu2 I2 -101.61(7) . . . . ?
Cu4 I1 Cu2 N2 -147.7(3) . . . 7_665 ?
Cu1 I1 Cu2 N2 142.2(3) . . . 7_665 ?
Cu1 I1 Cu2 Cu4 -70.16(6) . . . . ?
Cu4 I1 Cu2 Cu3 37.70(7) . . . . ?
Cu1 I1 Cu2 Cu3 -32.47(7) . . . . ?
Cu4 I1 Cu2 Cu1 70.16(6) . . . . ?
Cu4 I1 Cu2 I4 -30.27(6) . . . . ?
Cu1 I1 Cu2 I4 -100.43(7) . . . . ?
Cu4 I1 Cu2 I2 104.08(6) . . . . ?
Cu1 I1 Cu2 I2 33.92(5) . . . . ?
Cu1 I2 Cu2 N2 -145.7(3) . . . 7_665 ?
Cu3 I2 Cu2 N2 144.4(3) . . . 7_665 ?
Cu1 I2 Cu2 Cu4 31.18(6) . . . . ?
Cu3 I2 Cu2 Cu4 -38.77(6) . . . . ?
Cu1 I2 Cu2 Cu3 69.95(6) . . . . ?
Cu3 I2 Cu2 Cu1 -69.95(6) . . . . ?
Cu1 I2 Cu2 I4 99.62(7) . . . . ?
Cu3 I2 Cu2 I4 29.68(6) . . . . ?
Cu1 I2 Cu2 I1 -34.49(5) . . . . ?
Cu3 I2 Cu2 I1 -104.44(6) . . . . ?
N2 Cu2 Cu3 N3 3.5(8) 7_665 . . 3_456 ?
Cu4 Cu2 Cu3 N3 -148.0(6) . . . 3_456 ?
Cu1 Cu2 Cu3 N3 142.1(6) . . . 3_456 ?
I4 Cu2 Cu3 N3 -76.6(6) . . . 3_456 ?
I1 Cu2 Cu3 N3 174.9(6) . . . 3_456 ?
I2 Cu2 Cu3 N3 73.1(6) . . . 3_456 ?
N2 Cu2 Cu3 Cu1 -138.7(5) 7_665 . . . ?
Cu4 Cu2 Cu3 Cu1 69.87(6) . . . . ?
I4 Cu2 Cu3 Cu1 141.27(7) . . . . ?
I1 Cu2 Cu3 Cu1 32.79(7) . . . . ?
I2 Cu2 Cu3 Cu1 -69.03(5) . . . . ?
N2 Cu2 Cu3 Cu4 151.4(5) 7_665 . . . ?
Cu1 Cu2 Cu3 Cu4 -69.87(6) . . . . ?
I4 Cu2 Cu3 Cu4 71.40(5) . . . . ?
I1 Cu2 Cu3 Cu4 -37.09(6) . . . . ?
I2 Cu2 Cu3 Cu4 -138.90(7) . . . . ?
N2 Cu2 Cu3 I3 -177.1(5) 7_665 . . . ?
Cu4 Cu2 Cu3 I3 31.49(7) . . . . ?
Cu1 Cu2 Cu3 I3 -38.38(6) . . . . ?
I4 Cu2 Cu3 I3 102.89(7) . . . . ?
I1 Cu2 Cu3 I3 -5.59(10) . . . . ?
I2 Cu2 Cu3 I3 -107.41(7) . . . . ?
N2 Cu2 Cu3 I4 80.0(5) 7_665 . . . ?
Cu4 Cu2 Cu3 I4 -71.40(5) . . . . ?
Cu1 Cu2 Cu3 I4 -141.27(7) . . . . ?
I1 Cu2 Cu3 I4 -108.48(7) . . . . ?
I2 Cu2 Cu3 I4 149.70(6) . . . . ?
N2 Cu2 Cu3 I2 -69.7(5) 7_665 . . . ?
Cu4 Cu2 Cu3 I2 138.90(7) . . . . ?
Cu1 Cu2 Cu3 I2 69.03(5) . . . . ?
I4 Cu2 Cu3 I2 -149.70(6) . . . . ?
I1 Cu2 Cu3 I2 101.82(7) . . . . ?
N1 Cu1 Cu3 N3 11.9(8) . . . 3_456 ?
Cu4 Cu1 Cu3 N3 151.3(5) . . . 3_456 ?
I2 Cu1 Cu3 N3 -68.4(5) . . . 3_456 ?
Cu2 Cu1 Cu3 N3 -140.2(5) . . . 3_456 ?
I1 Cu1 Cu3 N3 -172.5(5) . . . 3_456 ?
I3 Cu1 Cu3 N3 80.9(5) . . . 3_456 ?
N1 Cu1 Cu3 Cu2 152.1(5) . . . . ?
Cu4 Cu1 Cu3 Cu2 -68.50(6) . . . . ?
I2 Cu1 Cu3 Cu2 71.86(6) . . . . ?
I1 Cu1 Cu3 Cu2 -32.24(6) . . . . ?
I3 Cu1 Cu3 Cu2 -138.89(7) . . . . ?
N1 Cu1 Cu3 Cu4 -139.4(5) . . . . ?
I2 Cu1 Cu3 Cu4 140.35(6) . . . . ?
Cu2 Cu1 Cu3 Cu4 68.50(6) . . . . ?
I1 Cu1 Cu3 Cu4 36.26(6) . . . . ?
I3 Cu1 Cu3 Cu4 -70.39(5) . . . . ?
N1 Cu1 Cu3 I3 -69.0(5) . . . . ?
Cu4 Cu1 Cu3 I3 70.39(5) . . . . ?
I2 Cu1 Cu3 I3 -149.26(6) . . . . ?
Cu2 Cu1 Cu3 I3 138.89(7) . . . . ?
I1 Cu1 Cu3 I3 106.65(6) . . . . ?
N1 Cu1 Cu3 I4 -171.9(5) . . . . ?
Cu4 Cu1 Cu3 I4 -32.54(6) . . . . ?
I2 Cu1 Cu3 I4 107.81(7) . . . . ?
Cu2 Cu1 Cu3 I4 35.95(6) . . . . ?
I1 Cu1 Cu3 I4 3.72(9) . . . . ?
I3 Cu1 Cu3 I4 -102.93(7) . . . . ?
N1 Cu1 Cu3 I2 80.3(5) . . . . ?
Cu4 Cu1 Cu3 I2 -140.35(6) . . . . ?
Cu2 Cu1 Cu3 I2 -71.86(6) . . . . ?
I1 Cu1 Cu3 I2 -104.09(6) . . . . ?
I3 Cu1 Cu3 I2 149.26(6) . . . . ?
Cu4 I3 Cu3 N3 148.7(4) . . . 3_456 ?
Cu1 I3 Cu3 N3 -142.0(4) . . . 3_456 ?
Cu4 I3 Cu3 Cu2 -30.92(6) . . . . ?
Cu1 I3 Cu3 Cu2 38.31(7) . . . . ?
Cu4 I3 Cu3 Cu1 -69.23(6) . . . . ?
Cu1 I3 Cu3 Cu4 69.23(6) . . . . ?
Cu4 I3 Cu3 I4 34.72(5) . . . . ?
Cu1 I3 Cu3 I4 103.94(7) . . . . ?
Cu4 I3 Cu3 I2 -98.30(7) . . . . ?
Cu1 I3 Cu3 I2 -29.07(6) . . . . ?
Cu2 I4 Cu3 N3 141.4(3) . . . 3_456 ?
Cu4 I4 Cu3 N3 -150.1(3) . . . 3_456 ?
Cu4 I4 Cu3 Cu2 68.48(5) . . . . ?
Cu2 I4 Cu3 Cu1 -36.28(6) . . . . ?
Cu4 I4 Cu3 Cu1 32.20(6) . . . . ?
Cu2 I4 Cu3 Cu4 -68.48(5) . . . . ?
Cu2 I4 Cu3 I3 -103.12(7) . . . . ?
Cu4 I4 Cu3 I3 -34.64(5) . . . . ?
Cu2 I4 Cu3 I2 29.45(6) . . . . ?
Cu4 I4 Cu3 I2 97.93(7) . . . . ?
Cu1 I2 Cu3 N3 145.5(3) . . . 3_456 ?
Cu2 I2 Cu3 N3 -142.6(3) . . . 3_456 ?
Cu1 I2 Cu3 Cu2 -71.92(6) . . . . ?
Cu2 I2 Cu3 Cu1 71.92(6) . . . . ?
Cu1 I2 Cu3 Cu4 -35.53(6) . . . . ?
Cu2 I2 Cu3 Cu4 36.39(6) . . . . ?
Cu1 I2 Cu3 I3 29.70(6) . . . . ?
Cu2 I2 Cu3 I3 101.62(7) . . . . ?
Cu1 I2 Cu3 I4 -101.12(7) . . . . ?
Cu2 I2 Cu3 I4 -29.21(6) . . . . ?
N2 Cu2 Cu4 N4 -3.9(7) 7_665 . . 2_554 ?
Cu3 Cu2 Cu4 N4 143.5(4) . . . 2_554 ?
Cu1 Cu2 Cu4 N4 -147.3(4) . . . 2_554 ?
I4 Cu2 Cu4 N4 72.7(4) . . . 2_554 ?
I1 Cu2 Cu4 N4 -76.4(4) . . . 2_554 ?
I2 Cu2 Cu4 N4 -178.1(4) . . . 2_554 ?
N2 Cu2 Cu4 Cu1 143.4(5) 7_665 . . . ?
Cu3 Cu2 Cu4 Cu1 -69.22(7) . . . . ?
I4 Cu2 Cu4 Cu1 -140.02(7) . . . . ?
I1 Cu2 Cu4 Cu1 70.90(5) . . . . ?
I2 Cu2 Cu4 Cu1 -30.83(6) . . . . ?
N2 Cu2 Cu4 I1 72.5(5) 7_665 . . . ?
Cu3 Cu2 Cu4 I1 -140.13(7) . . . . ?
Cu1 Cu2 Cu4 I1 -70.90(5) . . . . ?
I4 Cu2 Cu4 I1 149.08(6) . . . . ?
I2 Cu2 Cu4 I1 -101.73(7) . . . . ?
N2 Cu2 Cu4 Cu3 -147.4(5) 7_665 . . . ?
Cu1 Cu2 Cu4 Cu3 69.22(7) . . . . ?
I4 Cu2 Cu4 Cu3 -70.79(5) . . . . ?
I1 Cu2 Cu4 Cu3 140.13(7) . . . . ?
I2 Cu2 Cu4 Cu3 38.40(6) . . . . ?
N2 Cu2 Cu4 I3 -178.7(5) 7_665 . . . ?
Cu3 Cu2 Cu4 I3 -31.30(6) . . . . ?
Cu1 Cu2 Cu4 I3 37.93(6) . . . . ?
I4 Cu2 Cu4 I3 -102.09(6) . . . . ?
I1 Cu2 Cu4 I3 108.83(6) . . . . ?
I2 Cu2 Cu4 I3 7.10(9) . . . . ?
N2 Cu2 Cu4 I4 -76.6(5) 7_665 . . . ?
Cu3 Cu2 Cu4 I4 70.79(5) . . . . ?
Cu1 Cu2 Cu4 I4 140.02(7) . . . . ?
I1 Cu2 Cu4 I4 -149.08(6) . . . . ?
I2 Cu2 Cu4 I4 109.19(7) . . . . ?
N1 Cu1 Cu4 N4 1.4(7) . . . 2_554 ?
Cu3 Cu1 Cu4 N4 -143.2(5) . . . 2_554 ?
I2 Cu1 Cu4 N4 179.5(5) . . . 2_554 ?
Cu2 Cu1 Cu4 N4 147.9(5) . . . 2_554 ?
I1 Cu1 Cu4 N4 76.6(5) . . . 2_554 ?
I3 Cu1 Cu4 N4 -72.9(5) . . . 2_554 ?
N1 Cu1 Cu4 Cu2 -146.5(5) . . . . ?
Cu3 Cu1 Cu4 Cu2 68.85(6) . . . . ?
I2 Cu1 Cu4 Cu2 31.58(6) . . . . ?
I1 Cu1 Cu4 Cu2 -71.36(5) . . . . ?
I3 Cu1 Cu4 Cu2 139.14(7) . . . . ?
N1 Cu1 Cu4 I1 -75.2(5) . . . . ?
Cu3 Cu1 Cu4 I1 140.20(6) . . . . ?
I2 Cu1 Cu4 I1 102.94(7) . . . . ?
Cu2 Cu1 Cu4 I1 71.36(5) . . . . ?
I3 Cu1 Cu4 I1 -149.51(6) . . . . ?
N1 Cu1 Cu4 Cu3 144.6(5) . . . . ?
I2 Cu1 Cu4 Cu3 -37.26(6) . . . . ?
Cu2 Cu1 Cu4 Cu3 -68.85(6) . . . . ?
I1 Cu1 Cu4 Cu3 -140.20(6) . . . . ?
I3 Cu1 Cu4 Cu3 70.29(5) . . . . ?
N1 Cu1 Cu4 I3 74.3(5) . . . . ?
Cu3 Cu1 Cu4 I3 -70.29(5) . . . . ?
I2 Cu1 Cu4 I3 -107.56(7) . . . . ?
Cu2 Cu1 Cu4 I3 -139.14(7) . . . . ?
I1 Cu1 Cu4 I3 149.51(6) . . . . ?
N1 Cu1 Cu4 I4 176.7(5) . . . . ?
Cu3 Cu1 Cu4 I4 32.11(6) . . . . ?
I2 Cu1 Cu4 I4 -5.15(9) . . . . ?
Cu2 Cu1 Cu4 I4 -36.73(6) . . . . ?
I1 Cu1 Cu4 I4 -108.09(6) . . . . ?
I3 Cu1 Cu4 I4 102.41(6) . . . . ?
Cu2 I1 Cu4 N4 144.8(3) . . . 2_554 ?
Cu1 I1 Cu4 N4 -144.1(3) . . . 2_554 ?
Cu1 I1 Cu4 Cu2 71.11(6) . . . . ?
Cu2 I1 Cu4 Cu1 -71.11(6) . . . . ?
Cu2 I1 Cu4 Cu3 -35.54(6) . . . . ?
Cu1 I1 Cu4 Cu3 35.57(6) . . . . ?
Cu2 I1 Cu4 I3 -100.77(7) . . . . ?
Cu1 I1 Cu4 I3 -29.66(5) . . . . ?
Cu2 I1 Cu4 I4 29.62(6) . . . . ?
Cu1 I1 Cu4 I4 100.73(7) . . . . ?
N3 Cu3 Cu4 N4 -3.5(8) 3_456 . . 2_554 ?
Cu2 Cu3 Cu4 N4 -143.9(5) . . . 2_554 ?
Cu1 Cu3 Cu4 N4 142.9(5) . . . 2_554 ?
I3 Cu3 Cu4 N4 70.2(5) . . . 2_554 ?
I4 Cu3 Cu4 N4 -72.2(5) . . . 2_554 ?
I2 Cu3 Cu4 N4 178.5(5) . . . 2_554 ?
N3 Cu3 Cu4 Cu2 140.5(7) 3_456 . . . ?
Cu1 Cu3 Cu4 Cu2 -73.19(6) . . . . ?
I3 Cu3 Cu4 Cu2 -145.89(7) . . . . ?
I4 Cu3 Cu4 Cu2 71.75(5) . . . . ?
I2 Cu3 Cu4 Cu2 -37.60(6) . . . . ?
N3 Cu3 Cu4 Cu1 -146.4(6) 3_456 . . . ?
Cu2 Cu3 Cu4 Cu1 73.19(6) . . . . ?
I3 Cu3 Cu4 Cu1 -72.70(5) . . . . ?
I4 Cu3 Cu4 Cu1 144.94(6) . . . . ?
I2 Cu3 Cu4 Cu1 35.59(6) . . . . ?
N3 Cu3 Cu4 I1 177.1(6) 3_456 . . . ?
Cu2 Cu3 Cu4 I1 36.69(6) . . . . ?
Cu1 Cu3 Cu4 I1 -36.50(6) . . . . ?
I3 Cu3 Cu4 I1 -109.20(6) . . . . ?
I4 Cu3 Cu4 I1 108.44(6) . . . . ?
I2 Cu3 Cu4 I1 -0.91(8) . . . . ?
N3 Cu3 Cu4 I3 -73.7(6) 3_456 . . . ?
Cu2 Cu3 Cu4 I3 145.89(7) . . . . ?
Cu1 Cu3 Cu4 I3 72.70(5) . . . . ?
I4 Cu3 Cu4 I3 -142.36(5) . . . . ?
I2 Cu3 Cu4 I3 108.29(7) . . . . ?
N3 Cu3 Cu4 I4 68.7(6) 3_456 . . . ?
Cu2 Cu3 Cu4 I4 -71.75(5) . . . . ?
Cu1 Cu3 Cu4 I4 -144.94(6) . . . . ?
I3 Cu3 Cu4 I4 142.36(5) . . . . ?
I2 Cu3 Cu4 I4 -109.35(6) . . . . ?
Cu3 I3 Cu4 N4 -146.1(3) . . . 2_554 ?
Cu1 I3 Cu4 N4 145.1(3) . . . 2_554 ?
Cu3 I3 Cu4 Cu2 30.87(6) . . . . ?
Cu1 I3 Cu4 Cu2 -37.91(6) . . . . ?
Cu3 I3 Cu4 Cu1 68.78(6) . . . . ?
Cu3 I3 Cu4 I1 98.39(7) . . . . ?
Cu1 I3 Cu4 I1 29.61(6) . . . . ?
Cu1 I3 Cu4 Cu3 -68.78(6) . . . . ?
Cu3 I3 Cu4 I4 -34.31(5) . . . . ?
Cu1 I3 Cu4 I4 -103.09(6) . . . . ?
Cu2 I4 Cu4 N4 -145.7(3) . . . 2_554 ?
Cu3 I4 Cu4 N4 145.4(3) . . . 2_554 ?
Cu3 I4 Cu4 Cu2 -68.82(6) . . . . ?
Cu2 I4 Cu4 Cu1 37.07(6) . . . . ?
Cu3 I4 Cu4 Cu1 -31.75(6) . . . . ?
Cu2 I4 Cu4 I1 -29.92(6) . . . . ?
Cu3 I4 Cu4 I1 -98.74(7) . . . . ?
Cu2 I4 Cu4 Cu3 68.82(6) . . . . ?
Cu2 I4 Cu4 I3 103.11(7) . . . . ?
Cu3 I4 Cu4 I3 34.30(5) . . . . ?
Cu7 I6 Cu5 N5 143.3(3) 8_565 . . . ?
Cu6 I6 Cu5 N5 -147.3(3) 2_554 . . . ?
Cu6 I6 Cu5 Cu7 69.43(6) 2_554 . . 8_565 ?
Cu7 I6 Cu5 Cu8 -34.95(6) 8_565 . . 4_655 ?
Cu6 I6 Cu5 Cu8 34.48(6) 2_554 . . 4_655 ?
Cu7 I6 Cu5 Cu6 -69.43(6) 8_565 . . 2_554 ?
Cu7 I6 Cu5 I5 -101.60(7) 8_565 . . . ?
Cu6 I6 Cu5 I5 -32.17(5) 2_554 . . . ?
Cu7 I6 Cu5 I8 32.48(6) 8_565 . . . ?
Cu6 I6 Cu5 I8 101.90(7) 2_554 . . . ?
Cu6 I5 Cu5 N5 152.2(3) 2_554 . . . ?
Cu8 I5 Cu5 N5 -138.2(3) 4_655 . . . ?
Cu6 I5 Cu5 Cu7 -32.42(6) 2_554 . . 8_565 ?
Cu8 I5 Cu5 Cu7 37.15(6) 4_655 . . 8_565 ?
Cu6 I5 Cu5 Cu8 -69.57(6) 2_554 . . 4_655 ?
Cu8 I5 Cu5 Cu6 69.57(5) 4_655 . . 2_554 ?
Cu6 I5 Cu5 I6 34.02(5) 2_554 . . . ?
Cu8 I5 Cu5 I6 103.59(7) 4_655 . . . ?
Cu6 I5 Cu5 I8 -98.78(7) 2_554 . . . ?
Cu8 I5 Cu5 I8 -29.21(5) 4_655 . . . ?
Cu7 I8 Cu5 N5 -148.3(2) 8_565 . . . ?
Cu8 I8 Cu5 N5 139.4(2) 4_655 . . . ?
Cu8 I8 Cu5 Cu7 -72.30(6) 4_655 . . 8_565 ?
Cu7 I8 Cu5 Cu8 72.30(6) 8_565 . . 4_655 ?
Cu7 I8 Cu5 Cu6 36.95(6) 8_565 . . 2_554 ?
Cu8 I8 Cu5 Cu6 -35.35(6) 4_655 . . 2_554 ?
Cu7 I8 Cu5 I6 -32.56(6) 8_565 . . . ?
Cu8 I8 Cu5 I6 -104.86(7) 4_655 . . . ?
Cu7 I8 Cu5 I5 101.15(7) 8_565 . . . ?
Cu8 I8 Cu5 I5 28.85(5) 4_655 . . . ?
Cu8 I7 Cu6 N6 -155.1(4) 3_456 . . . ?
Cu7 I7 Cu6 N6 133.9(4) 7_655 . . . ?
Cu7 I7 Cu6 Cu8 -70.92(5) 7_655 . . 3_456 ?
Cu8 I7 Cu6 Cu7 70.92(5) 3_456 . . 7_655 ?
Cu8 I7 Cu6 Cu5 36.42(6) 3_456 . . 2 ?
Cu7 I7 Cu6 Cu5 -34.50(6) 7_655 . . 2 ?
Cu8 I7 Cu6 I5 -31.48(6) 3_456 . . 2 ?
Cu7 I7 Cu6 I5 -102.41(7) 7_655 . . 2 ?
Cu8 I7 Cu6 I6 99.80(7) 3_456 . . 2 ?
Cu7 I7 Cu6 I6 28.88(5) 7_655 . . 2 ?
O18 Pr3 O1 C6 -34(2) . . . . ?
O3 Pr3 O1 C6 -138.1(17) . . . . ?
O12 Pr3 O1 C6 64.6(19) . . . . ?
O24 Pr3 O1 C6 -89.4(19) . . . . ?
O25 Pr3 O1 C6 -172(2) . . . . ?
O26 Pr3 O1 C6 136(2) . . . . ?
O27 Pr3 O1 C6 90(2) . . . . ?
O19 Pr3 O1 C6 -11.1(18) . . . . ?
N9 Pr3 O1 C6 -24(2) . . . . ?
O13 Pr2 O2 C6 120(2) . . . . ?
O11 Pr2 O2 C6 -97(2) . . . . ?
O20 Pr2 O2 C6 -145(2) . . . . ?
O23 Pr2 O2 C6 163(2) . . . . ?
O7 Pr2 O2 C6 -30(3) . . . . ?
O19 Pr2 O2 C6 -17(2) . . . . ?
O9 Pr2 O2 C6 45(2) . . . . ?
O10 Pr2 O2 C6 82(2) . . . . ?
C30 Pr2 O2 C6 61(2) . . . . ?
Pr1 Pr2 O2 C6 24(3) . . . . ?
O18 Pr3 O3 C12 27.3(15) . . . . ?
O1 Pr3 O3 C12 153.6(15) . . . . ?
O12 Pr3 O3 C12 -64.5(17) . . . . ?
O24 Pr3 O3 C12 105.5(16) . . . . ?
O25 Pr3 O3 C12 -173.2(18) . . . . ?
O26 Pr3 O3 C12 -116.5(17) . . . . ?
O27 Pr3 O3 C12 -52.8(16) . . . . ?
O19 Pr3 O3 C12 42.1(17) . . . . ?
N9 Pr3 O3 C12 37.6(16) . . . . ?
O16 Pr4 O4 C12 -139.6(16) . . . . ?
O6 Pr4 O4 C12 82.0(18) . . . . ?
O18 Pr4 O4 C12 -11.9(16) . . . . ?
O29 Pr4 O4 C12 130.2(18) . . . . ?
O31 Pr4 O4 C12 -94.5(17) . . . . ?
O30 Pr4 O4 C12 -143.1(18) . . . . ?
O28 Pr4 O4 C12 65.3(17) . . . . ?
O17 Pr4 O4 C12 -24.8(18) . . . . ?
N9 Pr4 O4 C12 -20.3(17) . . . . ?
O15 Pr1 O5 C18 -98.6(16) . . . . ?
O9 Pr1 O5 C18 -17.3(17) . . . . ?
O14 Pr1 O5 C18 119.0(15) . . . . ?
O22 Pr1 O5 C18 172.0(16) . . . . ?
O17 Pr1 O5 C18 -18.7(15) . . . . ?
O8 Pr1 O5 C18 88.9(16) . . . . ?
O21 Pr1 O5 C18 -139.8(15) . . . . ?
O7 Pr1 O5 C18 47.2(16) . . . . ?
C24 Pr1 O5 C18 67.8(16) . . . . ?
Pr2 Pr1 O5 C18 28.3(16) . . . . ?
O4 Pr4 O6 C18 -167.2(16) . . . . ?
O16 Pr4 O6 C18 40.3(18) . . . . ?
O18 Pr4 O6 C18 -84.9(19) . . . . ?
O29 Pr4 O6 C18 143(2) . . . . ?
O31 Pr4 O6 C18 7(2) . . . . ?
O30 Pr4 O6 C18 80.1(19) . . . . ?
O28 Pr4 O6 C18 -150(2) . . . . ?
O17 Pr4 O6 C18 -42.7(18) . . . . ?
N9 Pr4 O6 C18 -62.5(18) . . . . ?
O13 Pr2 O7 C24 51.3(11) . . . . ?
O11 Pr2 O7 C24 -88.6(11) . . . . ?
O20 Pr2 O7 C24 -22.9(11) . . . . ?
O2 Pr2 O7 C24 -149.6(11) . . . . ?
O23 Pr2 O7 C24 8.8(12) . . . . ?
O19 Pr2 O7 C24 -163.2(11) . . . . ?
O9 Pr2 O7 C24 125.8(11) . . . . ?
O10 Pr2 O7 C24 116.8(11) . . . . ?
C30 Pr2 O7 C24 123.9(11) . . . . ?
Pr1 Pr2 O7 C24 119.4(11) . . . . ?
O13 Pr2 O7 Pr1 -68.0(3) . . . . ?
O11 Pr2 O7 Pr1 152.1(3) . . . . ?
O20 Pr2 O7 Pr1 -142.2(3) . . . . ?
O2 Pr2 O7 Pr1 91.1(5) . . . . ?
O23 Pr2 O7 Pr1 -110.5(4) . . . . ?
O19 Pr2 O7 Pr1 77.4(2) . . . . ?
O9 Pr2 O7 Pr1 6.48(19) . . . . ?
O10 Pr2 O7 Pr1 -2.6(4) . . . . ?
C30 Pr2 O7 Pr1 4.5(3) . . . . ?
O15 Pr1 O7 C24 124.2(6) . . . . ?
O9 Pr1 O7 C24 -159.5(5) . . . . ?
O5 Pr1 O7 C24 54.0(5) . . . . ?
O14 Pr1 O7 C24 -78.6(5) . . . . ?
O22 Pr1 O7 C24 -19.8(6) . . . . ?
O17 Pr1 O7 C24 125.0(5) . . . . ?
O8 Pr1 O7 C24 0.2(5) . . . . ?
O21 Pr1 O7 C24 -118.5(6) . . . . ?
Pr2 Pr1 O7 C24 -152.6(6) . . . . ?
O15 Pr1 O7 Pr2 -83.2(5) . . . . ?
O9 Pr1 O7 Pr2 -6.9(2) . . . . ?
O5 Pr1 O7 Pr2 -153.3(3) . . . . ?
O14 Pr1 O7 Pr2 74.1(3) . . . . ?
O22 Pr1 O7 Pr2 132.8(3) . . . . ?
O17 Pr1 O7 Pr2 -82.4(2) . . . . ?
O8 Pr1 O7 Pr2 152.9(4) . . . . ?
O21 Pr1 O7 Pr2 34.2(4) . . . . ?
C24 Pr1 O7 Pr2 152.6(6) . . . . ?
O15 Pr1 O8 C24 -131.6(6) . . . . ?
O9 Pr1 O8 C24 21.3(6) . . . . ?
O5 Pr1 O8 C24 -120.2(6) . . . . ?
O14 Pr1 O8 C24 82.9(6) . . . . ?
O22 Pr1 O8 C24 163.1(6) . . . . ?
O17 Pr1 O8 C24 -51.2(6) . . . . ?
O21 Pr1 O8 C24 115.2(6) . . . . ?
O7 Pr1 O8 C24 -0.2(5) . . . . ?
Pr2 Pr1 O8 C24 15.2(6) . . . . ?
O15 Pr1 O9 C30 -54.4(14) . . . . ?
O5 Pr1 O9 C30 -127.8(13) . . . . ?
O14 Pr1 O9 C30 83.9(14) . . . . ?
O22 Pr1 O9 C30 37.8(15) . . . . ?
O17 Pr1 O9 C30 -126.4(14) . . . . ?
O8 Pr1 O9 C30 142.5(13) . . . . ?
O21 Pr1 O9 C30 9.6(13) . . . . ?
O7 Pr1 O9 C30 159.8(14) . . . . ?
C24 Pr1 O9 C30 151.2(14) . . . . ?
Pr2 Pr1 O9 C30 153.0(15) . . . . ?
O15 Pr1 O9 Pr2 152.6(3) . . . . ?
O5 Pr1 O9 Pr2 79.1(4) . . . . ?
O14 Pr1 O9 Pr2 -69.1(3) . . . . ?
O22 Pr1 O9 Pr2 -115.2(3) . . . . ?
O17 Pr1 O9 Pr2 80.6(2) . . . . ?
O8 Pr1 O9 Pr2 -10.5(3) . . . . ?
O21 Pr1 O9 Pr2 -143.5(3) . . . . ?
O7 Pr1 O9 Pr2 6.80(19) . . . . ?
C24 Pr1 O9 Pr2 -1.9(3) . . . . ?
O13 Pr2 O9 C30 -93.7(6) . . . . ?
O11 Pr2 O9 C30 117.3(6) . . . . ?
O20 Pr2 O9 C30 -127.7(6) . . . . ?
O2 Pr2 O9 C30 40.2(6) . . . . ?
O23 Pr2 O9 C30 -34.6(6) . . . . ?
O7 Pr2 O9 C30 -175.6(6) . . . . ?
O19 Pr2 O9 C30 107.3(6) . . . . ?
O10 Pr2 O9 C30 -5.6(6) . . . . ?
Pr1 Pr2 O9 C30 -168.3(6) . . . . ?
O13 Pr2 O9 Pr1 74.7(3) . . . . ?
O11 Pr2 O9 Pr1 -74.4(4) . . . . ?
O20 Pr2 O9 Pr1 40.6(4) . . . . ?
O2 Pr2 O9 Pr1 -151.5(3) . . . . ?
O23 Pr2 O9 Pr1 133.8(3) . . . . ?
O7 Pr2 O9 Pr1 -7.3(2) . . . . ?
O19 Pr2 O9 Pr1 -84.4(3) . . . . ?
O10 Pr2 O9 Pr1 162.7(4) . . . . ?
C30 Pr2 O9 Pr1 168.3(6) . . . . ?
O13 Pr2 O10 C30 82.7(8) . . . . ?
O11 Pr2 O10 C30 -121.6(8) . . . . ?
O20 Pr2 O10 C30 125.8(7) . . . . ?
O2 Pr2 O10 C30 -124.3(8) . . . . ?
O23 Pr2 O10 C30 160.8(8) . . . . ?
O7 Pr2 O10 C30 17.2(8) . . . . ?
O19 Pr2 O10 C30 -51.6(7) . . . . ?
O9 Pr2 O10 C30 6.1(6) . . . . ?
Pr1 Pr2 O10 C30 15.6(7) . . . . ?
O13 Pr2 O11 C36 168.7(10) . . . . ?
O20 Pr2 O11 C36 163.7(12) . . . . ?
O2 Pr2 O11 C36 28.6(11) . . . . ?
O23 Pr2 O11 C36 97.2(12) . . . . ?
O7 Pr2 O11 C36 -119.7(11) . . . . ?
O19 Pr2 O11 C36 -49.5(11) . . . . ?
O9 Pr2 O11 C36 -58.9(13) . . . . ?
O10 Pr2 O11 C36 26.0(13) . . . . ?
C30 Pr2 O11 C36 -13.1(14) . . . . ?
Pr1 Pr2 O11 C36 -99.0(11) . . . . ?
O18 Pr3 O12 C36 83.7(14) . . . . ?
O1 Pr3 O12 C36 -41.9(13) . . . . ?
O3 Pr3 O12 C36 164.6(12) . . . . ?
O24 Pr3 O12 C36 0.1(16) . . . . ?
O25 Pr3 O12 C36 -101.0(14) . . . . ?
O26 Pr3 O12 C36 -140.4(15) . . . . ?
O27 Pr3 O12 C36 152.9(14) . . . . ?
O19 Pr3 O12 C36 42.1(13) . . . . ?
N9 Pr3 O12 C36 60.8(14) . . . . ?
O11 Pr2 O13 C42 106.8(11) . . . . ?
O20 Pr2 O13 C42 111.6(12) . . . . ?
O2 Pr2 O13 C42 -133.4(11) . . . . ?
O23 Pr2 O13 C42 -175.2(12) . . . . ?
O7 Pr2 O13 C42 29.7(11) . . . . ?
O19 Pr2 O13 C42 -17.8(13) . . . . ?
O9 Pr2 O13 C42 -44.6(11) . . . . ?
O10 Pr2 O13 C42 -97.1(12) . . . . ?
C30 Pr2 O13 C42 -72.1(12) . . . . ?
Pr1 Pr2 O13 C42 -9.1(11) . . . . ?
O15 Pr1 O14 C42 109.1(12) . . . . ?
O9 Pr1 O14 C42 22.2(11) . . . . ?
O5 Pr1 O14 C42 -133.5(11) . . . . ?
O22 Pr1 O14 C42 174.7(12) . . . . ?
O17 Pr1 O14 C42 -19.7(13) . . . . ?
O8 Pr1 O14 C42 -104.0(12) . . . . ?
O21 Pr1 O14 C42 99.4(12) . . . . ?
O7 Pr1 O14 C42 -51.3(11) . . . . ?
C24 Pr1 O14 C42 -78.0(12) . . . . ?
Pr2 Pr1 O14 C42 -14.2(11) . . . . ?
O9 Pr1 O15 C48 -134.1(9) . . . . ?
O5 Pr1 O15 C48 10.7(9) . . . . ?
O14 Pr1 O15 C48 147.6(8) . . . . ?
O22 Pr1 O15 C48 84.6(9) . . . . ?
O17 Pr1 O15 C48 -67.2(9) . . . . ?
O8 Pr1 O15 C48 21.7(11) . . . . ?
O21 Pr1 O15 C48 157.5(10) . . . . ?
O7 Pr1 O15 C48 -66.5(10) . . . . ?
C24 Pr1 O15 C48 -18.5(12) . . . . ?
Pr2 Pr1 O15 C48 -113.9(9) . . . . ?
O4 Pr4 O16 C48 147.4(13) . . . . ?
O6 Pr4 O16 C48 -59.1(14) . . . . ?
O18 Pr4 O16 C48 39.5(16) . . . . ?
O29 Pr4 O16 C48 -129.8(15) . . . . ?
O31 Pr4 O16 C48 101.6(15) . . . . ?
O30 Pr4 O16 C48 151.0(16) . . . . ?
O28 Pr4 O16 C48 -76.2(16) . . . . ?
O17 Pr4 O16 C48 17.4(14) . . . . ?
N9 Pr4 O16 C48 29.7(15) . . . . ?
O15 Pr1 O17 N9 -137.8(10) . . . . ?
O9 Pr1 O17 N9 -33.2(10) . . . . ?
O5 Pr1 O17 N9 145.9(10) . . . . ?
O14 Pr1 O17 N9 10.3(11) . . . . ?
O22 Pr1 O17 N9 164.6(9) . . . . ?
O8 Pr1 O17 N9 82.2(10) . . . . ?
O21 Pr1 O17 N9 -86.3(10) . . . . ?
O7 Pr1 O17 N9 42.7(10) . . . . ?
C24 Pr1 O17 N9 63.4(10) . . . . ?
Pr2 Pr1 O17 N9 4.9(9) . . . . ?
O15 Pr1 O17 Pr4 38.6(4) . . . . ?
O9 Pr1 O17 Pr4 143.2(4) . . . . ?
O5 Pr1 O17 Pr4 -37.7(3) . . . . ?
O14 Pr1 O17 Pr4 -173.3(3) . . . . ?
O22 Pr1 O17 Pr4 -19.0(6) . . . . ?
O8 Pr1 O17 Pr4 -101.3(3) . . . . ?
O21 Pr1 O17 Pr4 90.1(4) . . . . ?
O7 Pr1 O17 Pr4 -140.9(4) . . . . ?
C24 Pr1 O17 Pr4 -120.2(4) . . . . ?
Pr2 Pr1 O17 Pr4 -178.7(4) . . . . ?
O4 Pr4 O17 N9 10.3(7) . . . . ?
O16 Pr4 O17 N9 151.5(6) . . . . ?
O6 Pr4 O17 N9 -129.0(7) . . . . ?
O18 Pr4 O17 N9 -5.7(6) . . . . ?
O29 Pr4 O17 N9 -118.9(10) . . . . ?
O31 Pr4 O17 N9 77.1(6) . . . . ?
O30 Pr4 O17 N9 98.0(8) . . . . ?
O28 Pr4 O17 N9 -64.4(7) . . . . ?
O4 Pr4 O17 Pr1 -167.3(4) . . . . ?
O16 Pr4 O17 Pr1 -26.1(4) . . . . ?
O6 Pr4 O17 Pr1 53.4(5) . . . . ?
O18 Pr4 O17 Pr1 176.7(5) . . . . ?
O29 Pr4 O17 Pr1 63.5(9) . . . . ?
O31 Pr4 O17 Pr1 -100.5(4) . . . . ?
O30 Pr4 O17 Pr1 -79.6(6) . . . . ?
O28 Pr4 O17 Pr1 118.0(5) . . . . ?
N9 Pr4 O17 Pr1 -177.6(8) . . . . ?
O1 Pr3 O18 N9 21.6(10) . . . . ?
O3 Pr3 O18 N9 156.0(9) . . . . ?
O12 Pr3 O18 N9 -63.0(9) . . . . ?
O24 Pr3 O18 N9 76.6(8) . . . . ?
O25 Pr3 O18 N9 123.9(11) . . . . ?
O26 Pr3 O18 N9 -143.5(10) . . . . ?
O27 Pr3 O18 N9 -129.0(9) . . . . ?
O19 Pr3 O18 N9 -7.8(7) . . . . ?
O1 Pr3 O18 Pr4 -117.4(9) . . . . ?
O3 Pr3 O18 Pr4 17.0(9) . . . . ?
O12 Pr3 O18 Pr4 158.0(9) . . . . ?
O24 Pr3 O18 Pr4 -62.4(10) . . . . ?
O25 Pr3 O18 Pr4 -15.1(14) . . . . ?
O26 Pr3 O18 Pr4 77.5(13) . . . . ?
O27 Pr3 O18 Pr4 91.9(10) . . . . ?
O19 Pr3 O18 Pr4 -146.8(12) . . . . ?
N9 Pr3 O18 Pr4 -139.0(16) . . . . ?
O4 Pr4 O18 N9 -160.5(9) . . . . ?
O16 Pr4 O18 N9 -22.7(10) . . . . ?
O6 Pr4 O18 N9 62.1(9) . . . . ?
O29 Pr4 O18 N9 142.5(9) . . . . ?
O31 Pr4 O18 N9 -82.2(8) . . . . ?
O30 Pr4 O18 N9 -105.4(9) . . . . ?
O28 Pr4 O18 N9 124.3(9) . . . . ?
O17 Pr4 O18 N9 5.7(7) . . . . ?
O4 Pr4 O18 Pr3 -21.3(9) . . . . ?
O16 Pr4 O18 Pr3 116.5(9) . . . . ?
O6 Pr4 O18 Pr3 -158.8(9) . . . . ?
O29 Pr4 O18 Pr3 -78.3(12) . . . . ?
O31 Pr4 O18 Pr3 57.0(9) . . . . ?
O30 Pr4 O18 Pr3 33.7(11) . . . . ?
O28 Pr4 O18 Pr3 -96.5(10) . . . . ?
O17 Pr4 O18 Pr3 144.9(11) . . . . ?
N9 Pr4 O18 Pr3 139.2(16) . . . . ?
O13 Pr2 O19 N9 18.9(12) . . . . ?
O11 Pr2 O19 N9 -127.1(11) . . . . ?
O20 Pr2 O19 N9 -85.7(10) . . . . ?
O2 Pr2 O19 N9 157.7(11) . . . . ?
O23 Pr2 O19 N9 158.1(10) . . . . ?
O7 Pr2 O19 N9 -30.4(10) . . . . ?
O9 Pr2 O19 N9 46.6(10) . . . . ?
O10 Pr2 O19 N9 92.0(10) . . . . ?
C30 Pr2 O19 N9 72.7(10) . . . . ?
Pr1 Pr2 O19 N9 10.3(10) . . . . ?
O13 Pr2 O19 Pr3 -168.2(3) . . . . ?
O11 Pr2 O19 Pr3 45.8(4) . . . . ?
O20 Pr2 O19 Pr3 87.2(4) . . . . ?
O2 Pr2 O19 Pr3 -29.5(4) . . . . ?
O23 Pr2 O19 Pr3 -29.0(6) . . . . ?
O7 Pr2 O19 Pr3 142.5(4) . . . . ?
O9 Pr2 O19 Pr3 -140.5(4) . . . . ?
O10 Pr2 O19 Pr3 -95.1(4) . . . . ?
C30 Pr2 O19 Pr3 -114.4(5) . . . . ?
Pr1 Pr2 O19 Pr3 -176.8(4) . . . . ?
O18 Pr3 O19 N9 7.8(7) . . . . ?
O1 Pr3 O19 N9 -148.8(7) . . . . ?
O3 Pr3 O19 N9 -10.5(8) . . . . ?
O12 Pr3 O19 N9 132.1(7) . . . . ?
O24 Pr3 O19 N9 -73.6(7) . . . . ?
O25 Pr3 O19 N9 -118.0(12) . . . . ?
O26 Pr3 O19 N9 127.7(13) . . . . ?
O27 Pr3 O19 N9 66.3(7) . . . . ?
O18 Pr3 O19 Pr2 -167.5(6) . . . . ?
O1 Pr3 O19 Pr2 35.8(5) . . . . ?
O3 Pr3 O19 Pr2 174.1(4) . . . . ?
O12 Pr3 O19 Pr2 -43.3(4) . . . . ?
O24 Pr3 O19 Pr2 111.0(5) . . . . ?
O25 Pr3 O19 Pr2 66.6(11) . . . . ?
O26 Pr3 O19 Pr2 -47.7(13) . . . . ?
O27 Pr3 O19 Pr2 -109.0(5) . . . . ?
N9 Pr3 O19 Pr2 -175.3(9) . . . . ?
O13 Pr2 O20 C49 -7.0(7) . . . . ?
O11 Pr2 O20 C49 169.6(8) . . . . ?
O2 Pr2 O20 C49 -139.5(7) . . . . ?
O23 Pr2 O20 C49 -87.6(8) . . . . ?
O7 Pr2 O20 C49 72.7(7) . . . . ?
O19 Pr2 O20 C49 125.3(7) . . . . ?
O9 Pr2 O20 C49 26.9(9) . . . . ?
O10 Pr2 O20 C49 -51.3(9) . . . . ?
C30 Pr2 O20 C49 -13.6(10) . . . . ?
Pr1 Pr2 O20 C49 49.1(8) . . . . ?
Cu3 Cu1 N1 C1 95.6(12) . . . . ?
Cu4 Cu1 N1 C1 -20.4(14) . . . . ?
I2 Cu1 N1 C1 161.4(10) . . . . ?
Cu2 Cu1 N1 C1 -135.0(9) . . . . ?
I1 Cu1 N1 C1 -80.2(11) . . . . ?
I3 Cu1 N1 C1 39.0(11) . . . . ?
Cu3 Cu1 N1 C5 -80.0(13) . . . . ?
Cu4 Cu1 N1 C5 164.0(10) . . . . ?
I2 Cu1 N1 C5 -14.2(12) . . . . ?
Cu2 Cu1 N1 C5 49.4(14) . . . . ?
I1 Cu1 N1 C5 104.2(11) . . . . ?
I3 Cu1 N1 C5 -136.6(11) . . . . ?
Cu7 Cu5 N5 C25 -132.0(8) 8_565 . . . ?
Cu8 Cu5 N5 C25 -19.9(12) 4_655 . . . ?
Cu6 Cu5 N5 C25 91.4(10) 2_554 . . . ?
I6 Cu5 N5 C25 162.6(9) . . . . ?
I5 Cu5 N5 C25 40.5(10) . . . . ?
I8 Cu5 N5 C25 -79.0(9) . . . . ?
Cu7 Cu5 N5 C29 51.8(12) 8_565 . . . ?
Cu8 Cu5 N5 C29 163.9(8) 4_655 . . . ?
Cu6 Cu5 N5 C29 -84.8(11) 2_554 . . . ?
I6 Cu5 N5 C29 -13.7(11) . . . . ?
I5 Cu5 N5 C29 -135.8(10) . . . . ?
I8 Cu5 N5 C29 104.8(10) . . . . ?
Cu8 Cu6 N6 C35 -99.8(13) 3_456 . . . ?
Cu7 Cu6 N6 C35 34.1(16) 7_655 . . . ?
Cu5 Cu6 N6 C35 127.5(12) 2 . . . ?
I5 Cu6 N6 C35 -163.4(12) 2 . . . ?
I7 Cu6 N6 C35 -36.0(14) . . . . ?
I6 Cu6 N6 C35 81.0(13) 2 . . . ?
Cu8 Cu6 N6 C31 82.3(15) 3_456 . . . ?
Cu7 Cu6 N6 C31 -143.9(10) 7_655 . . . ?
Cu5 Cu6 N6 C31 -50.4(14) 2 . . . ?
I5 Cu6 N6 C31 18.7(13) 2 . . . ?
I7 Cu6 N6 C31 146.1(11) . . . . ?
I6 Cu6 N6 C31 -96.9(12) 2 . . . ?
Cu5 Cu7 N7 C41 -116.3(9) 8_566 . . . ?
Cu6 Cu7 N7 C41 111.6(9) 7_665 . . . ?
I6 Cu7 N7 C41 -177.7(9) 8_566 . . . ?
I8 Cu7 N7 C41 -54.3(10) 8_566 . . . ?
Cu8 Cu7 N7 C41 10.5(12) 5_666 . . . ?
I7 Cu7 N7 C41 61.4(10) 7_665 . . . ?
Cu5 Cu7 N7 C37 65.2(11) 8_566 . . . ?
Cu6 Cu7 N7 C37 -67.0(11) 7_665 . . . ?
I6 Cu7 N7 C37 3.8(10) 8_566 . . . ?
I8 Cu7 N7 C37 127.2(9) 8_566 . . . ?
Cu8 Cu7 N7 C37 -168.1(7) 5_666 . . . ?
I7 Cu7 N7 C37 -117.1(9) 7_665 . . . ?
Cu6 Cu8 N8 C47 -54.2(12) 3_556 . . . ?
Cu5 Cu8 N8 C47 69.3(11) 4_655 . . . ?
Cu7 Cu8 N8 C47 172.7(8) 5_666 . . . ?
I5 Cu8 N8 C47 3.8(10) 4_655 . . . ?
I7 Cu8 N8 C47 -118.9(10) 3_556 . . . ?
I8 Cu8 N8 C47 124.4(10) 4_655 . . . ?
Cu6 Cu8 N8 C43 129.5(7) 3_556 . . . ?
Cu5 Cu8 N8 C43 -106.9(7) 4_655 . . . ?
Cu7 Cu8 N8 C43 -3.6(10) 5_666 . . . ?
I5 Cu8 N8 C43 -172.5(7) 4_655 . . . ?
I7 Cu8 N8 C43 64.8(7) 3_556 . . . ?
I8 Cu8 N8 C43 -51.9(7) 4_655 . . . ?
Pr2 O19 N9 O17 -11.1(18) . . . . ?
Pr3 O19 N9 O17 174.2(11) . . . . ?
Pr2 O19 N9 O18 162.1(8) . . . . ?
Pr3 O19 N9 O18 -12.6(11) . . . . ?
Pr2 O19 N9 Pr3 174.7(10) . . . . ?
Pr2 O19 N9 Pr4 -177(4) . . . . ?
Pr3 O19 N9 Pr4 8(5) . . . . ?
Pr1 O17 N9 O19 -0.1(18) . . . . ?
Pr4 O17 N9 O19 -177.4(11) . . . . ?
Pr1 O17 N9 O18 -173.4(8) . . . . ?
Pr4 O17 N9 O18 9.3(11) . . . . ?
Pr1 O17 N9 Pr3 155(3) . . . . ?
Pr4 O17 N9 Pr3 -23(3) . . . . ?
Pr1 O17 N9 Pr4 177.3(9) . . . . ?
Pr3 O18 N9 O19 14.4(13) . . . . ?
Pr4 O18 N9 O19 175.8(9) . . . . ?
Pr3 O18 N9 O17 -171.7(8) . . . . ?
Pr4 O18 N9 O17 -10.3(12) . . . . ?
Pr4 O18 N9 Pr3 161.4(8) . . . . ?
Pr3 O18 N9 Pr4 -161.4(8) . . . . ?
O18 Pr3 N9 O19 -165.9(12) . . . . ?
O1 Pr3 N9 O19 31.6(7) . . . . ?
O3 Pr3 N9 O19 171.0(6) . . . . ?
O12 Pr3 N9 O19 -45.6(6) . . . . ?
O24 Pr3 N9 O19 98.8(6) . . . . ?
O25 Pr3 N9 O19 101.6(10) . . . . ?
O26 Pr3 N9 O19 -98.4(11) . . . . ?
O27 Pr3 N9 O19 -117.0(7) . . . . ?
O18 Pr3 N9 O17 36(3) . . . . ?
O1 Pr3 N9 O17 -126(3) . . . . ?
O3 Pr3 N9 O17 13(3) . . . . ?
O12 Pr3 N9 O17 157(3) . . . . ?
O24 Pr3 N9 O17 -59(3) . . . . ?
O25 Pr3 N9 O17 -56(4) . . . . ?
O26 Pr3 N9 O17 104(3) . . . . ?
O27 Pr3 N9 O17 85(3) . . . . ?
O19 Pr3 N9 O17 -158(4) . . . . ?
O1 Pr3 N9 O18 -162.5(9) . . . . ?
O3 Pr3 N9 O18 -23.1(9) . . . . ?
O12 Pr3 N9 O18 120.3(9) . . . . ?
O24 Pr3 N9 O18 -95.3(9) . . . . ?
O25 Pr3 N9 O18 -92.5(11) . . . . ?
O26 Pr3 N9 O18 67.5(14) . . . . ?
O27 Pr3 N9 O18 48.9(9) . . . . ?
O19 Pr3 N9 O18 165.9(12) . . . . ?
O18 Pr3 N9 Pr4 15.5(7) . . . . ?
O1 Pr3 N9 Pr4 -147.0(4) . . . . ?
O3 Pr3 N9 Pr4 -7.6(4) . . . . ?
O12 Pr3 N9 Pr4 135.8(4) . . . . ?
O24 Pr3 N9 Pr4 -79.8(4) . . . . ?
O25 Pr3 N9 Pr4 -77.0(8) . . . . ?
O26 Pr3 N9 Pr4 83.0(11) . . . . ?
O27 Pr3 N9 Pr4 64.4(5) . . . . ?
O19 Pr3 N9 Pr4 -178.6(8) . . . . ?
O4 Pr4 N9 O19 -4(5) . . . . ?
O16 Pr4 N9 O19 139(5) . . . . ?
O6 Pr4 N9 O19 -144(5) . . . . ?
O18 Pr4 N9 O19 -23(4) . . . . ?
O29 Pr4 N9 O19 -87(5) . . . . ?
O31 Pr4 N9 O19 70(5) . . . . ?
O30 Pr4 N9 O19 68(5) . . . . ?
O28 Pr4 N9 O19 -75(5) . . . . ?
O17 Pr4 N9 O19 168(5) . . . . ?
O4 Pr4 N9 O17 -171.4(6) . . . . ?
O16 Pr4 N9 O17 -28.8(6) . . . . ?
O6 Pr4 N9 O17 48.6(6) . . . . ?
O18 Pr4 N9 O17 169.7(12) . . . . ?
O29 Pr4 N9 O17 106.0(10) . . . . ?
O31 Pr4 N9 O17 -98.0(6) . . . . ?
O30 Pr4 N9 O17 -99.6(7) . . . . ?
O28 Pr4 N9 O17 117.4(7) . . . . ?
O4 Pr4 N9 O18 18.9(9) . . . . ?
O16 Pr4 N9 O18 161.5(8) . . . . ?
O6 Pr4 N9 O18 -121.1(9) . . . . ?
O29 Pr4 N9 O18 -63.8(13) . . . . ?
O31 Pr4 N9 O18 92.3(8) . . . . ?
O30 Pr4 N9 O18 90.7(9) . . . . ?
O28 Pr4 N9 O18 -52.3(9) . . . . ?
O17 Pr4 N9 O18 -169.7(12) . . . . ?
O4 Pr4 N9 Pr3 3.7(4) . . . . ?
O16 Pr4 N9 Pr3 146.3(3) . . . . ?
O6 Pr4 N9 Pr3 -136.4(4) . . . . ?
O18 Pr4 N9 Pr3 -15.3(7) . . . . ?
O29 Pr4 N9 Pr3 -79.0(10) . . . . ?
O31 Pr4 N9 Pr3 77.1(3) . . . . ?
O30 Pr4 N9 Pr3 75.4(6) . . . . ?
O28 Pr4 N9 Pr3 -67.6(4) . . . . ?
O17 Pr4 N9 Pr3 175.0(8) . . . . ?
C5 N1 C1 C2 -2(2) . . . . ?
Cu1 N1 C1 C2 -177.7(12) . . . . ?
N1 C1 C2 C3 0(2) . . . . ?
C1 C2 C3 C4 0(2) . . . . ?
C1 C2 C3 C6 178.6(13) . . . . ?
C2 C3 C4 C5 2(3) . . . . ?
C6 C3 C4 C5 -176.3(18) . . . . ?
C1 N1 C5 C4 4(2) . . . . ?
Cu1 N1 C5 C4 179.5(13) . . . . ?
C3 C4 C5 N1 -4(3) . . . . ?
Pr2 O2 C6 O1 42(3) . . . . ?
Pr2 O2 C6 C3 -140.0(19) . . . . ?
Pr3 O1 C6 O2 -16(3) . . . . ?
Pr3 O1 C6 C3 165.7(12) . . . . ?
C4 C3 C6 O2 -2(2) . . . . ?
C2 C3 C6 O2 179.8(14) . . . . ?
C4 C3 C6 O1 176.5(17) . . . . ?
C2 C3 C6 O1 -2(2) . . . . ?
C11 N2 C7 C8 2(3) . . . . ?
Cu2 N2 C7 C8 172.0(16) 7_655 . . . ?
N2 C7 C8 C9 1(3) . . . . ?
C7 C8 C9 C10 1(3) . . . . ?
C7 C8 C9 C12 -177.9(16) . . . . ?
C8 C9 C10 C11 -7(3) . . . . ?
C12 C9 C10 C11 172.8(18) . . . . ?
C7 N2 C11 C10 -7(3) . . . . ?
Cu2 N2 C11 C10 -176.4(15) 7_655 . . . ?
C9 C10 C11 N2 10(3) . . . . ?
Pr4 O4 C12 O3 47(3) . . . . ?
Pr4 O4 C12 C9 -135.6(12) . . . . ?
Pr3 O3 C12 O4 -60(3) . . . . ?
Pr3 O3 C12 C9 122.7(12) . . . . ?
C10 C9 C12 O4 4(3) . . . . ?
C8 C9 C12 O4 -176.5(16) . . . . ?
C10 C9 C12 O3 -178.1(18) . . . . ?
C8 C9 C12 O3 1(2) . . . . ?
C17 N3 C13 C14 3(2) . . . . ?
Cu3 N3 C13 C14 178.7(10) 3_556 . . . ?
N3 C13 C14 C15 -1(2) . . . . ?
C13 C14 C15 C16 1(2) . . . . ?
C13 C14 C15 C18 -177.3(13) . . . . ?
C14 C15 C16 C17 -3(3) . . . . ?
C18 C15 C16 C17 175.5(18) . . . . ?
C13 N3 C17 C16 -5(3) . . . . ?
Cu3 N3 C17 C16 179.8(15) 3_556 . . . ?
C15 C16 C17 N3 5(3) . . . . ?
Pr1 O5 C18 O6 38(3) . . . . ?
Pr1 O5 C18 C15 -136.1(12) . . . . ?
Pr4 O6 C18 O5 12(3) . . . . ?
Pr4 O6 C18 C15 -174.0(11) . . . . ?
C14 C15 C18 O5 15(2) . . . . ?
C16 C15 C18 O5 -163.9(15) . . . . ?
C14 C15 C18 O6 -159.8(15) . . . . ?
C16 C15 C18 O6 22(2) . . . . ?
C23 N4 C19 C20 0.8(18) . . . . ?
Cu4 N4 C19 C20 178.5(9) 2 . . . ?
N4 C19 C20 C21 -0.7(18) . . . . ?
C19 C20 C21 C22 -3.0(15) . . . . ?
C19 C20 C21 C24 -178.1(10) . . . . ?
C20 C21 C22 C23 7(2) . . . . ?
C24 C21 C22 C23 -178.0(13) . . . . ?
C19 N4 C23 C22 3(2) . . . . ?
Cu4 N4 C23 C22 -174.9(12) 2 . . . ?
C21 C22 C23 N4 -7(2) . . . . ?
Pr1 O8 C24 O7 0.4(10) . . . . ?
Pr1 O8 C24 C21 176.6(7) . . . . ?
Pr2 O7 C24 O8 -123.8(10) . . . . ?
Pr1 O7 C24 O8 -0.4(10) . . . . ?
Pr2 O7 C24 C21 59.9(14) . . . . ?
Pr1 O7 C24 C21 -176.7(7) . . . . ?
Pr2 O7 C24 Pr1 -123.4(10) . . . . ?
C20 C21 C24 O8 -155.3(10) . . . . ?
C22 C21 C24 O8 29.9(15) . . . . ?
C20 C21 C24 O7 21.2(14) . . . . ?
C22 C21 C24 O7 -153.7(11) . . . . ?
C20 C21 C24 Pr1 -88(14) . . . . ?
C22 C21 C24 Pr1 97(14) . . . . ?
O15 Pr1 C24 O8 82.3(8) . . . . ?
O9 Pr1 C24 O8 -161.1(6) . . . . ?
O5 Pr1 C24 O8 54.1(6) . . . . ?
O14 Pr1 C24 O8 -87.9(6) . . . . ?
O22 Pr1 C24 O8 -16.8(6) . . . . ?
O17 Pr1 C24 O8 129.5(6) . . . . ?
O21 Pr1 C24 O8 -91.8(7) . . . . ?
O7 Pr1 C24 O8 179.6(9) . . . . ?
Pr2 Pr1 C24 O8 -162.4(6) . . . . ?
O15 Pr1 C24 O7 -97.3(7) . . . . ?
O9 Pr1 C24 O7 19.3(5) . . . . ?
O5 Pr1 C24 O7 -125.5(5) . . . . ?
O14 Pr1 C24 O7 92.4(5) . . . . ?
O22 Pr1 C24 O7 163.6(5) . . . . ?
O17 Pr1 C24 O7 -50.1(5) . . . . ?
O8 Pr1 C24 O7 -179.6(9) . . . . ?
O21 Pr1 C24 O7 88.5(6) . . . . ?
Pr2 Pr1 C24 O7 18.0(4) . . . . ?
O15 Pr1 C24 C21 13(15) . . . . ?
O9 Pr1 C24 C21 130(14) . . . . ?
O5 Pr1 C24 C21 -15(14) . . . . ?
O14 Pr1 C24 C21 -157(14) . . . . ?
O22 Pr1 C24 C21 -86(14) . . . . ?
O17 Pr1 C24 C21 60(14) . . . . ?
O8 Pr1 C24 C21 -69(14) . . . . ?
O21 Pr1 C24 C21 -161(14) . . . . ?
O7 Pr1 C24 C21 110(14) . . . . ?
Pr2 Pr1 C24 C21 129(14) . . . . ?
C29 N5 C25 C26 -0.4(18) . . . . ?
Cu5 N5 C25 C26 -176.9(10) . . . . ?
N5 C25 C26 C27 2(2) . . . . ?
C25 C26 C27 C28 -0.6(18) . . . . ?
C25 C26 C27 C30 170.3(12) . . . . ?
C26 C27 C28 C29 -2.0(19) . . . . ?
C30 C27 C28 C29 -173.4(12) . . . . ?
C25 N5 C29 C28 -2(2) . . . . ?
Cu5 N5 C29 C28 174.1(11) . . . . ?
C27 C28 C29 N5 4(2) . . . . ?
Pr2 O10 C30 O9 -10.9(11) . . . . ?
Pr2 O10 C30 C27 160.7(9) . . . . ?
Pr1 O9 C30 O10 -144.0(10) . . . . ?
Pr2 O9 C30 O10 11.0(11) . . . . ?
Pr1 O9 C30 C27 43.6(18) . . . . ?
Pr2 O9 C30 C27 -161.4(8) . . . . ?
Pr1 O9 C30 Pr2 -154.9(14) . . . . ?
C26 C27 C30 O10 -140.3(12) . . . . ?
C28 C27 C30 O10 30.4(17) . . . . ?
C26 C27 C30 O9 31.8(15) . . . . ?
C28 C27 C30 O9 -157.5(10) . . . . ?
C26 C27 C30 Pr2 -35(3) . . . . ?
C28 C27 C30 Pr2 136(3) . . . . ?
O13 Pr2 C30 O10 -91.1(8) . . . . ?
O11 Pr2 C30 O10 90.1(9) . . . . ?
O20 Pr2 C30 O10 -84.6(9) . . . . ?
O2 Pr2 C30 O10 50.2(8) . . . . ?
O23 Pr2 C30 O10 -18.8(8) . . . . ?
O7 Pr2 C30 O10 -165.2(7) . . . . ?
O19 Pr2 C30 O10 126.3(8) . . . . ?
O9 Pr2 C30 O10 -169.4(11) . . . . ?
Pr1 Pr2 C30 O10 -161.9(8) . . . . ?
O13 Pr2 C30 O9 78.2(5) . . . . ?
O11 Pr2 C30 O9 -100.6(7) . . . . ?
O20 Pr2 C30 O9 84.7(7) . . . . ?
O2 Pr2 C30 O9 -140.4(6) . . . . ?
O23 Pr2 C30 O9 150.6(5) . . . . ?
O7 Pr2 C30 O9 4.2(5) . . . . ?
O19 Pr2 C30 O9 -64.3(5) . . . . ?
O10 Pr2 C30 O9 169.4(11) . . . . ?
Pr1 Pr2 C30 O9 7.4(4) . . . . ?
O13 Pr2 C30 C27 153(3) . . . . ?
O11 Pr2 C30 C27 -25(3) . . . . ?
O20 Pr2 C30 C27 160(3) . . . . ?
O2 Pr2 C30 C27 -65(3) . . . . ?
O23 Pr2 C30 C27 -134(3) . . . . ?
O7 Pr2 C30 C27 79(3) . . . . ?
O19 Pr2 C30 C27 11(3) . . . . ?
O9 Pr2 C30 C27 75(3) . . . . ?
O10 Pr2 C30 C27 -115(3) . . . . ?
Pr1 Pr2 C30 C27 83(3) . . . . ?
C35 N6 C31 C32 -9(2) . . . . ?
Cu6 N6 C31 C32 169.2(12) . . . . ?
N6 C31 C32 C33 0(2) . . . . ?
C31 C32 C33 C34 1(2) . . . . ?
C31 C32 C33 C36 -177.1(13) . . . . ?
C32 C33 C34 C35 6(2) . . . . ?
C36 C33 C34 C35 -176.2(13) . . . . ?
C31 N6 C35 C34 16(2) . . . . ?
Cu6 N6 C35 C34 -162.0(12) . . . . ?
C33 C34 C35 N6 -15(3) . . . . ?
Pr3 O12 C36 O11 -66(2) . . . . ?
Pr3 O12 C36 C33 115.0(11) . . . . ?
Pr2 O11 C36 O12 70(2) . . . . ?
Pr2 O11 C36 C33 -110.8(11) . . . . ?
C34 C33 C36 O12 3.8(19) . . . . ?
C32 C33 C36 O12 -177.9(14) . . . . ?
C34 C33 C36 O11 -175.7(13) . . . . ?
C32 C33 C36 O11 2.5(19) . . . . ?
C41 N7 C37 C38 -0.4(18) . . . . ?
Cu7 N7 C37 C38 178.2(9) . . . . ?
N7 C37 C38 C39 -4(2) . . . . ?
C37 C38 C39 C40 3.6(19) . . . . ?
C37 C38 C39 C42 -172.5(11) . . . . ?
C38 C39 C40 C41 1.8(19) . . . . ?
C42 C39 C40 C41 178.0(12) . . . . ?
C37 N7 C41 C40 6(2) . . . . ?
Cu7 N7 C41 C40 -172.4(11) . . . . ?
C39 C40 C41 N7 -7(2) . . . . ?
Pr1 O14 C42 O13 14(2) . . . . ?
Pr1 O14 C42 C39 -162.6(7) . . . . ?
Pr2 O13 C42 O14 3(2) . . . . ?
Pr2 O13 C42 C39 -179.6(8) . . . . ?
C40 C39 C42 O14 8.7(17) . . . . ?
C38 C39 C42 O14 -175.4(12) . . . . ?
C40 C39 C42 O13 -168.6(11) . . . . ?
C38 C39 C42 O13 7.3(16) . . . . ?
C47 N8 C43 C44 -4.8(15) . . . . ?
Cu8 N8 C43 C44 171.9(8) . . . . ?
N8 C43 C44 C45 -1.2(16) . . . . ?
C43 C44 C45 C46 2.2(16) . . . . ?
C43 C44 C45 C48 -178.4(10) . . . . ?
C44 C45 C46 C47 2.8(18) . . . . ?
C48 C45 C46 C47 -176.5(12) . . . . ?
C45 C46 C47 N8 -10(2) . . . . ?
C43 N8 C47 C46 11.0(19) . . . . ?
Cu8 N8 C47 C46 -165.4(11) . . . . ?
Pr1 O15 C48 O16 83.2(15) . . . . ?
Pr1 O15 C48 C45 -97.5(11) . . . . ?
Pr4 O16 C48 O15 -45(2) . . . . ?
Pr4 O16 C48 C45 135.3(10) . . . . ?
C44 C45 C48 O15 -9.5(16) . . . . ?
C46 C45 C48 O15 169.8(12) . . . . ?
C44 C45 C48 O16 169.9(11) . . . . ?
C46 C45 C48 O16 -10.8(17) . . . . ?
Pr2 O20 C49 N12 174.3(6) . . . . ?
C50 N12 C49 O20 0.00(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        24.78
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         1.531
_refine_diff_density_min         -0.892
_refine_diff_density_rms         0.136
