#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/20/4112050.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4112050
loop_
_publ_author_name
'Santanu Banerjee'
'Louise Huebner'
'Michael D. Romanelli'
'G. Ajith Kumar'
'Richard E. Riman'
'Thomas J. Emge'
'John G. Brennan'
_publ_section_title
;
 Oxoselenido Clusters of the Lanthanides: Rational Introduction of Oxo
 Ligands and Near-IR Emission from Nd(III)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15900
_journal_page_last               15906
_journal_paper_doi               10.1021/ja054261q
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C148.96 H185.9 O15.24 Pr8 Se18'
_chemical_formula_weight         4768.74
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.403(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.8034(15)
_cell_length_b                   16.7324(15)
_cell_length_c                   28.875(3)
_cell_measurement_reflns_used    9005
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.38
_cell_measurement_theta_min      2.26
_cell_volume                     8116.1(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0469
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            82721
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.72
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.444
_exptl_absorpt_correction_T_max  0.9999
_exptl_absorpt_correction_T_min  0.6407
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.951
_exptl_crystal_description       lathe
_exptl_crystal_F_000             4571
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.644
_refine_diff_density_min         -1.296
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.856
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     888
_refine_ls_number_reflns         20156
_refine_ls_number_restraints     1358
_refine_ls_restrained_S_all      0.853
_refine_ls_R_factor_all          0.0609
_refine_ls_R_factor_gt           0.0389
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0500P)²+55.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0913
_refine_ls_wR_factor_ref         0.0997
_reflns_number_gt                15215
_reflns_number_total             20156
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja054261qsi20050628_122549.cif
_cod_data_source_block           prsepho2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0500P)^2^+55.0000P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0500P)^2^+55.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        8116.2(13)
_cod_original_formula_sum        'C148.96 H185.90 O15.24 Pr8 Se18'
_cod_database_code               4112050
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pr1 Pr -0.243558(18) 0.456390(18) 0.088785(10) 0.02770(7) Uani 1 d . . .
Pr2 Pr 0.034881(17) 0.446068(16) 0.070708(9) 0.02225(6) Uani 1 d . . .
Pr3 Pr 0.154692(18) 0.635170(17) 0.042623(9) 0.02600(7) Uani 1 d . . .
Pr4 Pr -0.069558(18) 0.650936(16) 0.076314(9) 0.02567(7) Uani 1 d . . .
Se1 Se -0.11733(3) 0.50435(3) 0.021329(16) 0.02331(10) Uani 1 d . . .
Se2 Se -0.08732(3) 0.50961(3) 0.140765(17) 0.02628(11) Uani 1 d . . .
Se3 Se -0.25825(3) 0.63313(3) 0.073150(19) 0.03188(12) Uani 1 d . . .
Se4 Se -0.23488(4) 0.38635(4) 0.181169(19) 0.03787(14) Uani 1 d . . .
Se5 Se -0.31922(3) 0.41337(4) -0.003443(18) 0.03145(12) Uani 1 d . . .
Se6 Se -0.12469(3) 0.32289(3) 0.059137(18) 0.02848(11) Uani 1 d . . .
Se7 Se 0.19026(3) 0.50714(3) 0.114631(18) 0.02967(12) Uani 1 d . . .
Se8 Se 0.11761(3) 0.30867(3) 0.020479(17) 0.02967(12) Uani 1 d D . .
Se9 Se 0.05288(4) 0.78223(3) 0.06846(2) 0.03737(14) Uani 1 d . . .
O1 O 0.0429(2) 0.5828(2) 0.06801(11) 0.0236(7) Uani 1 d U . .
O2 O -0.3863(2) 0.4790(3) 0.10863(13) 0.0370(9) Uani 1 d DU . .
O3 O 0.0535(2) 0.3503(2) 0.13698(13) 0.0326(8) Uani 1 d U . .
O4 O 0.2535(3) 0.7264(3) 0.08343(15) 0.0449(10) Uani 1 d U . .
O5 O -0.1092(3) 0.7382(2) 0.14078(14) 0.0395(10) Uani 1 d U . .
C1 C -0.0541(3) 0.5203(3) 0.20489(17) 0.0285(11) Uani 1 d U . .
C2 C 0.0268(4) 0.5137(3) 0.21644(19) 0.0338(12) Uani 1 d U . .
H2 H 0.0644 0.5042 0.1930 0.041 Uiso 1 calc R . .
C3 C 0.0519(4) 0.5212(4) 0.2625(2) 0.0380(13) Uani 1 d U . .
H3 H 0.1068 0.5164 0.2705 0.046 Uiso 1 calc R . .
C4 C -0.0023(4) 0.5356(3) 0.29667(19) 0.0387(14) Uani 1 d U . .
H4 H 0.0154 0.5412 0.3280 0.046 Uiso 1 calc R . .
C5 C -0.0821(4) 0.5417(4) 0.28525(19) 0.0382(13) Uani 1 d U . .
H5 H -0.1196 0.5512 0.3088 0.046 Uiso 1 calc R . .
C6 C -0.1080(4) 0.5342(3) 0.23941(19) 0.0357(12) Uani 1 d U . .
H6 H -0.1631 0.5387 0.2317 0.043 Uiso 1 calc R . .
C7 C -0.3049(4) 0.6683(4) 0.1294(2) 0.0366(13) Uani 1 d U . .
C8 C -0.3658(4) 0.7258(4) 0.1279(2) 0.0411(14) Uani 1 d U . .
H8 H -0.3856 0.7448 0.0988 0.049 Uiso 1 calc R . .
C9 C -0.3973(4) 0.7553(4) 0.1683(2) 0.0482(16) Uani 1 d U . .
H9 H -0.4381 0.7946 0.1668 0.058 Uiso 1 calc R . .
C10 C -0.3699(4) 0.7279(5) 0.2107(3) 0.0529(17) Uani 1 d U . .
H10 H -0.3908 0.7491 0.2384 0.063 Uiso 1 calc R . .
C11 C -0.3120(4) 0.6697(5) 0.2129(2) 0.0522(17) Uani 1 d U . .
H11 H -0.2938 0.6498 0.2422 0.063 Uiso 1 calc R . .
C12 C -0.2800(4) 0.6399(4) 0.1725(2) 0.0451(15) Uani 1 d U . .
H12 H -0.2404 0.5994 0.1744 0.054 Uiso 1 calc R . .
C13 C -0.3254(3) 0.3188(4) 0.1888(2) 0.0365(13) Uani 1 d U . .
C14 C -0.3618(4) 0.3158(4) 0.2312(2) 0.0462(15) Uani 1 d U . .
H14 H -0.3405 0.3458 0.2565 0.055 Uiso 1 calc R . .
C15 C -0.4294(4) 0.2691(5) 0.2372(3) 0.0548(18) Uani 1 d U . .
H15 H -0.4543 0.2681 0.2663 0.066 Uiso 1 calc R . .
C16 C -0.4599(4) 0.2249(5) 0.2013(2) 0.0503(16) Uani 1 d U . .
H16 H -0.5061 0.1931 0.2053 0.060 Uiso 1 calc R . .
C17 C -0.4238(4) 0.2265(4) 0.1596(2) 0.0491(16) Uani 1 d U . .
H17 H -0.4450 0.1955 0.1347 0.059 Uiso 1 calc R . .
C18 C -0.3577(4) 0.2721(4) 0.1533(2) 0.0432(14) Uani 1 d U . .
H18 H -0.3332 0.2719 0.1240 0.052 Uiso 1 calc R . .
C19 C -0.3733(3) 0.3144(4) 0.00920(19) 0.0333(12) Uani 1 d U . .
C20 C -0.4537(4) 0.3054(4) -0.0029(2) 0.0459(15) Uani 1 d U . .
H20 H -0.4821 0.3487 -0.0168 0.055 Uiso 1 calc R . .
C21 C -0.4926(4) 0.2336(4) 0.0054(3) 0.0529(17) Uani 1 d U . .
H21 H -0.5476 0.2286 -0.0023 0.063 Uiso 1 calc R . .
C22 C -0.4520(5) 0.1693(4) 0.0246(2) 0.0517(17) Uani 1 d U . .
H22 H -0.4783 0.1198 0.0292 0.062 Uiso 1 calc R . .
C23 C -0.3738(5) 0.1782(4) 0.0368(2) 0.0510(17) Uani 1 d U . .
H23 H -0.3459 0.1346 0.0507 0.061 Uiso 1 calc R . .
C24 C -0.3336(4) 0.2501(4) 0.0294(2) 0.0417(14) Uani 1 d U . .
H24 H -0.2790 0.2549 0.0383 0.050 Uiso 1 calc R . .
C25 C -0.1466(4) 0.2135(4) 0.0780(2) 0.0431(14) Uani 1 d U . .
C26 C -0.1680(4) 0.1962(4) 0.1225(2) 0.0483(16) Uani 1 d U . .
H26 H -0.1710 0.2377 0.1449 0.058 Uiso 1 calc R . .
C27 C -0.1854(6) 0.1178(5) 0.1348(3) 0.071(2) Uani 1 d U . .
H27 H -0.2001 0.1061 0.1656 0.086 Uiso 1 calc R . .
C28 C -0.1816(8) 0.0568(6) 0.1028(4) 0.100(3) Uani 1 d U . .
H28 H -0.1904 0.0031 0.1120 0.120 Uiso 1 calc R . .
C29 C -0.1649(8) 0.0740(6) 0.0578(4) 0.097(3) Uani 1 d U . .
H29 H -0.1665 0.0331 0.0350 0.116 Uiso 1 calc R . .
C30 C -0.1457(6) 0.1519(4) 0.0456(3) 0.071(2) Uani 1 d U . .
H30 H -0.1317 0.1632 0.0146 0.085 Uiso 1 calc R . .
C31 C 0.2770(3) 0.4348(3) 0.1067(2) 0.0326(12) Uani 1 d U . .
C32 C 0.2980(3) 0.4065(3) 0.0639(2) 0.0349(12) Uani 1 d U . .
H32 H 0.2692 0.4238 0.0371 0.042 Uiso 1 calc R . .
C33 C 0.3599(4) 0.3535(4) 0.0593(3) 0.0470(15) Uani 1 d U . .
H33 H 0.3736 0.3353 0.0294 0.056 Uiso 1 calc R . .
C34 C 0.4024(4) 0.3265(4) 0.0977(3) 0.0515(17) Uani 1 d U . .
H34 H 0.4450 0.2898 0.0945 0.062 Uiso 1 calc R . .
C35 C 0.3819(4) 0.3539(4) 0.1410(3) 0.0512(17) Uani 1 d U . .
H35 H 0.4106 0.3357 0.1677 0.061 Uiso 1 calc R . .
C36 C 0.3197(4) 0.4078(4) 0.1459(2) 0.0416(14) Uani 1 d U . .
H36 H 0.3062 0.4263 0.1758 0.050 Uiso 1 calc R . .
C37A C 0.1133(6) 0.1994(5) 0.03857(15) 0.0359(13) Uani 0.744(7) d PDU A 1
C38A C 0.1863(8) 0.1593(7) 0.0427(3) 0.082(3) Uani 0.744(7) d PDU A 1
H38A H 0.2345 0.1863 0.0363 0.098 Uiso 0.744(7) calc PR A 1
C39A C 0.1875(9) 0.0781(8) 0.0566(4) 0.100(4) Uani 0.744(7) d PDU A 1
H39A H 0.2367 0.0509 0.0608 0.120 Uiso 0.744(7) calc PR A 1
C40A C 0.1165(9) 0.0386(7) 0.0639(3) 0.077(2) Uani 0.744(7) d PDU A 1
H40A H 0.1164 -0.0167 0.0713 0.092 Uiso 0.744(7) calc PR A 1
C41A C 0.0490(7) 0.0789(7) 0.0606(3) 0.071(3) Uani 0.744(7) d PDU A 1
H41A H 0.0001 0.0529 0.0669 0.085 Uiso 0.744(7) calc PR A 1
C42A C 0.0491(7) 0.1601(6) 0.0479(3) 0.063(3) Uani 0.744(7) d PDU A 1
H42A H -0.0004 0.1874 0.0460 0.076 Uiso 0.744(7) calc PR A 1
C37B C 0.1108(7) 0.1913(10) 0.0349(6) 0.0359(13) Uani 0.256(7) d PGDU A 2
C38B C 0.0789(11) 0.1346(12) 0.0045(5) 0.045(5) Uiso 0.256(7) d PGDU A 2
H38B H 0.0586 0.1505 -0.0250 0.054 Uiso 0.256(7) calc PR A 2
C39B C 0.0767(13) 0.0546(11) 0.0175(7) 0.064(5) Uiso 0.256(7) d PGDU A 2
H39B H 0.0548 0.0159 -0.0033 0.077 Uiso 0.256(7) calc PR A 2
C40B C 0.1064(14) 0.0313(11) 0.0608(8) 0.077(2) Uani 0.256(7) d PGDU A 2
H40B H 0.1048 -0.0233 0.0696 0.092 Uiso 0.256(7) calc PR A 2
C41B C 0.1383(16) 0.0880(15) 0.0911(6) 0.086(6) Uiso 0.256(7) d PGDU A 2
H41B H 0.1586 0.0721 0.1207 0.103 Uiso 0.256(7) calc PR A 2
C42B C 0.1405(13) 0.1680(14) 0.0782(6) 0.068(5) Uiso 0.256(7) d PGDU A 2
H42B H 0.1623 0.2067 0.0989 0.081 Uiso 0.256(7) calc PR A 2
C43 C 0.0881(4) 0.7730(3) 0.1323(2) 0.0367(13) Uani 1 d U . .
C44 C 0.1006(5) 0.8424(4) 0.1588(2) 0.0487(16) Uani 1 d U . .
H44 H 0.0891 0.8935 0.1459 0.058 Uiso 1 calc R . .
C45 C 0.1297(5) 0.8358(4) 0.2039(2) 0.0572(19) Uani 1 d U . .
H45 H 0.1392 0.8831 0.2213 0.069 Uiso 1 calc R . .
C46 C 0.1453(5) 0.7638(4) 0.2241(2) 0.0532(17) Uani 1 d U . .
H46 H 0.1652 0.7608 0.2551 0.064 Uiso 1 calc R . .
C47 C 0.1314(4) 0.6958(4) 0.1987(2) 0.0441(15) Uani 1 d U . .
H47 H 0.1415 0.6451 0.2124 0.053 Uiso 1 calc R . .
C48 C 0.1031(4) 0.6999(4) 0.1534(2) 0.0401(14) Uani 1 d U . .
H48 H 0.0937 0.6520 0.1365 0.048 Uiso 1 calc R . .
C49 C -0.4475(4) 0.5059(5) 0.0755(2) 0.0517(17) Uani 1 d DU . .
H49A H -0.4708 0.4597 0.0586 0.062 Uiso 1 calc R . .
H49B H -0.4244 0.5430 0.0528 0.062 Uiso 1 calc R . .
C50 C -0.5099(4) 0.5474(5) 0.1027(2) 0.0588(19) Uani 1 d DU . .
H50A H -0.5141 0.6042 0.0934 0.071 Uiso 1 calc R . .
H50B H -0.5624 0.5216 0.0974 0.071 Uiso 1 calc R . .
C51 C -0.4847(4) 0.5409(4) 0.1521(2) 0.0512(16) Uani 1 d DU . .
H51A H -0.5305 0.5276 0.1717 0.061 Uiso 1 calc R . .
H51B H -0.4604 0.5914 0.1633 0.061 Uiso 1 calc R . .
C52 C -0.4243(4) 0.4738(5) 0.1526(2) 0.0509(17) Uani 1 d DU . .
H52A H -0.3850 0.4809 0.1784 0.061 Uiso 1 calc R . .
H52B H -0.4508 0.4214 0.1561 0.061 Uiso 1 calc R . .
C53 C 0.1293(4) 0.3176(4) 0.1525(2) 0.0468(16) Uani 1 d U . .
H53A H 0.1537 0.3513 0.1772 0.056 Uiso 1 calc R . .
H53B H 0.1664 0.3143 0.1265 0.056 Uiso 1 calc R . .
C54 C 0.1105(4) 0.2335(4) 0.1711(3) 0.0551(18) Uani 1 d U . .
H54A H 0.1258 0.1918 0.1488 0.066 Uiso 1 calc R . .
H54B H 0.1389 0.2237 0.2010 0.066 Uiso 1 calc R . .
C55 C 0.0201(4) 0.2343(4) 0.1774(3) 0.0519(17) Uani 1 d U . .
H55A H -0.0068 0.1982 0.1548 0.062 Uiso 1 calc R . .
H55B H 0.0066 0.2174 0.2091 0.062 Uiso 1 calc R . .
C56 C -0.0040(4) 0.3188(4) 0.1689(2) 0.0385(13) Uani 1 d U . .
H56A H -0.0585 0.3214 0.1552 0.046 Uiso 1 calc R . .
H56B H -0.0026 0.3495 0.1983 0.046 Uiso 1 calc R . .
C57 C 0.3118(4) 0.6961(5) 0.1167(3) 0.0591(19) Uani 1 d U . .
H57A H 0.3478 0.6571 0.1022 0.071 Uiso 1 calc R . .
H57B H 0.2859 0.6706 0.1433 0.071 Uiso 1 calc R . .
C58 C 0.3573(6) 0.7726(6) 0.1317(3) 0.080(3) Uani 1 d U . .
H58A H 0.3353 0.7949 0.1605 0.095 Uiso 1 calc R . .
H58B H 0.4146 0.7610 0.1372 0.095 Uiso 1 calc R . .
C59 C 0.3459(5) 0.8288(6) 0.0927(3) 0.072(2) Uani 1 d U . .
H59A H 0.3521 0.8849 0.1031 0.086 Uiso 1 calc R . .
H59B H 0.3840 0.8180 0.0678 0.086 Uiso 1 calc R . .
C60 C 0.2637(5) 0.8123(4) 0.0771(3) 0.0558(18) Uani 1 d U . .
H60A H 0.2255 0.8425 0.0959 0.067 Uiso 1 calc R . .
H60B H 0.2556 0.8272 0.0441 0.067 Uiso 1 calc R . .
C61 C -0.0952(4) 0.7381(4) 0.1910(2) 0.0459(15) Uani 1 d U . .
H61A H -0.0387 0.7259 0.1985 0.055 Uiso 1 calc R . .
H61B H -0.1288 0.6973 0.2057 0.055 Uiso 1 calc R . .
C62 C -0.1156(7) 0.8185(5) 0.2081(3) 0.083(3) Uani 1 d U . .
H62A H -0.1579 0.8156 0.2313 0.100 Uiso 1 calc R . .
H62B H -0.0684 0.8453 0.2222 0.100 Uiso 1 calc R . .
C63 C -0.1430(10) 0.8597(7) 0.1673(4) 0.130(4) Uani 1 d U . .
H63A H -0.1969 0.8811 0.1728 0.156 Uiso 1 calc R . .
H63B H -0.1074 0.9058 0.1620 0.156 Uiso 1 calc R . .
C64 C -0.1461(5) 0.8134(4) 0.1277(2) 0.0528(17) Uani 1 d U . .
H64A H -0.1166 0.8393 0.1025 0.063 Uiso 1 calc R . .
H64B H -0.2019 0.8050 0.1171 0.063 Uiso 1 calc R . .
O6 O 0.2646(5) 0.5081(6) 0.2697(4) 0.112(3) Uani 0.858(9) d PDU . .
C601 C 0.3209(8) 0.5658(7) 0.2485(5) 0.119(4) Uani 0.858(9) d PDU . .
H60C H 0.3182 0.5630 0.2142 0.142 Uiso 0.858(9) calc PR . .
H60D H 0.3101 0.6213 0.2585 0.142 Uiso 0.858(9) calc PR . .
C602 C 0.3986(7) 0.5371(7) 0.2670(5) 0.101(4) Uani 0.858(9) d PDU . .
H60E H 0.4421 0.5548 0.2469 0.121 Uiso 0.858(9) calc PR . .
H60F H 0.4088 0.5583 0.2986 0.121 Uiso 0.858(9) calc PR . .
C603 C 0.3943(7) 0.4536(7) 0.2680(5) 0.101(4) Uani 0.858(9) d PDU . .
H60G H 0.4274 0.4315 0.2938 0.122 Uiso 0.858(9) calc PR . .
H60H H 0.4123 0.4304 0.2385 0.122 Uiso 0.858(9) calc PR . .
C604 C 0.3083(7) 0.4367(8) 0.2748(6) 0.112(4) Uani 0.858(9) d PDU . .
H60I H 0.2891 0.3969 0.2518 0.134 Uiso 0.858(9) calc PR . .
H60J H 0.3008 0.4144 0.3062 0.134 Uiso 0.858(9) calc PR . .
O7 O 0.2704(4) 0.0840(5) 0.1812(3) 0.087(2) Uani 0.885(9) d PDU . .
C701 C 0.3009(6) 0.0039(6) 0.1891(4) 0.083(3) Uani 0.885(9) d PDU . .
H70A H 0.2773 -0.0339 0.1662 0.100 Uiso 0.885(9) calc PR . .
H70B H 0.2882 -0.0148 0.2206 0.100 Uiso 0.885(9) calc PR . .
C702 C 0.3886(6) 0.0093(7) 0.1837(4) 0.088(3) Uani 0.885(9) d PDU . .
H70C H 0.4119 -0.0432 0.1759 0.105 Uiso 0.885(9) calc PR . .
H70D H 0.4153 0.0307 0.2120 0.105 Uiso 0.885(9) calc PR . .
C703 C 0.3933(7) 0.0665(7) 0.1443(4) 0.109(4) Uani 0.885(9) d PDU . .
H70E H 0.3825 0.0396 0.1142 0.131 Uiso 0.885(9) calc PR . .
H70F H 0.4459 0.0930 0.1437 0.131 Uiso 0.885(9) calc PR . .
C704 C 0.3262(7) 0.1266(7) 0.1560(4) 0.103(4) Uani 0.885(9) d PDU . .
H70G H 0.3480 0.1716 0.1746 0.123 Uiso 0.885(9) calc PR . .
H70H H 0.3014 0.1483 0.1272 0.123 Uiso 0.885(9) calc PR . .
O8 O 0.4306(8) 0.4628(7) 0.4689(5) 0.164(5) Uani 0.876(10) d PDU . .
C801 C 0.3585(8) 0.4424(9) 0.4912(5) 0.133(5) Uani 0.876(10) d PDU . .
H80A H 0.3277 0.4905 0.4994 0.160 Uiso 0.876(10) calc PR . .
H80B H 0.3689 0.4099 0.5193 0.160 Uiso 0.876(10) calc PR . .
C802 C 0.3167(9) 0.3944(9) 0.4537(5) 0.134(5) Uani 0.876(10) d PDU . .
H80C H 0.3324 0.3374 0.4552 0.161 Uiso 0.876(10) calc PR . .
H80D H 0.2581 0.3985 0.4560 0.161 Uiso 0.876(10) calc PR . .
C803 C 0.3442(10) 0.4321(11) 0.4106(6) 0.154(6) Uani 0.876(10) d PDU . .
H80E H 0.3174 0.4839 0.4047 0.185 Uiso 0.876(10) calc PR . .
H80F H 0.3354 0.3967 0.3835 0.185 Uiso 0.876(10) calc PR . .
C804 C 0.4326(10) 0.4431(12) 0.4219(6) 0.163(6) Uani 0.876(10) d PDU . .
H80G H 0.4629 0.3932 0.4168 0.196 Uiso 0.876(10) calc PR . .
H80H H 0.4558 0.4868 0.4034 0.196 Uiso 0.876(10) calc PR . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pr Pr -0.2180 2.8214 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O2 Pr1 Se4 83.01(9) . .
O2 Pr1 Se3 79.04(10) . .
Se4 Pr1 Se3 122.42(2) . .
O2 Pr1 Se5 81.53(9) . .
Se4 Pr1 Se5 136.41(2) . .
Se3 Pr1 Se5 94.082(17) . .
O2 Pr1 Se1 142.84(9) . .
Se4 Pr1 Se1 132.563(19) . .
Se3 Pr1 Se1 72.414(16) . .
Se5 Pr1 Se1 77.365(17) . .
O2 Pr1 Se2 130.14(10) . .
Se4 Pr1 Se2 69.631(17) . .
Se3 Pr1 Se2 81.739(16) . .
Se5 Pr1 Se2 145.650(18) . .
Se1 Pr1 Se2 68.839(16) . .
O2 Pr1 Se6 142.23(10) . .
Se4 Pr1 Se6 86.868(18) . .
Se3 Pr1 Se6 135.470(18) . .
Se5 Pr1 Se6 81.134(17) . .
Se1 Pr1 Se6 63.302(16) . .
Se2 Pr1 Se6 78.479(16) . .
O1 Pr2 O3 131.03(12) . .
O1 Pr2 Se7 68.26(8) . .
O3 Pr2 Se7 78.88(9) . .
O1 Pr2 Se1 73.45(8) . .
O3 Pr2 Se1 130.29(9) . .
Se7 Pr2 Se1 141.692(17) . .
O1 Pr2 Se8 134.71(9) . .
O3 Pr2 Se8 80.37(9) . .
Se7 Pr2 Se8 93.120(18) . .
Se1 Pr2 Se8 113.702(16) . .
O1 Pr2 Se2 73.80(9) . .
O3 Pr2 Se2 78.11(9) . .
Se7 Pr2 Se2 100.796(17) . .
Se1 Pr2 Se2 68.630(15) . .
Se8 Pr2 Se2 151.486(17) . .
O1 Pr2 Se1 71.33(8) . 3_565
O3 Pr2 Se1 139.91(9) . 3_565
Se7 Pr2 Se1 82.671(16) . 3_565
Se1 Pr2 Se1 84.400(16) . 3_565
Se8 Pr2 Se1 65.380(15) . 3_565
Se2 Pr2 Se1 140.695(16) . 3_565
O1 Pr2 Se6 130.53(9) . .
O3 Pr2 Se6 76.76(9) . .
Se7 Pr2 Se6 155.627(16) . .
Se1 Pr2 Se6 59.843(15) . .
Se8 Pr2 Se6 82.206(17) . .
Se2 Pr2 Se6 74.841(16) . .
Se1 Pr2 Se6 116.198(15) 3_565 .
O1 Pr2 Pr3 30.78(9) . .
O3 Pr2 Pr3 129.01(9) . .
Se7 Pr2 Pr3 50.599(12) . .
Se1 Pr2 Pr3 94.328(13) . .
Se8 Pr2 Pr3 105.725(15) . .
Se2 Pr2 Pr3 102.327(14) . .
Se1 Pr2 Pr3 50.211(11) 3_565 .
Se6 Pr2 Pr3 153.564(12) . .
O1 Pr2 Pr4 30.89(9) . .
O3 Pr2 Pr4 125.72(9) . .
Se7 Pr2 Pr4 94.044(14) . .
Se1 Pr2 Pr4 50.181(11) . .
Se8 Pr2 Pr4 153.837(13) . .
Se2 Pr2 Pr4 50.164(11) . .
Se1 Pr2 Pr4 90.653(12) 3_565 .
Se6 Pr2 Pr4 100.651(14) . .
Pr3 Pr2 Pr4 61.237(10) . .
O1 Pr3 O4 129.66(13) . .
O1 Pr3 Se1 74.46(9) . 3_565
O4 Pr3 Se1 150.85(11) . 3_565
O1 Pr3 Se7 69.39(9) . .
O4 Pr3 Se7 89.49(11) . .
Se1 Pr3 Se7 84.729(17) 3_565 .
O1 Pr3 Se6 106.76(8) . 3_565
O4 Pr3 Se6 113.67(10) . 3_565
Se1 Pr3 Se6 64.135(15) 3_565 3_565
Se7 Pr3 Se6 147.930(18) . 3_565
O1 Pr3 Se9 75.93(9) . .
O4 Pr3 Se9 76.58(11) . .
Se1 Pr3 Se9 130.591(18) 3_565 .
Se7 Pr3 Se9 119.756(19) . .
Se6 Pr3 Se9 88.281(17) 3_565 .
O1 Pr3 Se5 141.57(9) . 3_565
O4 Pr3 Se5 75.43(11) . 3_565
Se1 Pr3 Se5 75.575(16) 3_565 3_565
Se7 Pr3 Se5 84.450(17) . 3_565
Se6 Pr3 Se5 80.659(17) 3_565 3_565
Se9 Pr3 Se5 142.498(18) . 3_565
O1 Pr3 Pr2 32.00(9) . .
O4 Pr3 Pr2 137.75(10) . .
Se1 Pr3 Pr2 52.677(12) 3_565 .
Se7 Pr3 Pr2 50.973(12) . .
Se6 Pr3 Pr2 108.491(13) 3_565 .
Se9 Pr3 Pr2 107.910(16) . .
Se5 Pr3 Pr2 109.586(15) 3_565 .
O1 Pr3 Pr4 27.97(9) . .
O4 Pr3 Pr4 117.89(11) . .
Se1 Pr3 Pr4 90.976(13) 3_565 .
Se7 Pr3 Pr4 92.970(14) . .
Se6 Pr3 Pr4 94.948(14) 3_565 .
Se9 Pr3 Pr4 49.279(13) . .
Se5 Pr3 Pr4 166.470(14) 3_565 .
Pr2 Pr3 Pr4 59.493(8) . .
O1 Pr4 O5 129.03(13) . .
O1 Pr4 Se8 103.14(8) . 3_565
O5 Pr4 Se8 120.18(9) . 3_565
O1 Pr4 Se1 75.08(9) . .
O5 Pr4 Se1 143.43(11) . .
Se8 Pr4 Se1 68.109(16) 3_565 .
O1 Pr4 Se9 77.47(9) . .
O5 Pr4 Se9 79.84(11) . .
Se8 Pr4 Se9 86.203(18) 3_565 .
Se1 Pr4 Se9 136.357(19) . .
O1 Pr4 Se2 76.27(9) . .
O5 Pr4 Se2 88.05(10) . .
Se8 Pr4 Se2 136.705(18) 3_565 .
Se1 Pr4 Se2 70.121(16) . .
Se9 Pr4 Se2 133.728(18) . .
O1 Pr4 Se3 142.82(9) . .
O5 Pr4 Se3 77.88(10) . .
Se8 Pr4 Se3 75.317(16) 3_565 .
Se1 Pr4 Se3 69.949(16) . .
Se9 Pr4 Se3 138.177(19) . .
Se2 Pr4 Se3 80.301(16) . .
O1 Pr4 Pr2 31.93(9) . .
O5 Pr4 Pr2 133.52(9) . .
Se8 Pr4 Pr2 106.049(14) 3_565 .
Se1 Pr4 Pr2 51.047(12) . .
Se9 Pr4 Pr2 109.370(17) . .
Se2 Pr4 Pr2 51.938(12) . .
Se3 Pr4 Pr2 111.687(14) . .
O1 Pr4 Pr3 27.82(9) . .
O5 Pr4 Pr3 120.34(10) . .
Se8 Pr4 Pr3 91.294(14) 3_565 .
Se1 Pr4 Pr3 93.417(13) . .
Se9 Pr4 Pr3 50.991(14) . .
Se2 Pr4 Pr3 102.096(13) . .
Se3 Pr4 Pr3 161.516(14) . .
Pr2 Pr4 Pr3 59.270(8) . .
Pr4 Se1 Pr1 93.356(16) . .
Pr4 Se1 Pr3 173.61(2) . 3_565
Pr1 Se1 Pr3 92.860(16) . 3_565
Pr4 Se1 Pr2 78.772(14) . .
Pr1 Se1 Pr2 101.945(17) . .
Pr3 Se1 Pr2 101.346(17) 3_565 .
Pr4 Se1 Pr2 96.508(16) . 3_565
Pr1 Se1 Pr2 161.255(19) . 3_565
Pr3 Se1 Pr2 77.115(14) 3_565 3_565
Pr2 Se1 Pr2 95.600(16) . 3_565
C1 Se2 Pr4 119.15(16) . .
C1 Se2 Pr2 118.45(17) . .
Pr4 Se2 Pr2 77.898(15) . .
C1 Se2 Pr1 135.08(17) . .
Pr4 Se2 Pr1 91.240(15) . .
Pr2 Se2 Pr1 98.676(17) . .
C7 Se3 Pr1 102.08(18) . .
C7 Se3 Pr4 112.06(19) . .
Pr1 Se3 Pr4 90.556(16) . .
C13 Se4 Pr1 108.76(17) . .
C19 Se5 Pr1 103.22(16) . .
C19 Se5 Pr3 105.71(18) . 3_565
Pr1 Se5 Pr3 91.387(17) . 3_565
C25 Se6 Pr3 117.26(19) . 3_565
C25 Se6 Pr1 117.9(2) . .
Pr3 Se6 Pr1 90.443(16) 3_565 .
C25 Se6 Pr2 134.24(19) . .
Pr3 Se6 Pr2 93.826(16) 3_565 .
Pr1 Se6 Pr2 92.729(17) . .
C31 Se7 Pr3 120.18(17) . .
C31 Se7 Pr2 112.68(16) . .
Pr3 Se7 Pr2 78.428(15) . .
C37A Se8 C37B 4.1(6) . .
C37A Se8 Pr4 117.76(13) . 3_565
C37B Se8 Pr4 113.7(5) . 3_565
C37A Se8 Pr2 124.7(2) . .
C37B Se8 Pr2 127.2(3) . .
Pr4 Se8 Pr2 99.119(17) 3_565 .
C43 Se9 Pr4 93.66(18) . .
C43 Se9 Pr3 90.50(18) . .
Pr4 Se9 Pr3 79.730(17) . .
Pr3 O1 Pr4 124.22(16) . .
Pr3 O1 Pr2 117.22(15) . .
Pr4 O1 Pr2 117.19(15) . .
C52 O2 C49 106.1(5) . .
C52 O2 Pr1 129.8(4) . .
C49 O2 Pr1 124.0(3) . .
C53 O3 C56 105.1(4) . .
C53 O3 Pr2 124.8(3) . .
C56 O3 Pr2 130.1(3) . .
C57 O4 C60 110.4(5) . .
C57 O4 Pr3 121.6(4) . .
C60 O4 Pr3 128.0(4) . .
C64 O5 C61 108.4(5) . .
C64 O5 Pr4 116.0(4) . .
C61 O5 Pr4 134.9(3) . .
C6 C1 C2 119.5(5) . .
C6 C1 Se2 121.9(4) . .
C2 C1 Se2 118.7(4) . .
C3 C2 C1 119.5(6) . .
C4 C3 C2 120.6(6) . .
C5 C4 C3 119.9(5) . .
C4 C5 C6 120.1(6) . .
C1 C6 C5 120.5(6) . .
C12 C7 C8 117.7(6) . .
C12 C7 Se3 122.3(5) . .
C8 C7 Se3 119.9(5) . .
C9 C8 C7 120.8(6) . .
C10 C9 C8 120.3(6) . .
C9 C10 C11 119.8(6) . .
C10 C11 C12 120.1(7) . .
C7 C12 C11 121.1(6) . .
C14 C13 C18 117.3(6) . .
C14 C13 Se4 119.7(5) . .
C18 C13 Se4 123.0(5) . .
C13 C14 C15 120.7(6) . .
C16 C15 C14 120.2(7) . .
C17 C16 C15 119.6(7) . .
C16 C17 C18 120.8(7) . .
C17 C18 C13 121.3(6) . .
C24 C19 C20 118.3(6) . .
C24 C19 Se5 121.5(4) . .
C20 C19 Se5 120.2(5) . .
C21 C20 C19 120.4(7) . .
C22 C21 C20 120.8(7) . .
C23 C22 C21 118.9(7) . .
C22 C23 C24 121.4(7) . .
C19 C24 C23 120.1(6) . .
C26 C25 C30 118.6(6) . .
C26 C25 Se6 121.0(5) . .
C30 C25 Se6 120.2(5) . .
C25 C26 C27 119.9(7) . .
C28 C27 C26 120.9(8) . .
C29 C28 C27 119.6(8) . .
C28 C29 C30 119.5(10) . .
C29 C30 C25 121.2(8) . .
C32 C31 C36 118.5(6) . .
C32 C31 Se7 122.5(4) . .
C36 C31 Se7 119.0(5) . .
C33 C32 C31 121.3(6) . .
C32 C33 C34 120.7(7) . .
C33 C34 C35 118.8(6) . .
C34 C35 C36 120.8(6) . .
C35 C36 C31 119.9(6) . .
C42A C37A C38A 118.0(10) . .
C42A C37A Se8 125.6(8) . .
C38A C37A Se8 116.4(8) . .
C37A C38A C39A 119.3(12) . .
C40A C39A C38A 119.7(13) . .
C41A C40A C39A 119.1(12) . .
C40A C41A C42A 120.3(12) . .
C37A C42A C41A 123.4(11) . .
C38B C37B C42B 120.0 . .
C38B C37B Se8 124.0(10) . .
C42B C37B Se8 116.0(10) . .
C39B C38B C37B 120.0 . .
C38B C39B C40B 120.0 . .
C39B C40B C41B 120.0 . .
C40B C41B C42B 120.0 . .
C41B C42B C37B 120.0 . .
C48 C43 C44 117.9(6) . .
C48 C43 Se9 122.5(4) . .
C44 C43 Se9 119.5(5) . .
C45 C44 C43 119.4(6) . .
C46 C45 C44 122.3(6) . .
C45 C46 C47 118.4(6) . .
C46 C47 C48 121.0(6) . .
C47 C48 C43 120.9(6) . .
O2 C49 C50 107.0(5) . .
C51 C50 C49 106.4(5) . .
C50 C51 C52 103.9(6) . .
O2 C52 C51 105.0(5) . .
O3 C53 C54 105.5(5) . .
C55 C54 C53 104.2(5) . .
C56 C55 C54 104.8(6) . .
O3 C56 C55 105.5(5) . .
O4 C57 C58 102.7(7) . .
C59 C58 C57 104.9(6) . .
C60 C59 C58 102.6(7) . .
O4 C60 C59 105.1(7) . .
O5 C61 C62 107.3(6) . .
C63 C62 C61 103.7(7) . .
C64 C63 C62 114.6(8) . .
C63 C64 O5 105.3(7) . .
C604 O6 C601 104.9(9) . .
C602 C601 O6 101.8(9) . .
C603 C602 C601 106.6(10) . .
C602 C603 C604 104.0(10) . .
O6 C604 C603 109.3(10) . .
C704 O7 C701 108.2(8) . .
O7 C701 C702 105.9(8) . .
C701 C702 C703 101.0(9) . .
C702 C703 C704 101.4(8) . .
O7 C704 C703 106.4(9) . .
C804 O8 C801 115.0(12) . .
O8 C801 C802 101.0(11) . .
C803 C802 C801 103.2(12) . .
C802 C803 C804 101.3(12) . .
O8 C804 C803 100.9(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pr1 O2 2.508(4) .
Pr1 Se4 2.9141(6) .
Pr1 Se3 3.0008(7) .
Pr1 Se5 3.0102(6) .
Pr1 Se1 3.0231(6) .
Pr1 Se2 3.1218(6) .
Pr1 Se6 3.1299(7) .
Pr2 O1 2.293(3) .
Pr2 O3 2.509(3) .
Pr2 Se7 3.0508(6) .
Pr2 Se1 3.0574(6) .
Pr2 Se8 3.0692(6) .
Pr2 Se2 3.1052(6) .
Pr2 Se1 3.1387(6) 3_565
Pr2 Se6 3.3919(6) .
Pr2 Pr3 3.8474(5) .
Pr2 Pr4 3.8563(5) .
Pr3 O1 2.214(3) .
Pr3 O4 2.526(4) .
Pr3 Se1 3.0328(6) 3_565
Pr3 Se7 3.0346(6) .
Pr3 Se6 3.0509(6) 3_565
Pr3 Se9 3.0984(7) .
Pr3 Se5 3.1203(7) 3_565
Pr3 Pr4 3.9236(5) .
Pr4 O1 2.225(3) .
Pr4 O5 2.470(4) .
Pr4 Se8 2.9680(6) 3_565
Pr4 Se1 3.0197(6) .
Pr4 Se9 3.0221(7) .
Pr4 Se2 3.0285(6) .
Pr4 Se3 3.1837(7) .
Se1 Pr3 3.0327(6) 3_565
Se1 Pr2 3.1386(6) 3_565
Se2 C1 1.929(5) .
Se3 C7 1.913(6) .
Se4 C13 1.912(6) .
Se5 C19 1.928(6) .
Se5 Pr3 3.1202(7) 3_565
Se6 C25 1.947(6) .
Se6 Pr3 3.0508(6) 3_565
Se7 C31 1.912(6) .
Se8 C37A 1.903(9) .
Se8 C37B 2.012(17) .
Se8 Pr4 2.9681(6) 3_565
Se9 C43 1.929(6) .
O2 C52 1.439(7) .
O2 C49 1.457(7) .
O3 C53 1.447(7) .
O3 C56 1.452(7) .
O4 C57 1.447(8) .
O4 C60 1.459(8) .
O5 C64 1.449(7) .
O5 C61 1.464(7) .
C1 C6 1.383(8) .
C1 C2 1.395(8) .
C2 C3 1.392(7) .
C3 C4 1.380(9) .
C4 C5 1.377(9) .
C5 C6 1.389(8) .
C7 C12 1.387(8) .
C7 C8 1.405(8) .
C8 C9 1.385(9) .
C9 C10 1.376(10) .
C10 C11 1.377(10) .
C11 C12 1.391(9) .
C13 C14 1.381(8) .
C13 C18 1.390(9) .
C14 C15 1.393(9) .
C15 C16 1.363(10) .
C16 C17 1.360(10) .
C17 C18 1.364(9) .
C19 C24 1.388(9) .
C19 C20 1.395(8) .
C20 C21 1.392(9) .
C21 C22 1.382(11) .
C22 C23 1.361(10) .
C23 C24 1.399(9) .
C25 C26 1.374(9) .
C25 C30 1.393(10) .
C26 C27 1.393(10) .
C27 C28 1.377(14) .
C28 C29 1.367(14) .
C29 C30 1.389(11) .
C31 C32 1.378(8) .
C31 C36 1.400(8) .
C32 C33 1.376(9) .
C33 C34 1.380(9) .
C34 C35 1.383(10) .
C35 C36 1.390(10) .
C37A C42A 1.298(14) .
C37A C38A 1.401(15) .
C38A C39A 1.416(17) .
C39A C40A 1.38(2) .
C40A C41A 1.321(18) .
C41A C42A 1.407(14) .
C37B C38B 1.3900 .
C37B C42B 1.3900 .
C38B C39B 1.3900 .
C39B C40B 1.3900 .
C40B C41B 1.3900 .
C41B C42B 1.3900 .
C43 C48 1.387(9) .
C43 C44 1.402(8) .
C44 C45 1.384(10) .
C45 C46 1.361(10) .
C46 C47 1.372(9) .
C47 C48 1.382(8) .
C49 C50 1.497(9) .
C50 C51 1.483(9) .
C51 C52 1.513(9) .
C53 C54 1.542(9) .
C54 C55 1.535(10) .
C55 C56 1.488(9) .
C57 C58 1.548(11) .
C58 C59 1.477(13) .
C59 C60 1.468(11) .
C61 C62 1.476(10) .
C62 C63 1.430(13) .
C63 C64 1.381(12) .
O6 C604 1.408(12) .
O6 C601 1.493(12) .
C601 C602 1.479(13) .
C602 C603 1.400(13) .
C603 C604 1.491(13) .
O7 C704 1.397(10) .
O7 C701 1.452(11) .
C701 C702 1.487(11) .
C702 C703 1.490(13) .
C703 C704 1.553(13) .
O8 C804 1.399(13) .
O8 C801 1.427(13) .
C801 C802 1.508(13) .
C802 C803 1.478(14) .
C803 C804 1.525(15) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O3 Pr2 Pr3 O1 -106.90(19) . .
Se7 Pr2 Pr3 O1 -116.25(15) . .
Se1 Pr2 Pr3 O1 46.74(15) . .
Se8 Pr2 Pr3 O1 162.85(15) . .
Se2 Pr2 Pr3 O1 -22.32(15) . .
Se1 Pr2 Pr3 O1 125.76(15) 3_565 .
Se6 Pr2 Pr3 O1 58.38(16) . .
Pr4 Pr2 Pr3 O1 7.46(15) . .
O1 Pr2 Pr3 O4 91.7(2) . .
O3 Pr2 Pr3 O4 -15.2(2) . .
Se7 Pr2 Pr3 O4 -24.57(16) . .
Se1 Pr2 Pr3 O4 138.42(16) . .
Se8 Pr2 Pr3 O4 -105.47(16) . .
Se2 Pr2 Pr3 O4 69.37(16) . .
Se1 Pr2 Pr3 O4 -142.56(16) 3_565 .
Se6 Pr2 Pr3 O4 150.06(16) . .
Pr4 Pr2 Pr3 O4 99.14(16) . .
O1 Pr2 Pr3 Se1 -125.76(15) . 3_565
O3 Pr2 Pr3 Se1 127.34(12) . 3_565
Se7 Pr2 Pr3 Se1 117.99(2) . 3_565
Se1 Pr2 Pr3 Se1 -79.025(19) . 3_565
Se8 Pr2 Pr3 Se1 37.086(16) . 3_565
Se2 Pr2 Pr3 Se1 -148.077(17) . 3_565
Se6 Pr2 Pr3 Se1 -67.38(3) . 3_565
Pr4 Pr2 Pr3 Se1 -118.299(14) . 3_565
O1 Pr2 Pr3 Se7 116.25(15) . .
O3 Pr2 Pr3 Se7 9.35(12) . .
Se1 Pr2 Pr3 Se7 162.986(19) . .
Se8 Pr2 Pr3 Se7 -80.90(2) . .
Se2 Pr2 Pr3 Se7 93.935(19) . .
Se1 Pr2 Pr3 Se7 -117.99(2) 3_565 .
Se6 Pr2 Pr3 Se7 174.63(3) . .
Pr4 Pr2 Pr3 Se7 123.712(17) . .
O1 Pr2 Pr3 Se6 -92.21(15) . 3_565
O3 Pr2 Pr3 Se6 160.89(12) . 3_565
Se7 Pr2 Pr3 Se6 151.54(2) . 3_565
Se1 Pr2 Pr3 Se6 -45.477(18) . 3_565
Se8 Pr2 Pr3 Se6 70.634(19) . 3_565
Se2 Pr2 Pr3 Se6 -114.528(18) . 3_565
Se1 Pr2 Pr3 Se6 33.548(18) 3_565 3_565
Se6 Pr2 Pr3 Se6 -33.83(4) . 3_565
Pr4 Pr2 Pr3 Se6 -84.751(15) . 3_565
O1 Pr2 Pr3 Se9 2.08(15) . .
O3 Pr2 Pr3 Se9 -104.82(12) . .
Se7 Pr2 Pr3 Se9 -114.17(2) . .
Se1 Pr2 Pr3 Se9 48.816(18) . .
Se8 Pr2 Pr3 Se9 164.927(17) . .
Se2 Pr2 Pr3 Se9 -20.236(18) . .
Se1 Pr2 Pr3 Se9 127.841(19) 3_565 .
Se6 Pr2 Pr3 Se9 60.46(3) . .
Pr4 Pr2 Pr3 Se9 9.541(14) . .
O1 Pr2 Pr3 Se5 -178.62(15) . 3_565
O3 Pr2 Pr3 Se5 74.48(12) . 3_565
Se7 Pr2 Pr3 Se5 65.130(19) . 3_565
Se1 Pr2 Pr3 Se5 -131.884(16) . 3_565
Se8 Pr2 Pr3 Se5 -15.773(18) . 3_565
Se2 Pr2 Pr3 Se5 159.064(15) . 3_565
Se1 Pr2 Pr3 Se5 -52.859(17) 3_565 3_565
Se6 Pr2 Pr3 Se5 -120.24(3) . 3_565
Pr4 Pr2 Pr3 Se5 -171.159(14) . 3_565
O1 Pr2 Pr3 Pr4 -7.46(15) . .
O3 Pr2 Pr3 Pr4 -114.36(12) . .
Se7 Pr2 Pr3 Pr4 -123.712(17) . .
Se1 Pr2 Pr3 Pr4 39.274(12) . .
Se8 Pr2 Pr3 Pr4 155.385(14) . .
Se2 Pr2 Pr3 Pr4 -29.777(11) . .
Se1 Pr2 Pr3 Pr4 118.299(14) 3_565 .
Se6 Pr2 Pr3 Pr4 50.92(3) . .
O3 Pr2 Pr4 O1 111.89(19) . .
Se7 Pr2 Pr4 O1 32.68(15) . .
Se1 Pr2 Pr4 O1 -132.17(15) . .
Se8 Pr2 Pr4 O1 -72.84(16) . .
Se2 Pr2 Pr4 O1 133.38(15) . .
Se1 Pr2 Pr4 O1 -50.02(15) 3_565 .
Se6 Pr2 Pr4 O1 -166.85(15) . .
Pr3 Pr2 Pr4 O1 -7.44(15) . .
O1 Pr2 Pr4 O5 -96.8(2) . .
O3 Pr2 Pr4 O5 15.09(18) . .
Se7 Pr2 Pr4 O5 -64.11(15) . .
Se1 Pr2 Pr4 O5 131.04(15) . .
Se8 Pr2 Pr4 O5 -169.64(15) . .
Se2 Pr2 Pr4 O5 36.58(15) . .
Se1 Pr2 Pr4 O5 -146.81(15) 3_565 .
Se6 Pr2 Pr4 O5 96.36(15) . .
Pr3 Pr2 Pr4 O5 -104.23(15) . .
O1 Pr2 Pr4 Se8 89.18(15) . 3_565
O3 Pr2 Pr4 Se8 -158.94(11) . 3_565
Se7 Pr2 Pr4 Se8 121.859(18) . 3_565
Se1 Pr2 Pr4 Se8 -42.991(18) . 3_565
Se8 Pr2 Pr4 Se8 16.33(4) . 3_565
Se2 Pr2 Pr4 Se8 -137.45(2) . 3_565
Se1 Pr2 Pr4 Se8 39.160(18) 3_565 3_565
Se6 Pr2 Pr4 Se8 -77.672(18) . 3_565
Pr3 Pr2 Pr4 Se8 81.740(15) . 3_565
O1 Pr2 Pr4 Se1 132.17(15) . .
O3 Pr2 Pr4 Se1 -115.94(11) . .
Se7 Pr2 Pr4 Se1 164.851(18) . .
Se8 Pr2 Pr4 Se1 59.33(4) . .
Se2 Pr2 Pr4 Se1 -94.46(2) . .
Se1 Pr2 Pr4 Se1 82.152(19) 3_565 .
Se6 Pr2 Pr4 Se1 -34.681(16) . .
Pr3 Pr2 Pr4 Se1 124.731(15) . .
O1 Pr2 Pr4 Se9 -2.43(15) . .
O3 Pr2 Pr4 Se9 109.45(11) . .
Se7 Pr2 Pr4 Se9 30.250(19) . .
Se1 Pr2 Pr4 Se9 -134.60(2) . .
Se8 Pr2 Pr4 Se9 -75.28(4) . .
Se2 Pr2 Pr4 Se9 130.94(2) . .
Se1 Pr2 Pr4 Se9 -52.449(17) 3_565 .
Se6 Pr2 Pr4 Se9 -169.282(16) . .
Pr3 Pr2 Pr4 Se9 -9.870(14) . .
O1 Pr2 Pr4 Se2 -133.38(15) . .
O3 Pr2 Pr4 Se2 -21.49(11) . .
Se7 Pr2 Pr4 Se2 -100.694(18) . .
Se1 Pr2 Pr4 Se2 94.455(19) . .
Se8 Pr2 Pr4 Se2 153.78(4) . .
Se1 Pr2 Pr4 Se2 176.607(17) 3_565 .
Se6 Pr2 Pr4 Se2 59.774(17) . .
Pr3 Pr2 Pr4 Se2 -140.814(15) . .
O1 Pr2 Pr4 Se3 169.42(15) . .
O3 Pr2 Pr4 Se3 -78.69(11) . .
Se7 Pr2 Pr4 Se3 -157.896(17) . .
Se1 Pr2 Pr4 Se3 37.253(17) . .
Se8 Pr2 Pr4 Se3 96.58(4) . .
Se2 Pr2 Pr4 Se3 -57.202(18) . .
Se1 Pr2 Pr4 Se3 119.405(16) 3_565 .
Se6 Pr2 Pr4 Se3 2.572(17) . .
Pr3 Pr2 Pr4 Se3 161.984(14) . .
O1 Pr2 Pr4 Pr3 7.44(15) . .
O3 Pr2 Pr4 Pr3 119.32(11) . .
Se7 Pr2 Pr4 Pr3 40.120(13) . .
Se1 Pr2 Pr4 Pr3 -124.731(15) . .
Se8 Pr2 Pr4 Pr3 -65.41(3) . .
Se2 Pr2 Pr4 Pr3 140.814(15) . .
Se1 Pr2 Pr4 Pr3 -42.580(11) 3_565 .
Se6 Pr2 Pr4 Pr3 -159.412(12) . .
O4 Pr3 Pr4 O1 -122.9(2) . .
Se1 Pr3 Pr4 O1 52.89(17) 3_565 .
Se7 Pr3 Pr4 O1 -31.88(17) . .
Se6 Pr3 Pr4 O1 117.01(17) 3_565 .
Se9 Pr3 Pr4 O1 -159.55(17) . .
Se5 Pr3 Pr4 O1 46.68(18) 3_565 .
Pr2 Pr3 Pr4 O1 8.44(17) . .
O1 Pr3 Pr4 O5 117.0(2) . .
O4 Pr3 Pr4 O5 -5.85(16) . .
Se1 Pr3 Pr4 O5 169.92(11) 3_565 .
Se7 Pr3 Pr4 O5 85.15(11) . .
Se6 Pr3 Pr4 O5 -125.96(11) 3_565 .
Se9 Pr3 Pr4 O5 -42.52(11) . .
Se5 Pr3 Pr4 O5 163.71(12) 3_565 .
Pr2 Pr3 Pr4 O5 125.47(11) . .
O1 Pr3 Pr4 Se8 -116.39(17) . 3_565
O4 Pr3 Pr4 Se8 120.73(12) . 3_565
Se1 Pr3 Pr4 Se8 -63.505(16) 3_565 3_565
Se7 Pr3 Pr4 Se8 -148.277(16) . 3_565
Se6 Pr3 Pr4 Se8 0.616(17) 3_565 3_565
Se9 Pr3 Pr4 Se8 84.056(19) . 3_565
Se5 Pr3 Pr4 Se8 -69.72(6) 3_565 3_565
Pr2 Pr3 Pr4 Se8 -107.956(13) . 3_565
O1 Pr3 Pr4 Se1 -48.25(17) . .
O4 Pr3 Pr4 Se1 -171.12(12) . .
Se1 Pr3 Pr4 Se1 4.640(19) 3_565 .
Se7 Pr3 Pr4 Se1 -80.132(17) . .
Se6 Pr3 Pr4 Se1 68.761(16) 3_565 .
Se9 Pr3 Pr4 Se1 152.20(2) . .
Se5 Pr3 Pr4 Se1 -1.57(6) 3_565 .
Pr2 Pr3 Pr4 Se1 -39.810(12) . .
O1 Pr3 Pr4 Se9 159.55(17) . .
O4 Pr3 Pr4 Se9 36.67(12) . .
Se1 Pr3 Pr4 Se9 -147.561(19) 3_565 .
Se7 Pr3 Pr4 Se9 127.67(2) . .
Se6 Pr3 Pr4 Se9 -83.440(19) 3_565 .
Se5 Pr3 Pr4 Se9 -153.77(6) 3_565 .
Pr2 Pr3 Pr4 Se9 167.988(17) . .
O1 Pr3 Pr4 Se2 22.14(17) . .
O4 Pr3 Pr4 Se2 -100.73(12) . .
Se1 Pr3 Pr4 Se2 75.033(17) 3_565 .
Se7 Pr3 Pr4 Se2 -9.740(16) . .
Se6 Pr3 Pr4 Se2 139.154(16) 3_565 .
Se9 Pr3 Pr4 Se2 -137.41(2) . .
Se5 Pr3 Pr4 Se2 68.82(6) 3_565 .
Pr2 Pr3 Pr4 Se2 30.582(12) . .
O1 Pr3 Pr4 Se3 -73.46(18) . .
O4 Pr3 Pr4 Se3 163.67(13) . .
Se1 Pr3 Pr4 Se3 -20.57(5) 3_565 .
Se7 Pr3 Pr4 Se3 -105.34(4) . .
Se6 Pr3 Pr4 Se3 43.55(5) 3_565 .
Se9 Pr3 Pr4 Se3 126.99(5) . .
Se5 Pr3 Pr4 Se3 -26.78(8) 3_565 .
Pr2 Pr3 Pr4 Se3 -65.02(4) . .
O1 Pr3 Pr4 Pr2 -8.44(17) . .
O4 Pr3 Pr4 Pr2 -131.31(12) . .
Se1 Pr3 Pr4 Pr2 44.451(12) 3_565 .
Se7 Pr3 Pr4 Pr2 -40.322(12) . .
Se6 Pr3 Pr4 Pr2 108.572(13) 3_565 .
Se9 Pr3 Pr4 Pr2 -167.988(17) . .
Se5 Pr3 Pr4 Pr2 38.24(6) 3_565 .
O1 Pr4 Se1 Pr1 125.45(9) . .
O5 Pr4 Se1 Pr1 -11.83(16) . .
Se8 Pr4 Se1 Pr1 -123.408(19) 3_565 .
Se9 Pr4 Se1 Pr1 178.24(2) . .
Se2 Pr4 Se1 Pr1 44.936(15) . .
Se3 Pr4 Se1 Pr1 -41.696(15) . .
Pr2 Pr4 Se1 Pr1 101.521(16) . .
Pr3 Pr4 Se1 Pr1 146.569(12) . .
O1 Pr4 Se1 Pr3 -67.8(2) . 3_565
O5 Pr4 Se1 Pr3 155.0(2) . 3_565
Se8 Pr4 Se1 Pr3 43.38(18) 3_565 3_565
Se9 Pr4 Se1 Pr3 -14.97(19) . 3_565
Se2 Pr4 Se1 Pr3 -148.28(18) . 3_565
Se3 Pr4 Se1 Pr3 125.09(18) . 3_565
Pr2 Pr4 Se1 Pr3 -91.69(18) . 3_565
Pr3 Pr4 Se1 Pr3 -46.64(18) . 3_565
O1 Pr4 Se1 Pr2 23.93(9) . .
O5 Pr4 Se1 Pr2 -113.35(16) . .
Se8 Pr4 Se1 Pr2 135.071(18) 3_565 .
Se9 Pr4 Se1 Pr2 76.72(3) . .
Se2 Pr4 Se1 Pr2 -56.585(14) . .
Se3 Pr4 Se1 Pr2 -143.217(16) . .
Pr3 Pr4 Se1 Pr2 45.048(12) . .
O1 Pr4 Se1 Pr2 -70.51(9) . 3_565
O5 Pr4 Se1 Pr2 152.20(16) . 3_565
Se8 Pr4 Se1 Pr2 40.626(16) 3_565 3_565
Se9 Pr4 Se1 Pr2 -17.72(3) . 3_565
Se2 Pr4 Se1 Pr2 -151.029(19) . 3_565
Se3 Pr4 Se1 Pr2 122.338(17) . 3_565
Pr2 Pr4 Se1 Pr2 -94.445(16) . 3_565
Pr3 Pr4 Se1 Pr2 -49.397(13) . 3_565
O2 Pr1 Se1 Pr4 85.61(16) . .
Se4 Pr1 Se1 Pr4 -74.14(3) . .
Se3 Pr1 Se1 Pr4 44.062(16) . .
Se5 Pr1 Se1 Pr4 142.549(18) . .
Se2 Pr1 Se1 Pr4 -43.707(14) . .
Se6 Pr1 Se1 Pr4 -131.124(18) . .
O2 Pr1 Se1 Pr3 -92.93(16) . 3_565
Se4 Pr1 Se1 Pr3 107.32(3) . 3_565
Se3 Pr1 Se1 Pr3 -134.480(18) . 3_565
Se5 Pr1 Se1 Pr3 -35.993(16) . 3_565
Se2 Pr1 Se1 Pr3 137.751(18) . 3_565
Se6 Pr1 Se1 Pr3 50.334(15) . 3_565
O2 Pr1 Se1 Pr2 164.84(16) . .
Se4 Pr1 Se1 Pr2 5.09(3) . .
Se3 Pr1 Se1 Pr2 123.286(18) . .
Se5 Pr1 Se1 Pr2 -138.227(19) . .
Se2 Pr1 Se1 Pr2 35.518(15) . .
Se6 Pr1 Se1 Pr2 -51.900(15) . .
O2 Pr1 Se1 Pr2 -36.13(18) . 3_565
Se4 Pr1 Se1 Pr2 164.12(5) . 3_565
Se3 Pr1 Se1 Pr2 -77.68(6) . 3_565
Se5 Pr1 Se1 Pr2 20.81(6) . 3_565
Se2 Pr1 Se1 Pr2 -165.45(6) . 3_565
Se6 Pr1 Se1 Pr2 107.13(6) . 3_565
O1 Pr2 Se1 Pr4 -23.38(9) . .
O3 Pr2 Se1 Pr4 106.84(12) . .
Se7 Pr2 Se1 Pr4 -24.87(3) . .
Se8 Pr2 Se1 Pr4 -155.533(16) . .
Se2 Pr2 Se1 Pr4 55.294(14) . .
Se1 Pr2 Se1 Pr4 -95.546(15) 3_565 .
Se6 Pr2 Se1 Pr4 139.704(18) . .
Pr3 Pr2 Se1 Pr4 -46.260(12) . .
O1 Pr2 Se1 Pr1 -114.47(9) . .
O3 Pr2 Se1 Pr1 15.75(12) . .
Se7 Pr2 Se1 Pr1 -115.96(3) . .
Se8 Pr2 Se1 Pr1 113.378(19) . .
Se2 Pr2 Se1 Pr1 -35.795(16) . .
Se1 Pr2 Se1 Pr1 173.36(2) 3_565 .
Se6 Pr2 Se1 Pr1 48.615(15) . .
Pr3 Pr2 Se1 Pr1 -137.350(14) . .
Pr4 Pr2 Se1 Pr1 -91.089(17) . .
O1 Pr2 Se1 Pr3 150.11(9) . 3_565
O3 Pr2 Se1 Pr3 -79.67(12) . 3_565
Se7 Pr2 Se1 Pr3 148.62(2) . 3_565
Se8 Pr2 Se1 Pr3 17.96(2) . 3_565
Se2 Pr2 Se1 Pr3 -131.216(18) . 3_565
Se1 Pr2 Se1 Pr3 77.944(16) 3_565 3_565
Se6 Pr2 Se1 Pr3 -46.806(16) . 3_565
Pr3 Pr2 Se1 Pr3 127.230(13) . 3_565
Pr4 Pr2 Se1 Pr3 173.49(2) . 3_565
O1 Pr2 Se1 Pr2 72.16(9) . 3_565
O3 Pr2 Se1 Pr2 -157.61(12) . 3_565
Se7 Pr2 Se1 Pr2 70.68(3) . 3_565
Se8 Pr2 Se1 Pr2 -59.987(19) . 3_565
Se2 Pr2 Se1 Pr2 150.840(19) . 3_565
Se1 Pr2 Se1 Pr2 0.0 3_565 3_565
Se6 Pr2 Se1 Pr2 -124.750(18) . 3_565
Pr3 Pr2 Se1 Pr2 49.285(12) . 3_565
Pr4 Pr2 Se1 Pr2 95.545(15) . 3_565
O1 Pr4 Se2 C1 92.7(2) . .
O5 Pr4 Se2 C1 -38.4(2) . .
Se8 Pr4 Se2 C1 -172.6(2) 3_565 .
Se1 Pr4 Se2 C1 171.5(2) . .
Se9 Pr4 Se2 C1 35.6(2) . .
Se3 Pr4 Se2 C1 -116.4(2) . .
Pr2 Pr4 Se2 C1 116.0(2) . .
Pr3 Pr4 Se2 C1 82.3(2) . .
O1 Pr4 Se2 Pr2 -23.31(9) . .
O5 Pr4 Se2 Pr2 -154.38(10) . .
Se8 Pr4 Se2 Pr2 71.40(3) 3_565 .
Se1 Pr4 Se2 Pr2 55.531(14) . .
Se9 Pr4 Se2 Pr2 -80.44(3) . .
Se3 Pr4 Se2 Pr2 127.589(15) . .
Pr3 Pr4 Se2 Pr2 -33.742(12) . .
O1 Pr4 Se2 Pr1 -121.92(9) . .
O5 Pr4 Se2 Pr1 107.01(10) . .
Se8 Pr4 Se2 Pr1 -27.21(3) 3_565 .
Se1 Pr4 Se2 Pr1 -43.076(15) . .
Se9 Pr4 Se2 Pr1 -179.05(2) . .
Se3 Pr4 Se2 Pr1 28.981(16) . .
Pr2 Pr4 Se2 Pr1 -98.608(16) . .
Pr3 Pr4 Se2 Pr1 -132.350(13) . .
O1 Pr2 Se2 C1 -93.9(2) . .
O3 Pr2 Se2 C1 45.5(2) . .
Se7 Pr2 Se2 C1 -30.53(18) . .
Se1 Pr2 Se2 C1 -172.08(18) . .
Se8 Pr2 Se2 C1 87.32(18) . .
Se1 Pr2 Se2 C1 -122.13(18) 3_565 .
Se6 Pr2 Se2 C1 124.85(18) . .
Pr3 Pr2 Se2 C1 -82.23(18) . .
Pr4 Pr2 Se2 C1 -116.77(18) . .
O1 Pr2 Se2 Pr4 22.86(8) . .
O3 Pr2 Se2 Pr4 162.31(9) . .
Se7 Pr2 Se2 Pr4 86.240(16) . .
Se1 Pr2 Se2 Pr4 -55.315(13) . .
Se8 Pr2 Se2 Pr4 -155.92(3) . .
Se1 Pr2 Se2 Pr4 -5.36(3) 3_565 .
Se6 Pr2 Se2 Pr4 -118.385(15) . .
Pr3 Pr2 Se2 Pr4 34.538(13) . .
O1 Pr2 Se2 Pr1 112.27(9) . .
O3 Pr2 Se2 Pr1 -108.29(9) . .
Se7 Pr2 Se2 Pr1 175.648(15) . .
Se1 Pr2 Se2 Pr1 34.093(14) . .
Se8 Pr2 Se2 Pr1 -66.51(4) . .
Se1 Pr2 Se2 Pr1 84.05(3) 3_565 .
Se6 Pr2 Se2 Pr1 -28.977(14) . .
Pr3 Pr2 Se2 Pr1 123.946(13) . .
Pr4 Pr2 Se2 Pr1 89.408(15) . .
O2 Pr1 Se2 C1 36.5(3) . .
Se4 Pr1 Se2 C1 -24.6(2) . .
Se3 Pr1 Se2 C1 104.6(2) . .
Se5 Pr1 Se2 C1 -170.3(2) . .
Se1 Pr1 Se2 C1 178.8(2) . .
Se6 Pr1 Se2 C1 -115.5(2) . .
O2 Pr1 Se2 Pr4 -98.85(12) . .
Se4 Pr1 Se2 Pr4 -159.98(2) . .
Se3 Pr1 Se2 Pr4 -30.797(16) . .
Se5 Pr1 Se2 Pr4 54.33(4) . .
Se1 Pr1 Se2 Pr4 43.468(15) . .
Se6 Pr1 Se2 Pr4 109.089(17) . .
O2 Pr1 Se2 Pr2 -176.80(12) . .
Se4 Pr1 Se2 Pr2 122.07(2) . .
Se3 Pr1 Se2 Pr2 -108.744(17) . .
Se5 Pr1 Se2 Pr2 -23.62(4) . .
Se1 Pr1 Se2 Pr2 -34.479(15) . .
Se6 Pr1 Se2 Pr2 31.142(15) . .
O2 Pr1 Se3 C7 50.2(2) . .
Se4 Pr1 Se3 C7 -24.17(19) . .
Se5 Pr1 Se3 C7 130.73(19) . .
Se1 Pr1 Se3 C7 -153.90(19) . .
Se2 Pr1 Se3 C7 -83.58(19) . .
Se6 Pr1 Se3 C7 -147.77(19) . .
O2 Pr1 Se3 Pr4 162.90(9) . .
Se4 Pr1 Se3 Pr4 88.55(2) . .
Se5 Pr1 Se3 Pr4 -116.552(17) . .
Se1 Pr1 Se3 Pr4 -41.187(14) . .
Se2 Pr1 Se3 Pr4 29.140(15) . .
Se6 Pr1 Se3 Pr4 -35.05(3) . .
O1 Pr4 Se3 C7 124.4(2) . .
O5 Pr4 Se3 C7 -17.1(2) . .
Se8 Pr4 Se3 C7 -143.1(2) 3_565 .
Se1 Pr4 Se3 C7 145.3(2) . .
Se9 Pr4 Se3 C7 -76.4(2) . .
Se2 Pr4 Se3 C7 73.0(2) . .
Pr2 Pr4 Se3 C7 115.2(2) . .
Pr3 Pr4 Se3 C7 172.2(2) . .
O1 Pr4 Se3 Pr1 21.16(14) . .
O5 Pr4 Se3 Pr1 -120.35(10) . .
Se8 Pr4 Se3 Pr1 113.649(17) 3_565 .
Se1 Pr4 Se3 Pr1 41.989(15) . .
Se9 Pr4 Se3 Pr1 -179.65(2) . .
Se2 Pr4 Se3 Pr1 -30.262(15) . .
Pr2 Pr4 Se3 Pr1 11.915(17) . .
Pr3 Pr4 Se3 Pr1 68.90(5) . .
O2 Pr1 Se4 C13 44.9(2) . .
Se3 Pr1 Se4 C13 117.2(2) . .
Se5 Pr1 Se4 C13 -25.0(2) . .
Se1 Pr1 Se4 C13 -147.3(2) . .
Se2 Pr1 Se4 C13 -177.5(2) . .
Se6 Pr1 Se4 C13 -98.6(2) . .
O2 Pr1 Se5 C19 -69.5(2) . .
Se4 Pr1 Se5 C19 0.95(19) . .
Se3 Pr1 Se5 C19 -147.76(18) . .
Se1 Pr1 Se5 C19 141.29(18) . .
Se2 Pr1 Se5 C19 130.92(19) . .
Se6 Pr1 Se5 C19 76.83(18) . .
O2 Pr1 Se5 Pr3 -175.99(10) . 3_565
Se4 Pr1 Se5 Pr3 -105.54(3) . 3_565
Se3 Pr1 Se5 Pr3 105.745(17) . 3_565
Se1 Pr1 Se5 Pr3 34.797(15) . 3_565
Se2 Pr1 Se5 Pr3 24.42(4) . 3_565
Se6 Pr1 Se5 Pr3 -29.669(15) . 3_565
O2 Pr1 Se6 C25 -27.5(3) . .
Se4 Pr1 Se6 C25 46.9(2) . .
Se3 Pr1 Se6 C25 -177.9(2) . .
Se5 Pr1 Se6 C25 -91.1(2) . .
Se1 Pr1 Se6 C25 -171.3(2) . .
Se2 Pr1 Se6 C25 116.7(2) . .
O2 Pr1 Se6 Pr3 94.00(14) . 3_565
Se4 Pr1 Se6 Pr3 168.365(18) . 3_565
Se3 Pr1 Se6 Pr3 -56.39(3) . 3_565
Se5 Pr1 Se6 Pr3 30.406(16) . 3_565
Se1 Pr1 Se6 Pr3 -49.844(14) . 3_565
Se2 Pr1 Se6 Pr3 -121.792(16) . 3_565
O2 Pr1 Se6 Pr2 -172.15(14) . .
Se4 Pr1 Se6 Pr2 -97.783(17) . .
Se3 Pr1 Se6 Pr2 37.46(3) . .
Se5 Pr1 Se6 Pr2 124.257(16) . .
Se1 Pr1 Se6 Pr2 44.008(13) . .
Se2 Pr1 Se6 Pr2 -27.941(13) . .
O1 Pr2 Se6 C25 -158.2(3) . .
O3 Pr2 Se6 C25 -24.9(3) . .
Se7 Pr2 Se6 C25 -23.2(3) . .
Se1 Pr2 Se6 C25 -179.7(3) . .
Se8 Pr2 Se6 C25 57.0(3) . .
Se2 Pr2 Se6 C25 -105.9(3) . .
Se1 Pr2 Se6 C25 114.6(3) 3_565 .
Pr3 Pr2 Se6 C25 166.8(3) . .
Pr4 Pr2 Se6 C25 -149.3(3) . .
O1 Pr2 Se6 Pr3 66.93(11) . 3_565
O3 Pr2 Se6 Pr3 -159.75(9) . 3_565
Se7 Pr2 Se6 Pr3 -158.14(4) . 3_565
Se1 Pr2 Se6 Pr3 45.410(15) . 3_565
Se8 Pr2 Se6 Pr3 -77.873(17) . 3_565
Se2 Pr2 Se6 Pr3 119.196(18) . 3_565
Se1 Pr2 Se6 Pr3 -20.28(2) 3_565 3_565
Pr3 Pr2 Se6 Pr3 31.95(4) . 3_565
Pr4 Pr2 Se6 Pr3 75.771(15) . 3_565
O1 Pr2 Se6 Pr1 -23.69(11) . .
O3 Pr2 Se6 Pr1 109.62(9) . .
Se7 Pr2 Se6 Pr1 111.23(4) . .
Se1 Pr2 Se6 Pr1 -45.217(15) . .
Se8 Pr2 Se6 Pr1 -168.500(15) . .
Se2 Pr2 Se6 Pr1 28.569(14) . .
Se1 Pr2 Se6 Pr1 -110.910(17) 3_565 .
Pr3 Pr2 Se6 Pr1 -58.68(3) . .
Pr4 Pr2 Se6 Pr1 -14.856(14) . .
O1 Pr3 Se7 C31 140.2(2) . .
O4 Pr3 Se7 C31 -86.6(2) . .
Se1 Pr3 Se7 C31 64.80(19) 3_565 .
Se6 Pr3 Se7 C31 51.30(19) 3_565 .
Se9 Pr3 Se7 C31 -160.78(19) . .
Se5 Pr3 Se7 C31 -11.17(19) 3_565 .
Pr2 Pr3 Se7 C31 109.65(19) . .
Pr4 Pr3 Se7 C31 155.51(19) . .
O1 Pr3 Se7 Pr2 30.51(9) . .
O4 Pr3 Se7 Pr2 163.77(11) . .
Se1 Pr3 Se7 Pr2 -44.846(14) 3_565 .
Se6 Pr3 Se7 Pr2 -58.35(4) 3_565 .
Se9 Pr3 Se7 Pr2 89.57(2) . .
Se5 Pr3 Se7 Pr2 -120.819(16) 3_565 .
Pr4 Pr3 Se7 Pr2 45.861(13) . .
O1 Pr2 Se7 C31 -147.7(2) . .
O3 Pr2 Se7 C31 69.3(2) . .
Se1 Pr2 Se7 C31 -146.15(19) . .
Se8 Pr2 Se7 C31 -10.23(19) . .
Se2 Pr2 Se7 C31 144.77(19) . .
Se1 Pr2 Se7 C31 -74.91(19) 3_565 .
Se6 Pr2 Se7 C31 67.72(19) . .
Pr3 Pr2 Se7 C31 -118.07(19) . .
Pr4 Pr2 Se7 C31 -165.05(19) . .
O1 Pr2 Se7 Pr3 -29.61(9) . .
O3 Pr2 Se7 Pr3 -172.61(9) . .
Se1 Pr2 Se7 Pr3 -28.08(3) . .
Se8 Pr2 Se7 Pr3 107.847(16) . .
Se2 Pr2 Se7 Pr3 -97.159(16) . .
Se1 Pr2 Se7 Pr3 43.167(14) 3_565 .
Se6 Pr2 Se7 Pr3 -174.20(4) . .
Pr4 Pr2 Se7 Pr3 -46.972(13) . .
O1 Pr2 Se8 C37A 167.3(3) . .
O3 Pr2 Se8 C37A 27.0(3) . .
Se7 Pr2 Se8 C37A 105.2(3) . .
Se1 Pr2 Se8 C37A -102.9(3) . .
Se2 Pr2 Se8 C37A -14.4(3) . .
Se1 Pr2 Se8 C37A -174.3(3) 3_565 .
Se6 Pr2 Se8 C37A -50.8(3) . .
Pr3 Pr2 Se8 C37A 155.0(3) . .
Pr4 Pr2 Se8 C37A -149.1(3) . .
O1 Pr2 Se8 C37B 171.2(6) . .
O3 Pr2 Se8 C37B 31.0(6) . .
Se7 Pr2 Se8 C37B 109.1(6) . .
Se1 Pr2 Se8 C37B -99.0(6) . .
Se2 Pr2 Se8 C37B -10.4(6) . .
Se1 Pr2 Se8 C37B -170.4(6) 3_565 .
Se6 Pr2 Se8 C37B -46.8(6) . .
Pr3 Pr2 Se8 C37B 159.0(6) . .
Pr4 Pr2 Se8 C37B -145.1(6) . .
O1 Pr2 Se8 Pr4 -59.53(12) . 3_565
O3 Pr2 Se8 Pr4 160.22(9) . 3_565
Se7 Pr2 Se8 Pr4 -121.620(18) . 3_565
Se1 Pr2 Se8 Pr4 30.29(2) . 3_565
Se2 Pr2 Se8 Pr4 118.82(3) . 3_565
Se1 Pr2 Se8 Pr4 -41.147(16) 3_565 3_565
Se6 Pr2 Se8 Pr4 82.418(18) . 3_565
Pr3 Pr2 Se8 Pr4 -71.790(18) . 3_565
Pr4 Pr2 Se8 Pr4 -15.89(4) . 3_565
O1 Pr4 Se9 C43 -80.2(2) . .
O5 Pr4 Se9 C43 53.8(2) . .
Se8 Pr4 Se9 C43 175.40(18) 3_565 .
Se1 Pr4 Se9 C43 -132.26(18) . .
Se2 Pr4 Se9 C43 -23.53(19) . .
Se3 Pr4 Se9 C43 112.47(19) . .
Pr2 Pr4 Se9 C43 -78.91(18) . .
Pr3 Pr4 Se9 C43 -89.84(18) . .
O1 Pr4 Se9 Pr3 9.61(8) . .
O5 Pr4 Se9 Pr3 143.66(10) . .
Se8 Pr4 Se9 Pr3 -94.755(16) 3_565 .
Se1 Pr4 Se9 Pr3 -42.42(3) . .
Se2 Pr4 Se9 Pr3 66.32(3) . .
Se3 Pr4 Se9 Pr3 -157.68(2) . .
Pr2 Pr4 Se9 Pr3 10.931(15) . .
O1 Pr3 Se9 C43 83.9(2) . .
O4 Pr3 Se9 C43 -53.5(2) . .
Se1 Pr3 Se9 C43 138.56(18) 3_565 .
Se7 Pr3 Se9 C43 28.04(18) . .
Se6 Pr3 Se9 C43 -168.34(18) 3_565 .
Se5 Pr3 Se9 C43 -96.15(18) 3_565 .
Pr2 Pr3 Se9 C43 82.77(18) . .
Pr4 Pr3 Se9 C43 93.63(18) . .
O1 Pr3 Se9 Pr4 -9.73(8) . .
O4 Pr3 Se9 Pr4 -147.13(11) . .
Se1 Pr3 Se9 Pr4 44.93(2) 3_565 .
Se7 Pr3 Se9 Pr4 -65.59(2) . .
Se6 Pr3 Se9 Pr4 98.030(16) 3_565 .
Se5 Pr3 Se9 Pr4 170.22(2) 3_565 .
Pr2 Pr3 Se9 Pr4 -10.861(15) . .
O4 Pr3 O1 Pr4 74.6(2) . .
Se1 Pr3 O1 Pr4 -124.15(17) 3_565 .
Se7 Pr3 O1 Pr4 145.70(18) . .
Se6 Pr3 O1 Pr4 -67.97(17) 3_565 .
Se9 Pr3 O1 Pr4 15.84(13) . .
Se5 Pr3 O1 Pr4 -164.11(7) 3_565 .
Pr2 Pr3 O1 Pr4 -166.2(3) . .
O4 Pr3 O1 Pr2 -119.19(18) . .
Se1 Pr3 O1 Pr2 42.05(11) 3_565 .
Se7 Pr3 O1 Pr2 -48.10(11) . .
Se6 Pr3 O1 Pr2 98.23(13) 3_565 .
Se9 Pr3 O1 Pr2 -177.96(15) . .
Se5 Pr3 O1 Pr2 2.1(2) 3_565 .
Pr4 Pr3 O1 Pr2 166.2(3) . .
O5 Pr4 O1 Pr3 -81.8(2) . .
Se8 Pr4 O1 Pr3 66.87(16) 3_565 .
Se1 Pr4 O1 Pr3 129.58(17) . .
Se9 Pr4 O1 Pr3 -16.15(14) . .
Se2 Pr4 O1 Pr3 -157.70(17) . .
Se3 Pr4 O1 Pr3 149.81(9) . .
Pr2 Pr4 O1 Pr3 166.2(3) . .
O5 Pr4 O1 Pr2 112.03(18) . .
Se8 Pr4 O1 Pr2 -99.33(13) 3_565 .
Se1 Pr4 O1 Pr2 -36.62(11) . .
Se9 Pr4 O1 Pr2 177.65(15) . .
Se2 Pr4 O1 Pr2 36.09(11) . .
Se3 Pr4 O1 Pr2 -16.4(2) . .
Pr3 Pr4 O1 Pr2 -166.2(3) . .
O3 Pr2 O1 Pr3 99.78(19) . .
Se7 Pr2 O1 Pr3 48.26(12) . .
Se1 Pr2 O1 Pr3 -130.75(15) . .
Se8 Pr2 O1 Pr3 -23.5(2) . .
Se2 Pr2 O1 Pr3 157.28(15) . .
Se1 Pr2 O1 Pr3 -41.16(11) 3_565 .
Se6 Pr2 O1 Pr3 -150.08(8) . .
Pr4 Pr2 O1 Pr3 -167.2(3) . .
O3 Pr2 O1 Pr4 -93.04(19) . .
Se7 Pr2 O1 Pr4 -144.56(16) . .
Se1 Pr2 O1 Pr4 36.43(11) . .
Se8 Pr2 O1 Pr4 143.64(9) . .
Se2 Pr2 O1 Pr4 -35.54(11) . .
Se1 Pr2 O1 Pr4 126.03(15) 3_565 .
Se6 Pr2 O1 Pr4 17.1(2) . .
Pr3 Pr2 O1 Pr4 167.2(3) . .
Se4 Pr1 O2 C52 13.4(5) . .
Se3 Pr1 O2 C52 -111.6(5) . .
Se5 Pr1 O2 C52 152.5(5) . .
Se1 Pr1 O2 C52 -151.7(5) . .
Se2 Pr1 O2 C52 -42.4(6) . .
Se6 Pr1 O2 C52 89.1(5) . .
Se4 Pr1 O2 C49 -170.4(5) . .
Se3 Pr1 O2 C49 64.5(5) . .
Se5 Pr1 O2 C49 -31.3(5) . .
Se1 Pr1 O2 C49 24.4(6) . .
Se2 Pr1 O2 C49 133.8(5) . .
Se6 Pr1 O2 C49 -94.8(5) . .
O1 Pr2 O3 C53 -86.5(5) . .
Se7 Pr2 O3 C53 -38.7(4) . .
Se1 Pr2 O3 C53 169.5(4) . .
Se8 Pr2 O3 C53 56.5(4) . .
Se2 Pr2 O3 C53 -142.3(5) . .
Se1 Pr2 O3 C53 25.5(5) 3_565 .
Se6 Pr2 O3 C53 140.7(5) . .
Pr3 Pr2 O3 C53 -46.0(5) . .
Pr4 Pr2 O3 C53 -125.6(4) . .
O1 Pr2 O3 C56 90.2(4) . .
Se7 Pr2 O3 C56 138.1(4) . .
Se1 Pr2 O3 C56 -13.8(5) . .
Se8 Pr2 O3 C56 -126.8(4) . .
Se2 Pr2 O3 C56 34.4(4) . .
Se1 Pr2 O3 C56 -157.7(4) 3_565 .
Se6 Pr2 O3 C56 -42.6(4) . .
Pr3 Pr2 O3 C56 130.7(4) . .
Pr4 Pr2 O3 C56 51.1(5) . .
O1 Pr3 O4 C57 78.9(5) . .
Se1 Pr3 O4 C57 -61.6(6) 3_565 .
Se7 Pr3 O4 C57 16.6(5) . .
Se6 Pr3 O4 C57 -140.6(5) 3_565 .
Se9 Pr3 O4 C57 137.4(5) . .
Se5 Pr3 O4 C57 -67.8(5) 3_565 .
Pr2 Pr3 O4 C57 35.4(5) . .
Pr4 Pr3 O4 C57 109.6(5) . .
O1 Pr3 O4 C60 -103.6(5) . .
Se1 Pr3 O4 C60 115.9(5) 3_565 .
Se7 Pr3 O4 C60 -165.9(5) . .
Se6 Pr3 O4 C60 37.0(5) 3_565 .
Se9 Pr3 O4 C60 -45.1(5) . .
Se5 Pr3 O4 C60 109.7(5) 3_565 .
Pr2 Pr3 O4 C60 -147.0(4) . .
Pr4 Pr3 O4 C60 -72.8(5) . .
O1 Pr4 O5 C64 135.7(4) . .
Se8 Pr4 O5 C64 -8.4(5) 3_565 .
Se1 Pr4 O5 C64 -101.8(5) . .
Se9 Pr4 O5 C64 71.1(5) . .
Se2 Pr4 O5 C64 -153.7(5) . .
Se3 Pr4 O5 C64 -73.2(5) . .
Pr2 Pr4 O5 C64 178.3(4) . .
Pr3 Pr4 O5 C64 103.4(5) . .
O1 Pr4 O5 C61 -34.1(6) . .
Se8 Pr4 O5 C61 -178.2(5) 3_565 .
Se1 Pr4 O5 C61 88.3(6) . .
Se9 Pr4 O5 C61 -98.7(6) . .
Se2 Pr4 O5 C61 36.4(6) . .
Se3 Pr4 O5 C61 116.9(6) . .
Pr2 Pr4 O5 C61 8.4(6) . .
Pr3 Pr4 O5 C61 -66.5(6) . .
Pr4 Se2 C1 C6 100.1(5) . .
Pr2 Se2 C1 C6 -168.2(4) . .
Pr1 Se2 C1 C6 -26.4(6) . .
Pr4 Se2 C1 C2 -79.8(5) . .
Pr2 Se2 C1 C2 11.8(5) . .
Pr1 Se2 C1 C2 153.7(3) . .
C6 C1 C2 C3 0.1(8) . .
Se2 C1 C2 C3 -180.0(4) . .
C1 C2 C3 C4 -0.5(9) . .
C2 C3 C4 C5 0.7(9) . .
C3 C4 C5 C6 -0.5(9) . .
C2 C1 C6 C5 0.0(9) . .
Se2 C1 C6 C5 -179.9(4) . .
C4 C5 C6 C1 0.2(9) . .
Pr1 Se3 C7 C12 42.8(6) . .
Pr4 Se3 C7 C12 -52.8(6) . .
Pr1 Se3 C7 C8 -138.3(5) . .
Pr4 Se3 C7 C8 126.1(5) . .
C12 C7 C8 C9 2.5(10) . .
Se3 C7 C8 C9 -176.4(5) . .
C7 C8 C9 C10 -0.6(11) . .
C8 C9 C10 C11 -1.4(11) . .
C9 C10 C11 C12 1.4(11) . .
C8 C7 C12 C11 -2.5(10) . .
Se3 C7 C12 C11 176.5(6) . .
C10 C11 C12 C7 0.5(11) . .
Pr1 Se4 C13 C14 -142.5(5) . .
Pr1 Se4 C13 C18 37.0(6) . .
C18 C13 C14 C15 -1.6(10) . .
Se4 C13 C14 C15 177.8(5) . .
C13 C14 C15 C16 0.9(11) . .
C14 C15 C16 C17 0.1(11) . .
C15 C16 C17 C18 -0.3(11) . .
C16 C17 C18 C13 -0.6(11) . .
C14 C13 C18 C17 1.5(10) . .
Se4 C13 C18 C17 -177.9(5) . .
Pr1 Se5 C19 C24 -53.4(5) . .
Pr3 Se5 C19 C24 41.8(5) 3_565 .
Pr1 Se5 C19 C20 127.9(5) . .
Pr3 Se5 C19 C20 -136.8(5) 3_565 .
C24 C19 C20 C21 0.0(10) . .
Se5 C19 C20 C21 178.7(5) . .
C19 C20 C21 C22 -1.5(11) . .
C20 C21 C22 C23 2.1(11) . .
C21 C22 C23 C24 -1.4(11) . .
C20 C19 C24 C23 0.8(9) . .
Se5 C19 C24 C23 -177.9(5) . .
C22 C23 C24 C19 -0.1(11) . .
Pr3 Se6 C25 C26 -151.9(5) 3_565 .
Pr1 Se6 C25 C26 -45.5(6) . .
Pr2 Se6 C25 C26 80.7(6) . .
Pr3 Se6 C25 C30 23.9(7) 3_565 .
Pr1 Se6 C25 C30 130.3(6) . .
Pr2 Se6 C25 C30 -103.5(6) . .
C30 C25 C26 C27 2.4(11) . .
Se6 C25 C26 C27 178.3(6) . .
C25 C26 C27 C28 -0.2(13) . .
C26 C27 C28 C29 -3.7(17) . .
C27 C28 C29 C30 5.2(19) . .
C28 C29 C30 C25 -3.0(18) . .
C26 C25 C30 C29 -0.9(14) . .
Se6 C25 C30 C29 -176.8(8) . .
Pr3 Se7 C31 C32 -35.8(5) . .
Pr2 Se7 C31 C32 53.7(5) . .
Pr3 Se7 C31 C36 146.0(4) . .
Pr2 Se7 C31 C36 -124.5(4) . .
C36 C31 C32 C33 -0.7(9) . .
Se7 C31 C32 C33 -179.0(5) . .
C31 C32 C33 C34 0.7(10) . .
C32 C33 C34 C35 -0.3(11) . .
C33 C34 C35 C36 -0.1(11) . .
C34 C35 C36 C31 0.1(10) . .
C32 C31 C36 C35 0.3(9) . .
Se7 C31 C36 C35 178.6(5) . .
C37B Se8 C37A C42A -81(7) . .
Pr4 Se8 C37A C42A -76.4(5) 3_565 .
Pr2 Se8 C37A C42A 49.1(5) . .
C37B Se8 C37A C38A 101(7) . .
Pr4 Se8 C37A C38A 104.6(4) 3_565 .
Pr2 Se8 C37A C38A -129.8(4) . .
C42A C37A C38A C39A 0.3(5) . .
Se8 C37A C38A C39A 179.3(4) . .
C37A C38A C39A C40A 2.6(8) . .
C38A C39A C40A C41A -4.1(11) . .
C39A C40A C41A C42A 2.7(11) . .
C38A C37A C42A C41A -1.8(8) . .
Se8 C37A C42A C41A 179.3(5) . .
C40A C41A C42A C37A 0.4(11) . .
C37A Se8 C37B C38B 169(7) . .
Pr4 Se8 C37B C38B -6.5(8) 3_565 .
Pr2 Se8 C37B C38B 116.9(8) . .
C37A Se8 C37B C42B -11(7) . .
Pr4 Se8 C37B C42B 173.5(8) 3_565 .
Pr2 Se8 C37B C42B -63.1(8) . .
C42B C37B C38B C39B 0.0 . .
Se8 C37B C38B C39B 179.99(13) . .
C37B C38B C39B C40B 0.0 . .
C38B C39B C40B C41B 0.0 . .
C39B C40B C41B C42B 0.0 . .
C40B C41B C42B C37B 0.0 . .
C38B C37B C42B C41B 0.0 . .
Se8 C37B C42B C41B -179.99(12) . .
Pr4 Se9 C43 C48 45.3(6) . .
Pr3 Se9 C43 C48 -34.5(5) . .
Pr4 Se9 C43 C44 -135.8(5) . .
Pr3 Se9 C43 C44 144.5(5) . .
C48 C43 C44 C45 2.3(11) . .
Se9 C43 C44 C45 -176.7(6) . .
C43 C44 C45 C46 -1.5(13) . .
C44 C45 C46 C47 0.1(13) . .
C45 C46 C47 C48 0.5(12) . .
C46 C47 C48 C43 0.3(11) . .
C44 C43 C48 C47 -1.7(10) . .
Se9 C43 C48 C47 177.2(5) . .
C52 O2 C49 C50 22.8(8) . .
Pr1 O2 C49 C50 -154.2(5) . .
O2 C49 C50 C51 -2.2(9) . .
C49 C50 C51 C52 -17.9(8) . .
C49 O2 C52 C51 -34.1(7) . .
Pr1 O2 C52 C51 142.6(4) . .
C50 C51 C52 O2 32.1(7) . .
C56 O3 C53 C54 34.3(7) . .
Pr2 O3 C53 C54 -148.3(4) . .
O3 C53 C54 C55 -15.8(7) . .
C53 C54 C55 C56 -7.8(8) . .
C53 O3 C56 C55 -40.0(6) . .
Pr2 O3 C56 C55 142.8(4) . .
C54 C55 C56 O3 28.9(7) . .
C60 O4 C57 C58 2.0(8) . .
Pr3 O4 C57 C58 180.0(5) . .
O4 C57 C58 C59 -24.3(9) . .
C57 C58 C59 C60 37.0(9) . .
C57 O4 C60 C59 21.0(8) . .
Pr3 O4 C60 C59 -156.7(5) . .
C58 C59 C60 O4 -35.7(8) . .
C64 O5 C61 C62 -6.4(9) . .
Pr4 O5 C61 C62 164.0(6) . .
O5 C61 C62 C63 2.0(12) . .
C61 C62 C63 C64 3.4(17) . .
C62 C63 C64 O5 -7.3(16) . .
C61 O5 C64 C63 8.2(11) . .
Pr4 O5 C64 C63 -164.2(8) . .
C604 O6 C601 C602 -29.9(14) . .
O6 C601 C602 C603 37.4(16) . .
C601 C602 C603 C604 -29.5(16) . .
C601 O6 C604 C603 13.1(16) . .
C602 C603 C604 O6 10.0(17) . .
C704 O7 C701 C702 21.3(12) . .
O7 C701 C702 C703 -38.5(11) . .
C701 C702 C703 C704 39.3(11) . .
C701 O7 C704 C703 4.4(13) . .
C702 C703 C704 O7 -28.1(12) . .
C804 O8 C801 C802 8.2(19) . .
O8 C801 C802 C803 -32.0(15) . .
C801 C802 C803 C804 43.1(16) . .
C801 O8 C804 C803 18(2) . .
C802 C803 C804 O8 -37.0(17) . .
