#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:54:39 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179942 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/37/7023725.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_7023725
loop_
_publ_author_name
'Fang, Wang'
'Tang, Chunying'
'Chen, Ruihong'
'Jia, Dingxian'
'Jiang, Wenqing'
'Zhang, Yong'
_publ_section_title
;
 Polymeric heterometallic Pb-Ag iodometallates, iodoplumbates and
 iodoargentates with lanthanide complex cations as templates.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15150
_journal_page_last               15158
_journal_paper_doi               10.1039/c3dt51829a
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C24 H56 Ag6 I9 N8 O8 Pr'
_chemical_formula_sum            'C24 H56 Ag6 I9 N8 O8 Pr'
_chemical_formula_weight         2515.01
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 114.411(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.749(5)
_cell_length_b                   18.507(4)
_cell_length_c                   16.864(4)
_cell_measurement_reflns_used    14384
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     5897(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_av_sigmaI/netI    0.0568
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14884
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    7.567
_exptl_absorpt_correction_T_max  0.3594
_exptl_absorpt_correction_T_min  0.2868
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellowish
_exptl_crystal_density_diffrn    2.837
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4555
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_refine_diff_density_max         2.409
_refine_diff_density_min         -1.030
_refine_diff_density_rms         0.226
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     198
_refine_ls_number_reflns         5446
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0573
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1534
_refine_ls_wR_factor_ref         0.1607
_reflns_number_gt                4275
_reflns_number_total             5446
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51829a.txt
_cod_data_source_block           shelxl
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7023725
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 0.73285(17) 0.16714(17) 0.5484(2) 0.0586(9) Uani 1 1 d .
Ag2 Ag 0.58329(14) 0.16638(14) 0.35717(18) 0.0572(8) Uani 1 1 d .
Ag3 Ag 0.60725(14) 0.31028(14) 0.28415(18) 0.0520(8) Uani 1 1 d .
I1 I 0.64089(10) 0.29258(11) 0.47469(12) 0.0530(6) Uani 1 1 d .
I2 I 0.66384(13) 0.04666(12) 0.44331(16) 0.0655(7) Uani 1 1 d .
I3 I 0.76187(11) 0.16570(12) 0.72757(13) 0.0565(6) Uani 1 1 d .
I4 I 0.56286(10) 0.18052(11) 0.17705(13) 0.0531(6) Uani 1 1 d .
I5 I 0.5000 0.41293(14) 0.2500 0.0475(7) Uani 1 2 d S
Pr1 Pr 0.5000 0.28525(11) 0.7500 0.0487(6) Uani 1 2 d S
O1 O 0.6117(11) 0.3457(15) 0.7771(14) 0.059(6) Uani 1 1 d .
O2 O 0.5579(13) 0.1989(13) 0.6952(18) 0.064(4) Uani 1 1 d D
O3 O 0.4061(11) 0.2260(12) 0.6184(14) 0.061(3) Uani 1 1 d .
O4 O 0.5165(13) 0.3704(14) 0.8666(15) 0.063(4) Uani 1 1 d .
N1 N 0.6933(13) 0.4017(13) 0.7473(15) 0.062(6) Uani 1 1 d .
N2 N 0.5583(16) 0.0893(13) 0.6422(19) 0.064(4) Uani 1 1 d D
N3 N 0.3045(14) 0.1746(15) 0.5327(18) 0.061(3) Uani 1 1 d .
N4 N 0.5683(17) 0.4239(18) 0.995(2) 0.073(4) Uani 1 1 d .
C1 C 0.6524(18) 0.3507(18) 0.740(2) 0.062(8) Uani 1 1 d .
H1 H 0.6519 0.3126 0.7025 0.074 Uiso 1 1 calc R
C2 C 0.744(2) 0.4006(18) 0.709(2) 0.070(9) Uani 1 1 d .
H2A H 0.7436 0.3533 0.6840 0.075 Uiso 1 1 calc R
H2B H 0.7907 0.4107 0.7533 0.075 Uiso 1 1 calc R
H2C H 0.7311 0.4369 0.6635 0.075 Uiso 1 1 calc R
C3 C 0.6918(19) 0.469(2) 0.798(3) 0.070(12) Uani 1 1 d .
H3A H 0.6431 0.4824 0.7842 0.080 Uiso 1 1 calc R
H3B H 0.7146 0.5087 0.7810 0.080 Uiso 1 1 calc R
H3C H 0.7168 0.4604 0.8595 0.080 Uiso 1 1 calc R
C4A C 0.556(4) 0.1602(14) 0.634(3) 0.064(4) Uani 0.50 1 d PD
C4B C 0.573(4) 0.1338(15) 0.709(2) 0.064(4) Uani 0.50 1 d PD
C5A C 0.584(4) 0.057(3) 0.728(2) 0.066(4) Uani 0.50 1 d PD
C5B C 0.547(4) 0.0120(14) 0.629(4) 0.058(4) Uani 0.50 1 d PD
C6A C 0.552(4) 0.043(3) 0.570(3) 0.059(4) Uani 0.50 1 d PD
C6B C 0.519(3) 0.135(3) 0.568(3) 0.060(4) Uani 0.50 1 d PD
C7 C 0.3445(16) 0.2054(19) 0.598(2) 0.061(3) Uani 1 1 d .
H7 H 0.3260 0.2150 0.6396 0.073 Uiso 1 1 calc R
C8 C 0.2375(15) 0.1399(19) 0.523(2) 0.061(3) Uani 1 1 d .
H8A H 0.2436 0.0879 0.5269 0.071 Uiso 1 1 calc R
H8B H 0.2004 0.1526 0.4670 0.071 Uiso 1 1 calc R
H8C H 0.2246 0.1565 0.5691 0.071 Uiso 1 1 calc R
C9 C 0.3265(16) 0.1667(18) 0.461(2) 0.061(3) Uani 1 1 d .
H9A H 0.3697 0.1939 0.4739 0.071 Uiso 1 1 calc R
H9B H 0.2895 0.1851 0.4076 0.071 Uiso 1 1 calc R
H9C H 0.3348 0.1161 0.4534 0.071 Uiso 1 1 calc R
C10 C 0.550(2) 0.419(2) 0.914(2) 0.063(4) Uani 1 1 d .
H10 H 0.5638 0.4568 0.8871 0.077 Uiso 1 1 calc R
C11 C 0.5518(19) 0.365(2) 1.040(2) 0.058(4) Uani 1 1 d .
H11A H 0.5248 0.3285 0.9979 0.069 Uiso 1 1 calc R
H11B H 0.5240 0.3833 1.0697 0.069 Uiso 1 1 calc R
H11C H 0.5953 0.3440 1.0816 0.069 Uiso 1 1 calc R
C12 C 0.614(2) 0.485(2) 1.049(2) 0.062(4) Uani 1 1 d .
H12A H 0.6601 0.4663 1.0858 0.069 Uiso 1 1 calc R
H12B H 0.5917 0.5052 1.0845 0.069 Uiso 1 1 calc R
H12C H 0.6180 0.5218 1.0106 0.069 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pr Pr -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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
I3 Ag1 I2 119.30(13) . .
I3 Ag1 I1 109.92(11) . 7_656
I2 Ag1 I1 111.63(13) . 7_656
I3 Ag1 I1 105.91(12) . .
I2 Ag1 I1 106.55(11) . .
I1 Ag1 I1 101.84(11) 7_656 .
I3 Ag1 Ag3 53.54(8) . 7_656
I2 Ag1 Ag3 133.35(12) . 7_656
I1 Ag1 Ag3 56.70(8) 7_656 7_656
I1 Ag1 Ag3 119.87(12) . 7_656
I2 Ag2 I4 122.34(12) . 2_655
I2 Ag2 I4 114.41(12) . .
I4 Ag2 I4 95.55(10) 2_655 .
I2 Ag2 I1 106.67(11) . .
I4 Ag2 I1 99.40(10) 2_655 .
I4 Ag2 I1 118.13(10) . .
I5 Ag3 I3 125.57(11) . 7_656
I5 Ag3 I4 114.26(11) . .
I3 Ag3 I4 98.76(10) 7_656 .
I5 Ag3 I1 96.16(9) . .
I3 Ag3 I1 106.55(10) 7_656 .
I4 Ag3 I1 116.49(10) . .
I5 Ag3 Ag1 120.71(11) . 7_656
I3 Ag3 Ag1 53.23(8) 7_656 7_656
I4 Ag3 Ag1 124.70(11) . 7_656
I1 Ag3 Ag1 53.62(8) . 7_656
Ag1 I1 Ag1 78.16(11) 7_656 .
Ag1 I1 Ag2 104.41(11) 7_656 .
Ag1 I1 Ag2 70.91(9) . .
Ag1 I1 Ag3 69.68(9) 7_656 .
Ag1 I1 Ag3 111.18(10) . .
Ag2 I1 Ag3 61.47(8) . .
Ag2 I2 Ag1 74.98(10) . .
Ag1 I3 Ag3 73.22(10) . 7_656
Ag2 I4 Ag2 83.49(10) 2_655 .
Ag2 I4 Ag3 103.76(10) 2_655 .
Ag2 I4 Ag3 63.48(9) . .
Ag3 I5 Ag3 94.50(14) 2_655 .
O2 Pr1 O2 96.5(12) . 2_656
O2 Pr1 O4 144.8(8) . .
O2 Pr1 O4 92.6(9) 2_656 .
O2 Pr1 O4 92.6(9) . 2_656
O2 Pr1 O4 144.8(8) 2_656 2_656
O4 Pr1 O4 99.2(12) . 2_656
O2 Pr1 O1 77.9(9) . .
O2 Pr1 O1 145.1(8) 2_656 .
O4 Pr1 O1 75.3(8) . .
O4 Pr1 O1 70.1(8) 2_656 .
O2 Pr1 O1 145.1(9) . 2_656
O2 Pr1 O1 77.9(9) 2_656 2_656
O4 Pr1 O1 70.1(8) . 2_656
O4 Pr1 O1 75.3(8) 2_656 2_656
O1 Pr1 O1 125.4(13) . 2_656
O2 Pr1 O3 72.5(8) . .
O2 Pr1 O3 73.8(8) 2_656 .
O4 Pr1 O3 142.5(8) . .
O4 Pr1 O3 76.8(8) 2_656 .
O1 Pr1 O3 133.9(7) . .
O1 Pr1 O3 72.9(7) 2_656 .
O2 Pr1 O3 73.8(8) . 2_656
O2 Pr1 O3 72.5(8) 2_656 2_656
O4 Pr1 O3 76.8(8) . 2_656
O4 Pr1 O3 142.5(8) 2_656 2_656
O1 Pr1 O3 72.9(7) . 2_656
O1 Pr1 O3 133.9(7) 2_656 2_656
O3 Pr1 O3 128.4(11) . 2_656
C1 O1 Pr1 137(2) . .
C4B O2 C4A 61(3) . .
C4B O2 Pr1 135(3) . .
C4A O2 Pr1 149(4) . .
C7 O3 Pr1 135(2) . .
C10 O4 Pr1 150(3) . .
C1 N1 C2 122(3) . .
C1 N1 C3 121(3) . .
C2 N1 C3 117(3) . .
C4A N2 C4B 57(3) . .
C4A N2 C6A 121(3) . .
C4B N2 C6A 172(5) . .
C4A N2 C5A 120(3) . .
C4B N2 C5A 63(3) . .
C6A N2 C5A 117.1(12) . .
C4A N2 C6B 49(3) . .
C4B N2 C6B 102(3) . .
C6A N2 C6B 79(3) . .
C5A N2 C6B 161(4) . .
C4A N2 C5B 166(4) . .
C4B N2 C5B 135(4) . .
C6A N2 C5B 48(3) . .
C5A N2 C5B 73(3) . .
C6B N2 C5B 116.6(12) . .
C7 N3 C9 118(3) . .
C7 N3 C8 124(3) . .
C9 N3 C8 118(2) . .
C10 N4 C11 119(3) . .
C10 N4 C12 123(4) . .
C11 N4 C12 118(3) . .
N1 C1 O1 126(3) . .
N1 C1 H1 117.2 . .
O1 C1 H1 117.2 . .
N1 C2 H2A 109.5 . .
N1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
N1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
N1 C3 H3A 109.5 . .
N1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
N1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
O2 C4A N2 120(3) . .
O2 C4B N2 120(3) . .
N3 C7 O3 129(3) . .
N3 C7 H7 115.4 . .
O3 C7 H7 115.4 . .
N3 C8 H8A 109.5 . .
N3 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
N3 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N3 C9 H9A 109.5 . .
N3 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
N3 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
O4 C10 N4 127(4) . .
O4 C10 H10 116.6 . .
N4 C10 H10 116.6 . .
N4 C11 H11A 109.5 . .
N4 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
N4 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
N4 C12 H12A 109.5 . .
N4 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
N4 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 I3 2.827(4) .
Ag1 I2 2.840(4) .
Ag1 I1 2.900(4) 7_656
Ag1 I1 2.935(4) .
Ag1 Ag3 3.378(4) 7_656
Ag2 I2 2.794(3) .
Ag2 I4 2.855(4) 2_655
Ag2 I4 2.900(3) .
Ag2 I1 2.976(3) .
Ag3 I5 2.799(3) .
Ag3 I3 2.838(3) 7_656
Ag3 I4 2.916(3) .
Ag3 I1 3.011(3) .
Ag3 Ag1 3.378(4) 7_656
I1 Ag1 2.900(4) 7_656
I3 Ag3 2.838(3) 7_656
I4 Ag2 2.855(4) 2_655
I5 Ag3 2.799(3) 2_655
Pr1 O2 2.40(2) .
Pr1 O2 2.40(2) 2_656
Pr1 O4 2.43(2) .
Pr1 O4 2.43(2) 2_656
Pr1 O1 2.44(2) .
Pr1 O1 2.44(2) 2_656
Pr1 O3 2.52(2) .
Pr1 O3 2.52(2) 2_656
O1 C1 1.25(4) .
O2 C4B 1.240(10) .
O2 C4A 1.240(10) .
O3 C7 1.24(4) .
O4 C10 1.21(4) .
N1 C1 1.24(4) .
N1 C2 1.44(4) .
N1 C3 1.52(4) .
N2 C4A 1.318(10) .
N2 C4B 1.320(10) .
N2 C6A 1.449(10) .
N2 C5A 1.449(10) .
N2 C6B 1.450(10) .
N2 C5B 1.451(10) .
N3 C7 1.22(4) .
N3 C9 1.47(4) .
N3 C8 1.48(4) .
N4 C10 1.26(5) .
N4 C11 1.45(5) .
N4 C12 1.51(4) .
C1 H1 0.9400 .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C2 H2C 0.9700 .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C3 H3C 0.9700 .
C7 H7 0.9400 .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C8 H8C 0.9700 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C9 H9C 0.9700 .
C10 H10 0.9400 .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C11 H11C 0.9700 .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C12 H12C 0.9700 .
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
I3 Ag1 I1 Ag1 114.94(15) . 7_656
I2 Ag1 I1 Ag1 -117.07(15) . 7_656
I1 Ag1 I1 Ag1 0.0 7_656 7_656
Ag3 Ag1 I1 Ag1 58.22(12) 7_656 7_656
I3 Ag1 I1 Ag2 -135.10(13) . .
I2 Ag1 I1 Ag2 -7.11(11) . .
I1 Ag1 I1 Ag2 109.97(12) 7_656 .
Ag3 Ag1 I1 Ag2 168.19(15) 7_656 .
I3 Ag1 I1 Ag3 177.44(10) . .
I2 Ag1 I1 Ag3 -54.57(15) . .
I1 Ag1 I1 Ag3 62.51(12) 7_656 .
Ag3 Ag1 I1 Ag3 120.73(12) 7_656 .
I2 Ag2 I1 Ag1 78.99(13) . 7_656
I4 Ag2 I1 Ag1 -153.02(10) 2_655 7_656
I4 Ag2 I1 Ag1 -51.49(14) . 7_656
I2 Ag2 I1 Ag1 7.23(11) . .
I4 Ag2 I1 Ag1 135.22(11) 2_655 .
I4 Ag2 I1 Ag1 -123.26(13) . .
I2 Ag2 I1 Ag3 135.78(13) . .
I4 Ag2 I1 Ag3 -96.22(10) 2_655 .
I4 Ag2 I1 Ag3 5.30(10) . .
I5 Ag3 I1 Ag1 -123.95(11) . 7_656
I3 Ag3 I1 Ag1 6.03(10) 7_656 7_656
I4 Ag3 I1 Ag1 115.02(13) . 7_656
I5 Ag3 I1 Ag1 168.26(10) . .
I3 Ag3 I1 Ag1 -61.76(14) 7_656 .
I4 Ag3 I1 Ag1 47.23(15) . .
Ag1 Ag3 I1 Ag1 -67.79(13) 7_656 .
I5 Ag3 I1 Ag2 115.84(11) . .
I3 Ag3 I1 Ag2 -114.19(12) 7_656 .
I4 Ag3 I1 Ag2 -5.19(10) . .
Ag1 Ag3 I1 Ag2 -120.21(11) 7_656 .
I4 Ag2 I2 Ag1 -120.36(15) 2_655 .
I4 Ag2 I2 Ag1 125.25(13) . .
I1 Ag2 I2 Ag1 -7.31(11) . .
I3 Ag1 I2 Ag2 127.05(14) . .
I1 Ag1 I2 Ag2 -102.96(12) 7_656 .
I1 Ag1 I2 Ag2 7.41(12) . .
Ag3 Ag1 I2 Ag2 -166.98(18) 7_656 .
I2 Ag1 I3 Ag3 124.34(15) . 7_656
I1 Ag1 I3 Ag3 -6.41(11) 7_656 7_656
I1 Ag1 I3 Ag3 -115.68(13) . 7_656
I2 Ag2 I4 Ag2 118.84(9) . 2_655
I4 Ag2 I4 Ag2 -10.53(13) 2_655 2_655
I1 Ag2 I4 Ag2 -114.31(11) . 2_655
I2 Ag2 I4 Ag3 -132.23(14) . .
I4 Ag2 I4 Ag3 98.40(10) 2_655 .
I1 Ag2 I4 Ag3 -5.37(10) . .
I5 Ag3 I4 Ag2 -30.26(13) . 2_655
I3 Ag3 I4 Ag2 -165.90(10) 7_656 2_655
I1 Ag3 I4 Ag2 80.60(13) . 2_655
Ag1 Ag3 I4 Ag2 143.15(13) 7_656 2_655
I5 Ag3 I4 Ag2 -105.63(12) . .
I3 Ag3 I4 Ag2 118.73(11) 7_656 .
I1 Ag3 I4 Ag2 5.23(10) . .
Ag1 Ag3 I4 Ag2 67.78(13) 7_656 .
I3 Ag3 I5 Ag3 157.39(17) 7_656 2_655
I4 Ag3 I5 Ag3 35.55(7) . 2_655
I1 Ag3 I5 Ag3 -87.18(8) . 2_655
Ag1 Ag3 I5 Ag3 -138.15(15) 7_656 2_655
O2 Pr1 O1 C1 36(3) . .
O2 Pr1 O1 C1 120(3) 2_656 .
O4 Pr1 O1 C1 -167(4) . .
O4 Pr1 O1 C1 -61(3) 2_656 .
O1 Pr1 O1 C1 -115(3) 2_656 .
O3 Pr1 O1 C1 -15(4) . .
O3 Pr1 O1 C1 113(4) 2_656 .
O2 Pr1 O2 C4B -19(4) 2_656 .
O4 Pr1 O2 C4B 85(5) . .
O4 Pr1 O2 C4B -165(4) 2_656 .
O1 Pr1 O2 C4B 126(4) . .
O1 Pr1 O2 C4B -97(5) 2_656 .
O3 Pr1 O2 C4B -89(4) . .
O3 Pr1 O2 C4B 51(4) 2_656 .
O2 Pr1 O2 C4A 89(5) 2_656 .
O4 Pr1 O2 C4A -167(5) . .
O4 Pr1 O2 C4A -57(5) 2_656 .
O1 Pr1 O2 C4A -126(5) . .
O1 Pr1 O2 C4A 11(6) 2_656 .
O3 Pr1 O2 C4A 18(5) . .
O3 Pr1 O2 C4A 159(5) 2_656 .
O2 Pr1 O3 C7 142(4) . .
O2 Pr1 O3 C7 39(3) 2_656 .
O4 Pr1 O3 C7 -33(4) . .
O4 Pr1 O3 C7 -121(3) 2_656 .
O1 Pr1 O3 C7 -166(3) . .
O1 Pr1 O3 C7 -43(3) 2_656 .
O3 Pr1 O3 C7 90(3) 2_656 .
O2 Pr1 O4 C10 46(6) . .
O2 Pr1 O4 C10 152(5) 2_656 .
O4 Pr1 O4 C10 -62(5) 2_656 .
O1 Pr1 O4 C10 5(5) . .
O1 Pr1 O4 C10 -132(5) 2_656 .
O3 Pr1 O4 C10 -142(5) . .
O3 Pr1 O4 C10 80(5) 2_656 .
C2 N1 C1 O1 174(3) . .
C3 N1 C1 O1 -7(5) . .
Pr1 O1 C1 N1 154(3) . .
C4B O2 C4A N2 13(6) . .
Pr1 O2 C4A N2 -116(5) . .
C4B N2 C4A O2 -13(6) . .
C6A N2 C4A O2 176(6) . .
C5A N2 C4A O2 -19(10) . .
C6B N2 C4A O2 142(10) . .
C5B N2 C4A O2 137(17) . .
C4A O2 C4B N2 -13(6) . .
Pr1 O2 C4B N2 132(4) . .
C4A N2 C4B O2 13(6) . .
C6A N2 C4B O2 92(22) . .
C5A N2 C4B O2 -173(8) . .
C6B N2 C4B O2 -7(8) . .
C5B N2 C4B O2 -157(6) . .
C9 N3 C7 O3 -8(6) . .
C8 N3 C7 O3 167(4) . .
Pr1 O3 C7 N3 -177(3) . .
Pr1 O4 C10 N4 -135(4) . .
C11 N4 C10 O4 3(6) . .
C12 N4 C10 O4 177(3) . .
