#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:21:30 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179574 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/39/4503948.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_4503948
loop_
_publ_author_name
'Xu, Jing-Yuan'
'Zhao, Bin'
'Bian, He-Dong'
'Gu, Wen'
'Yan, Shi-Ping'
'Cheng, Peng'
'Liao, Dai-Zheng'
'Shen, Pan-Wen'
_publ_section_title
;
 Syntheses, Structures, and Properties of Novel Cagelike Complexes Based
 on Dodecanuclear Lanthanide with a Large Cavity
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1044
_journal_paper_doi               10.1021/cg0605032
_journal_volume                  7
_journal_year                    2007
_chemical_formula_sum            'C102 H219 N18 Na O131 Pr12'
_chemical_formula_weight         5507.86
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   25.329(4)
_cell_length_b                   25.329(4)
_cell_length_c                   45.031(6)
_cell_measurement_reflns_used    1009
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.09
_cell_measurement_theta_min      2.50
_cell_volume                     25019(7)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1370
_diffrn_reflns_av_sigmaI/netI    0.2024
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_limit_l_min       -53
_diffrn_reflns_number            28926
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    1.785
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.640509
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            virescent
_exptl_crystal_density_diffrn    1.097
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             8172
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.637
_refine_diff_density_min         -1.163
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     419
_refine_ls_number_reflns         9727
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.2128
_refine_ls_R_factor_gt           0.0653
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0802P)²+13.4950P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1415
_refine_ls_wR_factor_ref         0.2192
_reflns_number_gt                4302
_reflns_number_total             9727
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg0605032si20070310_071713.cif
_cod_data_source_block           021122b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Rhombohedral' changed to
'rhombohedral' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        25020(6)
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               4503948
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pr1 Pr 0.89195(4) 0.96935(4) 0.141936(17) 0.0362(2) Uani 1 1 d .
Pr2 Pr 0.85386(4) 1.00099(4) 0.057852(17) 0.0334(2) Uani 1 1 d .
Na1 Na 1.0000 1.0000 0.0000 0.037(3) Uani 1 6 d S
O1 O 0.8411(4) 1.0127(4) 0.1109(2) 0.039(2) Uani 1 1 d .
O2 O 0.8955(5) 1.0699(5) 0.0136(2) 0.043(3) Uani 1 1 d .
O3 O 0.9542(5) 1.1619(5) -0.0071(2) 0.049(3) Uani 1 1 d .
O4 O 0.7622(4) 1.0108(5) 0.0588(2) 0.051(3) Uani 1 1 d .
O5 O 0.7144(5) 1.0618(6) 0.0629(3) 0.091(4) Uani 1 1 d .
O6 O 0.7999(5) 0.8675(5) 0.1273(2) 0.057(3) Uani 1 1 d .
O7 O 0.7086(6) 0.7866(6) 0.1366(3) 0.088(4) Uani 1 1 d .
O8 O 0.8948(5) 1.0355(5) 0.1822(2) 0.057(3) Uani 1 1 d .
O9 O 0.8577(6) 1.0589(6) 0.2212(3) 0.083(4) Uani 1 1 d .
N1 N 0.8749(5) 1.1179(5) 0.0632(3) 0.039(3) Uani 1 1 d .
N2 N 0.7825(6) 0.9345(6) 0.1695(3) 0.049(3) Uani 1 1 d .
C1 C 0.8169(6) 1.0441(7) 0.1229(3) 0.036(4) Uani 1 1 d .
C2 C 0.8364(7) 1.1043(7) 0.1152(3) 0.041(4) Uani 1 1 d .
C3 C 0.8090(7) 1.1356(8) 0.1279(3) 0.050(4) Uani 1 1 d .
H3A H 0.8235 1.1762 0.1229 0.060 Uiso 1 1 calc R
C4 C 0.7606(8) 1.1068(8) 0.1475(3) 0.054(5) Uani 1 1 d .
C5 C 0.7413(7) 1.0472(8) 0.1550(3) 0.053(5) Uani 1 1 d .
H5A H 0.7093 1.0277 0.1684 0.064 Uiso 1 1 calc R
C6 C 0.7678(7) 1.0144(7) 0.1432(3) 0.044(4) Uani 1 1 d .
C7 C 0.8890(7) 1.1378(7) 0.0936(3) 0.047(4) Uani 1 1 d .
H7A H 0.9025 1.1810 0.0945 0.056 Uiso 1 1 calc R
H7B H 0.9228 1.1327 0.1000 0.056 Uiso 1 1 calc R
C8 C 0.7286(8) 1.1385(9) 0.1604(4) 0.071(6) Uani 1 1 d .
H8A H 0.7481 1.1798 0.1534 0.106 Uiso 1 1 calc R
H8B H 0.7308 1.1384 0.1816 0.106 Uiso 1 1 calc R
H8C H 0.6867 1.1175 0.1542 0.106 Uiso 1 1 calc R
C9 C 0.7434(7) 0.9486(8) 0.1504(4) 0.052(4) Uani 1 1 d .
H9A H 0.7043 0.9333 0.1602 0.062 Uiso 1 1 calc R
H9B H 0.7361 0.9263 0.1319 0.062 Uiso 1 1 calc R
C10 C 0.9257(7) 1.1584(7) 0.0439(3) 0.046(4) Uani 1 1 d .
H10A H 0.9638 1.1710 0.0542 0.056 Uiso 1 1 calc R
H10B H 0.9232 1.1947 0.0397 0.056 Uiso 1 1 calc R
C11 C 0.9258(7) 1.1281(9) 0.0147(4) 0.049(4) Uani 1 1 d .
C12 C 0.8195(7) 1.1182(7) 0.0532(4) 0.049(4) Uani 1 1 d .
H12A H 0.8227 1.1264 0.0320 0.059 Uiso 1 1 calc R
H12B H 0.8174 1.1511 0.0631 0.059 Uiso 1 1 calc R
C13 C 0.7618(8) 1.0597(10) 0.0591(4) 0.059(5) Uani 1 1 d .
C14 C 0.7509(7) 0.8663(8) 0.1724(4) 0.060(5) Uani 1 1 d .
H14A H 0.7089 0.8506 0.1784 0.072 Uiso 1 1 calc R
H14B H 0.7709 0.8552 0.1875 0.072 Uiso 1 1 calc R
C15 C 0.7529(8) 0.8382(8) 0.1426(4) 0.053(4) Uani 1 1 d .
C16 C 0.7929(8) 0.9659(8) 0.1976(4) 0.062(5) Uani 1 1 d .
H16A H 0.7911 0.9386 0.2131 0.074 Uiso 1 1 calc R
H16B H 0.7597 0.9738 0.2009 0.074 Uiso 1 1 calc R
C17 C 0.8523(8) 1.0257(9) 0.2009(4) 0.055(5) Uani 1 1 d .
N3 N 0.9961(7) 1.0800(6) 0.0921(3) 0.055(4) Uani 1 1 d .
O10 O 0.9746(4) 1.0637(4) 0.11838(19) 0.036(2) Uani 1 1 d .
O11 O 0.9627(4) 1.0699(4) 0.06859(19) 0.039(2) Uani 1 1 d .
O12 O 1.0543(4) 1.1075(4) 0.0889(2) 0.037(2) Uani 1 1 d .
O13 O 1.0000 1.0000 0.1608(4) 0.037(4) Uani 1 3 d S
H13A H 1.0000 1.0000 0.1825 0.044 Uiso 1 3 calc SR
O14 O 0.8850(5) 0.9046(5) 0.1867(2) 0.060(3) Uani 1 1 d .
H14C H 0.8626 0.8661 0.1860 0.072 Uiso 1 1 d R
H14D H 0.9051 0.9216 0.2024 0.072 Uiso 1 1 d R
O15 O 0.7694(5) 0.8919(4) 0.0696(2) 0.059(3) Uani 1 1 d .
H15A H 0.7780 0.8728 0.0826 0.071 Uiso 1 1 d R
H15B H 0.7502 0.8695 0.0545 0.071 Uiso 1 1 d R
O16 O 0.9067(4) 0.9545(4) 0.02728(19) 0.040(2) Uani 1 1 d .
H16C H 0.9105 0.9271 0.0410 0.048 Uiso 1 1 calc R
H16D H 0.8762 0.9285 0.0129 0.048 Uiso 1 1 calc R
O17 O 0.9452(6) 0.1553(6) 0.2531(4) 0.158(6) Uani 1 1 d .
H17C H 0.9552 0.1922 0.2495 0.239 Uiso 1 1 d R
H17D H 0.9675 0.1558 0.2674 0.239 Uiso 1 1 d R
O18 O 0.7281(8) 0.7922(10) 0.0261(4) 0.183(8) Uani 1 1 d .
H18C H 0.7066 0.7770 0.0105 0.278 Uiso 1 1 d R
H18D H 0.7605 0.7908 0.0241 0.278 Uiso 1 1 d R
O19 O 0.7641(8) 0.0383(9) 0.2592(4) 0.172(8) Uani 1 1 d .
H19C H 0.7938 0.0447 0.2474 0.261 Uiso 1 1 d R
H19D H 0.7274 0.0351 0.2548 0.261 Uiso 1 1 d R
O20 O 0.6947(9) 0.7150(10) 0.0883(5) 0.201(10) Uani 1 1 d .
H20C H 0.6901 0.6803 0.0845 0.305 Uiso 1 1 d R
H20D H 0.6632 0.7099 0.0976 0.305 Uiso 1 1 d R
O21 O 0.6204(14) 0.7133(14) 0.1757(9) 0.145(15) Uani 0.50 1 d P
O22 O 0.6545(13) 0.904(2) 0.0798(11) 0.20(2) Uani 0.50 1 d P
O23 O 0.6221(16) 0.989(3) 0.1052(10) 0.29(4) Uani 0.50 1 d P
O24 O 0.615(4) 0.802(4) 0.110(3) 0.25(6) Uani 0.25 1 d P
O25 O 1.047(2) 1.151(2) 0.2461(11) 0.202(19) Uiso 0.50 1 d P
O26 O 0.609(5) 0.890(5) 0.209(2) 0.23(4) Uiso 0.25 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
O8 Pr1 O12 151.4(3) . 2_765
O8 Pr1 O10 86.3(3) . .
O12 Pr1 O10 73.1(3) 2_765 .
O8 Pr1 O1 87.6(3) . .
O12 Pr1 O1 67.8(3) 2_765 .
O10 Pr1 O1 73.2(3) . .
O8 Pr1 O10 148.5(3) . 2_765
O12 Pr1 O10 52.7(3) 2_765 2_765
O10 Pr1 O10 88.6(4) . 2_765
O1 Pr1 O10 120.4(3) . 2_765
O8 Pr1 O14 79.8(4) . .
O12 Pr1 O14 128.8(3) 2_765 .
O10 Pr1 O14 135.1(3) . .
O1 Pr1 O14 147.2(3) . .
O10 Pr1 O14 82.1(3) 2_765 .
O8 Pr1 O6 125.7(4) . .
O12 Pr1 O6 67.8(3) 2_765 .
O10 Pr1 O6 139.8(3) . .
O1 Pr1 O6 83.5(3) . .
O10 Pr1 O6 75.3(3) 2_765 .
O14 Pr1 O6 79.7(4) . .
O8 Pr1 O13 83.5(4) . .
O12 Pr1 O13 105.1(4) 2_765 .
O10 Pr1 O13 66.2(3) . .
O1 Pr1 O13 138.9(3) . .
O10 Pr1 O13 66.1(3) 2_765 .
O14 Pr1 O13 69.9(4) . .
O6 Pr1 O13 133.1(3) . .
O8 Pr1 N2 64.2(4) . .
O12 Pr1 N2 119.1(3) 2_765 .
O10 Pr1 N2 136.8(3) . .
O1 Pr1 N2 74.6(3) . .
O10 Pr1 N2 133.0(3) 2_765 .
O14 Pr1 N2 72.7(4) . .
O6 Pr1 N2 61.8(4) . .
O13 Pr1 N2 134.0(4) . .
O8 Pr1 N3 165.4(4) . 2_765
O12 Pr1 N3 26.3(3) 2_765 2_765
O10 Pr1 N3 80.3(3) . 2_765
O1 Pr1 N3 94.1(4) . 2_765
O10 Pr1 N3 26.3(3) 2_765 2_765
O14 Pr1 N3 105.6(4) . 2_765
O6 Pr1 N3 68.9(3) . 2_765
O13 Pr1 N3 85.7(4) . 2_765
N2 Pr1 N3 130.2(4) . 2_765
O8 Pr1 Pr2 118.8(3) . .
O12 Pr1 Pr2 34.3(2) 2_765 .
O10 Pr1 Pr2 65.5(2) . .
O1 Pr1 Pr2 33.9(2) . .
O10 Pr1 Pr2 86.7(2) 2_765 .
O14 Pr1 Pr2 155.9(3) . .
O6 Pr1 Pr2 76.8(3) . .
O13 Pr1 Pr2 124.3(3) . .
N2 Pr1 Pr2 100.5(3) . .
N3 Pr1 Pr2 60.5(3) 2_765 .
O1 Pr2 O4 77.4(3) . .
O1 Pr2 O11 83.8(3) . .
O4 Pr2 O11 134.8(3) . .
O1 Pr2 O12 68.2(3) . 2_765
O4 Pr2 O12 134.6(3) . 2_765
O11 Pr2 O12 70.7(3) . 2_765
O1 Pr2 O2 136.5(3) . .
O4 Pr2 O2 91.9(3) . .
O11 Pr2 O2 74.4(3) . .
O12 Pr2 O2 133.5(3) 2_765 .
O1 Pr2 O15 80.8(3) . .
O4 Pr2 O15 77.5(4) . .
O11 Pr2 O15 139.3(3) . .
O12 Pr2 O15 68.6(3) 2_765 .
O2 Pr2 O15 138.4(3) . .
O1 Pr2 O16 135.0(3) . .
O4 Pr2 O16 142.1(3) . .
O11 Pr2 O16 77.0(3) . .
O12 Pr2 O16 67.0(3) 2_765 .
O2 Pr2 O16 76.1(3) . .
O15 Pr2 O16 87.8(3) . .
O1 Pr2 O3 143.2(3) . 12_655
O4 Pr2 O3 71.9(3) . 12_655
O11 Pr2 O3 132.6(3) . 12_655
O12 Pr2 O3 122.6(3) 2_765 12_655
O2 Pr2 O3 65.2(3) . 12_655
O15 Pr2 O3 73.3(3) . 12_655
O16 Pr2 O3 70.4(3) . 12_655
O1 Pr2 N1 75.5(3) . .
O4 Pr2 N1 64.7(4) . .
O11 Pr2 N1 71.0(3) . .
O12 Pr2 N1 129.1(3) 2_765 .
O2 Pr2 N1 62.1(3) . .
O15 Pr2 N1 138.7(3) . .
O16 Pr2 N1 132.4(3) . .
O3 Pr2 N1 108.0(3) 12_655 .
O1 Pr2 Pr1 34.7(2) . .
O4 Pr2 Pr1 109.4(2) . .
O11 Pr2 Pr1 70.5(2) . .
O12 Pr2 Pr1 34.0(2) 2_765 .
O2 Pr2 Pr1 144.5(2) . .
O15 Pr2 Pr1 75.5(2) . .
O16 Pr2 Pr1 100.2(2) . .
O3 Pr2 Pr1 147.6(2) 12_655 .
N1 Pr2 Pr1 101.1(2) . .
O16 Na1 O16 95.9(3) 12_655 11_565
O16 Na1 O16 95.9(3) 12_655 10_775
O16 Na1 O16 95.9(3) 11_565 10_775
O16 Na1 O16 84.1(3) 12_655 .
O16 Na1 O16 84.1(3) 11_565 .
O16 Na1 O16 180.000(1) 10_775 .
O16 Na1 O16 180.0(4) 12_655 3_675
O16 Na1 O16 84.1(3) 11_565 3_675
O16 Na1 O16 84.1(3) 10_775 3_675
O16 Na1 O16 95.9(3) . 3_675
O16 Na1 O16 84.1(3) 12_655 2_765
O16 Na1 O16 180.0(4) 11_565 2_765
O16 Na1 O16 84.1(3) 10_775 2_765
O16 Na1 O16 95.9(3) . 2_765
O16 Na1 O16 95.9(3) 3_675 2_765
C1 O1 Pr2 126.5(8) . .
C1 O1 Pr1 121.6(8) . .
Pr2 O1 Pr1 111.4(3) . .
C11 O2 Pr2 125.0(9) . .
C11 O3 Pr2 135.1(10) . 11_565
C13 O4 Pr2 125.5(10) . .
C15 O6 Pr1 125.1(11) . .
C17 O8 Pr1 128.1(11) . .
C7 N1 C10 110.0(12) . .
C7 N1 C12 111.1(12) . .
C10 N1 C12 108.6(12) . .
C7 N1 Pr2 110.0(9) . .
C10 N1 Pr2 109.3(8) . .
C12 N1 Pr2 107.8(9) . .
C16 N2 C9 109.5(13) . .
C16 N2 C14 113.7(12) . .
C9 N2 C14 106.9(12) . .
C16 N2 Pr1 109.9(10) . .
C9 N2 Pr1 110.5(8) . .
C14 N2 Pr1 106.3(9) . .
O1 C1 C2 122.2(13) . .
O1 C1 C6 119.1(13) . .
C2 C1 C6 118.6(13) . .
C1 C2 C3 120.7(14) . .
C1 C2 C7 120.2(13) . .
C3 C2 C7 119.1(15) . .
C4 C3 C2 121.1(16) . .
C4 C3 H3A 119.4 . .
C2 C3 H3A 119.4 . .
C5 C4 C3 118.0(15) . .
C5 C4 C8 119.8(15) . .
C3 C4 C8 122.2(17) . .
C4 C5 C6 122.7(15) . .
C4 C5 H5A 118.6 . .
C6 C5 H5A 118.6 . .
C5 C6 C1 118.7(15) . .
C5 C6 C9 121.4(14) . .
C1 C6 C9 119.7(13) . .
N1 C7 C2 114.7(12) . .
N1 C7 H7A 108.6 . .
C2 C7 H7A 108.6 . .
N1 C7 H7B 108.6 . .
C2 C7 H7B 108.6 . .
H7A C7 H7B 107.6 . .
C4 C8 H8A 109.5 . .
C4 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C4 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N2 C9 C6 116.1(13) . .
N2 C9 H9A 108.3 . .
C6 C9 H9A 108.3 . .
N2 C9 H9B 108.3 . .
C6 C9 H9B 108.3 . .
H9A C9 H9B 107.4 . .
N1 C10 C11 112.6(13) . .
N1 C10 H10A 109.1 . .
C11 C10 H10A 109.1 . .
N1 C10 H10B 109.1 . .
C11 C10 H10B 109.1 . .
H10A C10 H10B 107.8 . .
O3 C11 O2 124.1(14) . .
O3 C11 C10 118.3(16) . .
O2 C11 C10 117.5(14) . .
N1 C12 C13 113.5(13) . .
N1 C12 H12A 108.9 . .
C13 C12 H12A 108.9 . .
N1 C12 H12B 108.9 . .
C13 C12 H12B 108.9 . .
H12A C12 H12B 107.7 . .
O4 C13 O5 122.4(18) . .
O4 C13 C12 119.7(14) . .
O5 C13 C12 117.9(17) . .
N2 C14 C15 109.6(13) . .
N2 C14 H14A 109.8 . .
C15 C14 H14A 109.8 . .
N2 C14 H14B 109.8 . .
C15 C14 H14B 109.8 . .
H14A C14 H14B 108.2 . .
O6 C15 O7 126.0(17) . .
O6 C15 C14 116.9(15) . .
O7 C15 C14 117.0(16) . .
N2 C16 C17 117.0(13) . .
N2 C16 H16A 108.0 . .
C17 C16 H16A 108.0 . .
N2 C16 H16B 108.0 . .
C17 C16 H16B 108.0 . .
H16A C16 H16B 107.3 . .
O9 C17 O8 124.7(18) . .
O9 C17 C16 119.0(15) . .
O8 C17 C16 116.2(15) . .
O10 N3 O12 117.7(13) . .
O10 N3 O11 124.0(14) . .
O12 N3 O11 118.4(13) . .
O10 N3 Pr1 59.8(7) . 3_675
O12 N3 Pr1 57.9(7) . 3_675
O11 N3 Pr1 176.2(12) . 3_675
N3 O10 Pr1 136.0(9) . .
N3 O10 Pr1 93.9(8) . 3_675
Pr1 O10 Pr1 115.9(3) . 3_675
N3 O11 Pr2 133.5(9) . .
N3 O12 Pr1 95.8(8) . 3_675
N3 O12 Pr2 151.8(9) . 3_675
Pr1 O12 Pr2 111.7(3) 3_675 3_675
Pr1 O13 Pr1 109.8(3) . 3_675
Pr1 O13 Pr1 109.8(3) . 2_765
Pr1 O13 Pr1 109.8(3) 3_675 2_765
Pr1 O13 H13A 109.1 . .
Pr1 O13 H13A 109.1 3_675 .
Pr1 O13 H13A 109.1 2_765 .
Pr1 O14 H14C 120.0 . .
Pr1 O14 H14D 120.0 . .
H14C O14 H14D 120.0 . .
Pr2 O15 H15A 116.1 . .
Pr2 O15 H15B 115.9 . .
H15A O15 H15B 112.8 . .
Na1 O16 Pr2 132.0(4) . .
Na1 O16 H16C 104.2 . .
Pr2 O16 H16C 104.2 . .
Na1 O16 H16D 104.2 . .
Pr2 O16 H16D 104.2 . .
H16C O16 H16D 105.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pr1 O8 2.445(10) .
Pr1 O12 2.457(9) 2_765
Pr1 O10 2.493(9) .
Pr1 O1 2.498(9) .
Pr1 O10 2.498(9) 2_765
Pr1 O14 2.549(10) .
Pr1 O6 2.551(11) .
Pr1 O13 2.586(5) .
Pr1 N2 2.748(13) .
Pr1 N3 2.885(14) 2_765
Pr1 Pr2 4.0846(12) .
Pr2 O1 2.448(9) .
Pr2 O4 2.456(10) .
Pr2 O11 2.463(9) .
Pr2 O12 2.477(9) 2_765
Pr2 O2 2.508(10) .
Pr2 O15 2.566(10) .
Pr2 O16 2.578(9) .
Pr2 O3 2.684(10) 12_655
Pr2 N1 2.746(12) .
Na1 O16 2.387(9) 12_655
Na1 O16 2.387(9) 11_565
Na1 O16 2.387(9) 10_775
Na1 O16 2.387(9) .
Na1 O16 2.387(9) 3_675
Na1 O16 2.387(9) 2_765
O1 C1 1.338(15) .
O2 C11 1.278(18) .
O3 C11 1.265(18) .
O3 Pr2 2.684(10) 11_565
O4 C13 1.242(19) .
O5 C13 1.242(17) .
O6 C15 1.250(18) .
O7 C15 1.255(18) .
O8 C17 1.290(17) .
O9 C17 1.203(18) .
N1 C7 1.438(17) .
N1 C10 1.465(17) .
N1 C12 1.478(17) .
N2 C16 1.446(19) .
N2 C9 1.482(18) .
N2 C14 1.504(19) .
C1 C2 1.392(19) .
C1 C6 1.417(19) .
C2 C3 1.409(19) .
C2 C7 1.522(19) .
C3 C4 1.39(2) .
C3 H3A 0.9300 .
C4 C5 1.38(2) .
C4 C8 1.51(2) .
C5 C6 1.41(2) .
C5 H5A 0.9300 .
C6 C9 1.50(2) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.52(2) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C12 C13 1.50(2) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C14 C15 1.53(2) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C16 C17 1.52(2) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
N3 O10 1.283(16) .
N3 O12 1.286(15) .
N3 O11 1.298(15) .
N3 Pr1 2.885(14) 3_675
O10 Pr1 2.498(9) 3_675
O12 Pr1 2.457(9) 3_675
O12 Pr2 2.477(9) 3_675
O13 Pr1 2.586(5) 3_675
O13 Pr1 2.586(5) 2_765
O13 H13A 0.9800 .
O14 H14C 0.8500 .
O14 H14D 0.8499 .
O15 H15A 0.8520 .
O15 H15B 0.8617 .
O16 H16C 0.9700 .
O16 H16D 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
O8 Pr1 Pr2 O1 -25.6(5) . .
O12 Pr1 Pr2 O1 167.9(5) 2_765 .
O10 Pr1 Pr2 O1 -96.3(4) . .
O10 Pr1 Pr2 O1 173.7(4) 2_765 .
O14 Pr1 Pr2 O1 111.5(7) . .
O6 Pr1 Pr2 O1 98.1(4) . .
O13 Pr1 Pr2 O1 -128.2(4) . .
N2 Pr1 Pr2 O1 40.6(5) . .
N3 Pr1 Pr2 O1 171.1(5) 2_765 .
O8 Pr1 Pr2 O4 -49.5(4) . .
O12 Pr1 Pr2 O4 144.0(5) 2_765 .
O10 Pr1 Pr2 O4 -120.1(4) . .
O1 Pr1 Pr2 O4 -23.9(5) . .
O10 Pr1 Pr2 O4 149.9(3) 2_765 .
O14 Pr1 Pr2 O4 87.6(6) . .
O6 Pr1 Pr2 O4 74.2(4) . .
O13 Pr1 Pr2 O4 -152.1(3) . .
N2 Pr1 Pr2 O4 16.7(4) . .
N3 Pr1 Pr2 O4 147.3(4) 2_765 .
O8 Pr1 Pr2 O11 82.4(4) . .
O12 Pr1 Pr2 O11 -84.1(5) 2_765 .
O10 Pr1 Pr2 O11 11.7(3) . .
O1 Pr1 Pr2 O11 108.0(4) . .
O10 Pr1 Pr2 O11 -78.3(3) 2_765 .
O14 Pr1 Pr2 O11 -140.6(6) . .
O6 Pr1 Pr2 O11 -153.9(3) . .
O13 Pr1 Pr2 O11 -20.3(3) . .
N2 Pr1 Pr2 O11 148.6(4) . .
N3 Pr1 Pr2 O11 -80.9(3) 2_765 .
O8 Pr1 Pr2 O12 166.5(5) . 2_765
O10 Pr1 Pr2 O12 95.8(5) . 2_765
O1 Pr1 Pr2 O12 -167.9(5) . 2_765
O10 Pr1 Pr2 O12 5.8(4) 2_765 2_765
O14 Pr1 Pr2 O12 -56.5(7) . 2_765
O6 Pr1 Pr2 O12 -69.8(5) . 2_765
O13 Pr1 Pr2 O12 63.8(4) . 2_765
N2 Pr1 Pr2 O12 -127.3(5) . 2_765
N3 Pr1 Pr2 O12 3.2(5) 2_765 2_765
O8 Pr1 Pr2 O2 74.2(5) . .
O12 Pr1 Pr2 O2 -92.3(5) 2_765 .
O10 Pr1 Pr2 O2 3.5(5) . .
O1 Pr1 Pr2 O2 99.8(5) . .
O10 Pr1 Pr2 O2 -86.4(4) 2_765 .
O14 Pr1 Pr2 O2 -148.7(7) . .
O6 Pr1 Pr2 O2 -162.1(5) . .
O13 Pr1 Pr2 O2 -28.4(4) . .
N2 Pr1 Pr2 O2 140.4(5) . .
N3 Pr1 Pr2 O2 -89.0(5) 2_765 .
O8 Pr1 Pr2 O15 -120.4(4) . .
O12 Pr1 Pr2 O15 73.1(5) 2_765 .
O10 Pr1 Pr2 O15 169.0(3) . .
O1 Pr1 Pr2 O15 -94.8(4) . .
O10 Pr1 Pr2 O15 79.0(3) 2_765 .
O14 Pr1 Pr2 O15 16.7(6) . .
O6 Pr1 Pr2 O15 3.4(4) . .
O13 Pr1 Pr2 O15 137.0(3) . .
N2 Pr1 Pr2 O15 -54.2(4) . .
N3 Pr1 Pr2 O15 76.4(4) 2_765 .
O8 Pr1 Pr2 O16 154.6(4) . .
O12 Pr1 Pr2 O16 -11.9(5) 2_765 .
O10 Pr1 Pr2 O16 83.9(3) . .
O1 Pr1 Pr2 O16 -179.8(4) . .
O10 Pr1 Pr2 O16 -6.1(3) 2_765 .
O14 Pr1 Pr2 O16 -68.4(6) . .
O6 Pr1 Pr2 O16 -81.7(3) . .
O13 Pr1 Pr2 O16 51.9(3) . .
N2 Pr1 Pr2 O16 -139.2(4) . .
N3 Pr1 Pr2 O16 -8.7(3) 2_765 .
O8 Pr1 Pr2 O3 -136.0(5) . 12_655
O12 Pr1 Pr2 O3 57.5(6) 2_765 12_655
O10 Pr1 Pr2 O3 153.3(5) . 12_655
O1 Pr1 Pr2 O3 -110.5(5) . 12_655
O10 Pr1 Pr2 O3 63.3(5) 2_765 12_655
O14 Pr1 Pr2 O3 1.0(7) . 12_655
O6 Pr1 Pr2 O3 -12.3(5) . 12_655
O13 Pr1 Pr2 O3 121.3(4) . 12_655
N2 Pr1 Pr2 O3 -69.8(5) . 12_655
N3 Pr1 Pr2 O3 60.7(5) 2_765 12_655
O8 Pr1 Pr2 N1 17.4(4) . .
O12 Pr1 Pr2 N1 -149.1(5) 2_765 .
O10 Pr1 Pr2 N1 -53.3(3) . .
O1 Pr1 Pr2 N1 43.0(4) . .
O10 Pr1 Pr2 N1 -143.3(3) 2_765 .
O14 Pr1 Pr2 N1 154.4(6) . .
O6 Pr1 Pr2 N1 141.1(4) . .
O13 Pr1 Pr2 N1 -85.3(3) . .
N2 Pr1 Pr2 N1 83.6(4) . .
N3 Pr1 Pr2 N1 -145.9(4) 2_765 .
O4 Pr2 O1 C1 -30.6(10) . .
O11 Pr2 O1 C1 108.0(10) . .
O12 Pr2 O1 C1 179.7(11) 2_765 .
O2 Pr2 O1 C1 48.6(12) . .
O15 Pr2 O1 C1 -109.8(10) . .
O16 Pr2 O1 C1 172.7(9) . .
O3 Pr2 O1 C1 -64.5(12) 12_655 .
N1 Pr2 O1 C1 36.1(10) . .
Pr1 Pr2 O1 C1 172.4(12) . .
O4 Pr2 O1 Pr1 156.9(4) . .
O11 Pr2 O1 Pr1 -64.4(4) . .
O12 Pr2 O1 Pr1 7.2(3) 2_765 .
O2 Pr2 O1 Pr1 -123.8(4) . .
O15 Pr2 O1 Pr1 77.8(4) . .
O16 Pr2 O1 Pr1 0.3(6) . .
O3 Pr2 O1 Pr1 123.0(5) 12_655 .
N1 Pr2 O1 Pr1 -136.3(4) . .
O8 Pr1 O1 C1 -15.1(10) . .
O12 Pr1 O1 C1 179.8(10) 2_765 .
O10 Pr1 O1 C1 -102.0(10) . .
O10 Pr1 O1 C1 179.9(9) 2_765 .
O14 Pr1 O1 C1 51.8(12) . .
O6 Pr1 O1 C1 111.2(10) . .
O13 Pr1 O1 C1 -92.5(11) . .
N2 Pr1 O1 C1 48.7(10) . .
N3 Pr1 O1 C1 179.4(10) 2_765 .
Pr2 Pr1 O1 C1 -172.9(12) . .
O8 Pr1 O1 Pr2 157.7(4) . .
O12 Pr1 O1 Pr2 -7.3(3) 2_765 .
O10 Pr1 O1 Pr2 70.9(4) . .
O10 Pr1 O1 Pr2 -7.2(5) 2_765 .
O14 Pr1 O1 Pr2 -135.3(5) . .
O6 Pr1 O1 Pr2 -75.9(4) . .
O13 Pr1 O1 Pr2 80.4(6) . .
N2 Pr1 O1 Pr2 -138.4(4) . .
N3 Pr1 O1 Pr2 -7.7(4) 2_765 .
O1 Pr2 O2 C11 10.4(13) . .
O4 Pr2 O2 C11 84.0(11) . .
O11 Pr2 O2 C11 -52.3(11) . .
O12 Pr2 O2 C11 -94.6(12) 2_765 .
O15 Pr2 O2 C11 157.3(10) . .
O16 Pr2 O2 C11 -132.4(12) . .
O3 Pr2 O2 C11 153.1(12) 12_655 .
N1 Pr2 O2 C11 24.1(11) . .
Pr1 Pr2 O2 C11 -44.3(13) . .
O1 Pr2 O4 C13 84.8(13) . .
O11 Pr2 O4 C13 17.0(15) . .
O12 Pr2 O4 C13 125.9(13) 2_765 .
O2 Pr2 O4 C13 -52.7(13) . .
O15 Pr2 O4 C13 167.9(13) . .
O16 Pr2 O4 C13 -122.3(13) . .
O3 Pr2 O4 C13 -115.8(13) 12_655 .
N1 Pr2 O4 C13 5.1(13) . .
Pr1 Pr2 O4 C13 98.4(13) . .
O8 Pr1 O6 C15 -13.8(14) . .
O12 Pr1 O6 C15 -164.8(14) 2_765 .
O10 Pr1 O6 C15 -150.5(12) . .
O1 Pr1 O6 C15 -96.3(13) . .
O10 Pr1 O6 C15 139.9(13) 2_765 .
O14 Pr1 O6 C15 55.5(13) . .
O13 Pr1 O6 C15 105.0(13) . .
N2 Pr1 O6 C15 -20.3(12) . .
N3 Pr1 O6 C15 166.8(14) 2_765 .
Pr2 Pr1 O6 C15 -130.0(13) . .
O12 Pr1 O8 C17 113.5(13) 2_765 .
O10 Pr1 O8 C17 156.9(13) . .
O1 Pr1 O8 C17 83.6(13) . .
O10 Pr1 O8 C17 -121.8(12) 2_765 .
O14 Pr1 O8 C17 -66.0(13) . .
O6 Pr1 O8 C17 3.2(14) . .
O13 Pr1 O8 C17 -136.7(13) . .
N2 Pr1 O8 C17 9.5(12) . .
Pr2 Pr1 O8 C17 97.5(13) . .
O1 Pr2 N1 C7 19.3(9) . .
O4 Pr2 N1 C7 102.0(9) . .
O11 Pr2 N1 C7 -69.0(9) . .
O12 Pr2 N1 C7 -26.0(11) 2_765 .
O2 Pr2 N1 C7 -151.0(10) . .
O15 Pr2 N1 C7 76.2(10) . .
O16 Pr2 N1 C7 -119.5(9) . .
O3 Pr2 N1 C7 161.0(9) 12_655 .
Pr1 Pr2 N1 C7 -4.3(9) . .
O1 Pr2 N1 C10 140.2(10) . .
O4 Pr2 N1 C10 -137.1(10) . .
O11 Pr2 N1 C10 51.9(9) . .
O12 Pr2 N1 C10 94.9(10) 2_765 .
O2 Pr2 N1 C10 -30.1(9) . .
O15 Pr2 N1 C10 -162.9(8) . .
O16 Pr2 N1 C10 1.4(11) . .
O3 Pr2 N1 C10 -78.0(10) 12_655 .
Pr1 Pr2 N1 C10 116.6(9) . .
O1 Pr2 N1 C12 -102.0(9) . .
O4 Pr2 N1 C12 -19.3(8) . .
O11 Pr2 N1 C12 169.7(9) . .
O12 Pr2 N1 C12 -147.3(8) 2_765 .
O2 Pr2 N1 C12 87.7(9) . .
O15 Pr2 N1 C12 -45.1(11) . .
O16 Pr2 N1 C12 119.3(8) . .
O3 Pr2 N1 C12 39.8(9) 12_655 .
Pr1 Pr2 N1 C12 -125.6(8) . .
O8 Pr1 N2 C16 -16.4(10) . .
O12 Pr1 N2 C16 -164.3(9) 2_765 .
O10 Pr1 N2 C16 -68.3(11) . .
O1 Pr1 N2 C16 -111.3(11) . .
O10 Pr1 N2 C16 131.2(10) 2_765 .
O14 Pr1 N2 C16 70.4(10) . .
O6 Pr1 N2 C16 157.8(11) . .
O13 Pr1 N2 C16 33.7(12) . .
N3 Pr1 N2 C16 166.5(10) 2_765 .
Pr2 Pr1 N2 C16 -133.5(10) . .
O8 Pr1 N2 C9 104.5(10) . .
O12 Pr1 N2 C9 -43.4(11) 2_765 .
O10 Pr1 N2 C9 52.6(11) . .
O1 Pr1 N2 C9 9.6(9) . .
O10 Pr1 N2 C9 -107.9(10) 2_765 .
O14 Pr1 N2 C9 -168.7(11) . .
O6 Pr1 N2 C9 -81.3(10) . .
O13 Pr1 N2 C9 154.6(8) . .
N3 Pr1 N2 C9 -72.6(11) 2_765 .
Pr2 Pr1 N2 C9 -12.6(10) . .
O8 Pr1 N2 C14 -139.9(10) . .
O12 Pr1 N2 C14 72.2(10) 2_765 .
O10 Pr1 N2 C14 168.3(8) . .
O1 Pr1 N2 C14 125.2(10) . .
O10 Pr1 N2 C14 7.7(11) 2_765 .
O14 Pr1 N2 C14 -53.1(9) . .
O6 Pr1 N2 C14 34.3(9) . .
O13 Pr1 N2 C14 -89.8(9) . .
N3 Pr1 N2 C14 43.0(11) 2_765 .
Pr2 Pr1 N2 C14 103.1(9) . .
Pr2 O1 C1 C2 -51.4(18) . .
Pr1 O1 C1 C2 120.3(13) . .
Pr2 O1 C1 C6 125.6(12) . .
Pr1 O1 C1 C6 -62.7(15) . .
O1 C1 C2 C3 178.6(13) . .
C6 C1 C2 C3 2(2) . .
O1 C1 C2 C7 -3(2) . .
C6 C1 C2 C7 179.8(13) . .
C1 C2 C3 C4 -2(2) . .
C7 C2 C3 C4 179.5(14) . .
C2 C3 C4 C5 2(2) . .
C2 C3 C4 C8 -177.3(15) . .
C3 C4 C5 C6 -1(3) . .
C8 C4 C5 C6 178.1(15) . .
C4 C5 C6 C1 1(2) . .
C4 C5 C6 C9 -176.4(15) . .
O1 C1 C6 C5 -177.9(13) . .
C2 C1 C6 C5 -1(2) . .
O1 C1 C6 C9 -1(2) . .
C2 C1 C6 C9 176.2(14) . .
C10 N1 C7 C2 172.4(12) . .
C12 N1 C7 C2 52.1(17) . .
Pr2 N1 C7 C2 -67.2(13) . .
C1 C2 C7 N1 71.7(18) . .
C3 C2 C7 N1 -110.0(15) . .
C16 N2 C9 C6 59.5(16) . .
C14 N2 C9 C6 -176.9(13) . .
Pr1 N2 C9 C6 -61.7(14) . .
C5 C6 C9 N2 -110.4(16) . .
C1 C6 C9 N2 72.7(18) . .
C7 N1 C10 C11 157.7(13) . .
C12 N1 C10 C11 -80.5(15) . .
Pr2 N1 C10 C11 36.8(14) . .
Pr2 O3 C11 O2 -23(2) 11_565 .
Pr2 O3 C11 C10 159.2(10) 11_565 .
Pr2 O2 C11 O3 168.9(11) . .
Pr2 O2 C11 C10 -13.1(19) . .
N1 C10 C11 O3 158.6(13) . .
N1 C10 C11 O2 -20(2) . .
C7 N1 C12 C13 -88.8(16) . .
C10 N1 C12 C13 150.0(13) . .
Pr2 N1 C12 C13 31.7(15) . .
Pr2 O4 C13 O5 -171.8(13) . .
Pr2 O4 C13 C12 11(2) . .
N1 C12 C13 O4 -31(2) . .
N1 C12 C13 O5 151.6(15) . .
C16 N2 C14 C15 -169.3(14) . .
C9 N2 C14 C15 69.8(15) . .
Pr1 N2 C14 C15 -48.2(14) . .
Pr1 O6 C15 O7 -175.9(13) . .
Pr1 O6 C15 C14 0(2) . .
N2 C14 C15 O6 36(2) . .
N2 C14 C15 O7 -147.9(15) . .
C9 N2 C16 C17 -97.9(17) . .
C14 N2 C16 C17 142.6(15) . .
Pr1 N2 C16 C17 23.6(18) . .
Pr1 O8 C17 O9 176.1(13) . .
Pr1 O8 C17 C16 0(2) . .
N2 C16 C17 O9 165.6(16) . .
N2 C16 C17 O8 -18(2) . .
O12 N3 O10 Pr1 -132.9(11) . .
O11 N3 O10 Pr1 46.5(19) . .
Pr1 N3 O10 Pr1 -134.5(12) 3_675 .
O12 N3 O10 Pr1 1.7(12) . 3_675
O11 N3 O10 Pr1 -178.9(11) . 3_675
O8 Pr1 O10 N3 -159.2(13) . .
O12 Pr1 O10 N3 0.7(12) 2_765 .
O1 Pr1 O10 N3 -70.6(12) . .
O10 Pr1 O10 N3 51.8(13) 2_765 .
O14 Pr1 O10 N3 129.2(12) . .
O6 Pr1 O10 N3 -13.2(15) . .
O13 Pr1 O10 N3 116.2(13) . .
N2 Pr1 O10 N3 -114.1(13) . .
N3 Pr1 O10 N3 26.7(13) 2_765 .
Pr2 Pr1 O10 N3 -35.2(12) . .
O8 Pr1 O10 Pr1 73.0(4) . 3_675
O12 Pr1 O10 Pr1 -127.1(5) 2_765 3_675
O1 Pr1 O10 Pr1 161.7(5) . 3_675
O10 Pr1 O10 Pr1 -75.9(4) 2_765 3_675
O14 Pr1 O10 Pr1 1.5(7) . 3_675
O6 Pr1 O10 Pr1 -140.9(4) . 3_675
O13 Pr1 O10 Pr1 -11.5(4) . 3_675
N2 Pr1 O10 Pr1 118.2(5) . 3_675
N3 Pr1 O10 Pr1 -101.0(5) 2_765 3_675
Pr2 Pr1 O10 Pr1 -162.9(4) . 3_675
O10 N3 O11 Pr2 -16.8(19) . .
O12 N3 O11 Pr2 162.6(8) . .
Pr1 N3 O11 Pr2 177(100) 3_675 .
O1 Pr2 O11 N3 28.9(11) . .
O4 Pr2 O11 N3 94.2(12) . .
O12 Pr2 O11 N3 -40.2(11) 2_765 .
O2 Pr2 O11 N3 171.0(12) . .
O15 Pr2 O11 N3 -39.1(13) . .
O16 Pr2 O11 N3 -110.1(11) . .
O3 Pr2 O11 N3 -157.2(10) 12_655 .
N1 Pr2 O11 N3 105.6(11) . .
Pr1 Pr2 O11 N3 -4.1(10) . .
O10 N3 O12 Pr1 -1.7(12) . 3_675
O11 N3 O12 Pr1 178.9(10) . 3_675
O10 N3 O12 Pr2 165.8(12) . 3_675
O11 N3 O12 Pr2 -14(2) . 3_675
Pr1 N3 O12 Pr2 167.5(19) 3_675 3_675
O8 Pr1 O13 Pr1 -78.3(5) . 3_675
O12 Pr1 O13 Pr1 74.0(5) 2_765 3_675
O10 Pr1 O13 Pr1 10.6(4) . 3_675
O1 Pr1 O13 Pr1 0.6(8) . 3_675
O10 Pr1 O13 Pr1 110.2(6) 2_765 3_675
O14 Pr1 O13 Pr1 -159.7(6) . 3_675
O6 Pr1 O13 Pr1 147.5(4) . 3_675
N2 Pr1 O13 Pr1 -122.3(6) . 3_675
N3 Pr1 O13 Pr1 91.9(5) 2_765 3_675
Pr2 Pr1 O13 Pr1 42.4(5) . 3_675
O8 Pr1 O13 Pr1 161.0(5) . 2_765
O12 Pr1 O13 Pr1 -46.8(5) 2_765 2_765
O10 Pr1 O13 Pr1 -110.2(6) . 2_765
O1 Pr1 O13 Pr1 -120.2(3) . 2_765
O10 Pr1 O13 Pr1 -10.6(4) 2_765 2_765
O14 Pr1 O13 Pr1 79.5(4) . 2_765
O6 Pr1 O13 Pr1 26.7(8) . 2_765
N2 Pr1 O13 Pr1 116.9(6) . 2_765
N3 Pr1 O13 Pr1 -28.9(5) 2_765 2_765
Pr2 Pr1 O13 Pr1 -78.4(3) . 2_765
O16 Na1 O16 Pr2 -155.6(6) 12_655 .
O16 Na1 O16 Pr2 -59.0(3) 11_565 .
O16 Na1 O16 Pr2 78(100) 10_775 .
O16 Na1 O16 Pr2 24.4(6) 3_675 .
O16 Na1 O16 Pr2 121.0(3) 2_765 .
O1 Pr2 O16 Na1 -104.3(5) . .
O4 Pr2 O16 Na1 114.6(6) . .
O11 Pr2 O16 Na1 -37.1(5) . .
O12 Pr2 O16 Na1 -111.3(6) 2_765 .
O2 Pr2 O16 Na1 39.8(5) . .
O15 Pr2 O16 Na1 -178.9(5) . .
O3 Pr2 O16 Na1 108.0(5) 12_655 .
N1 Pr2 O16 Na1 11.3(7) . .
Pr1 Pr2 O16 Na1 -104.1(5) . .
