#------------------------------------------------------------------------------
#$Date: 2021-04-29 12:40:13 +0300 (Thu, 29 Apr 2021) $
#$Revision: 264697 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/22/1562286.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_1562286
loop_
_publ_author_name
'Song, Xue-Qin'
'Lei, Yao-Kun'
'Wang, Xiao-Run'
'Zhao, Meng-Meng'
'Peng, Yun-Qiao'
'Cheng, Guo-Quan'
_publ_section_title
;
 Lanthanide coordination polymers: Synthesis, diverse structure and
 luminescence properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              202
_journal_page_last               212
_journal_paper_doi               10.1016/j.jssc.2014.06.025
_journal_volume                  218
_journal_year                    2014
_chemical_formula_sum            'C102 H96 N12 O36 Pr2'
_chemical_formula_weight         2347.73
_space_group_IT_number           143
_space_group_name_Hall           'P 3'
_space_group_name_H-M_alt        'P 3'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   19.060(3)
_cell_length_b                   19.060(3)
_cell_length_c                   11.965(3)
_cell_measurement_reflns_used    3700
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.321
_cell_measurement_theta_min      2.468
_cell_volume                     3764.3(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      298(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0840
_diffrn_reflns_av_sigmaI/netI    0.1188
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            19156
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    0.702
_exptl_absorpt_correction_T_max  0.9267
_exptl_absorpt_correction_T_min  0.6861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.036
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1198
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.243
_refine_diff_density_min         -1.319
_refine_diff_density_rms         0.113
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_extinction_coef       0.027(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_matrix_type           full
_refine_ls_number_parameters     458
_refine_ls_number_reflns         8282
_refine_ls_number_restraints     1224
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.1764
_refine_ls_R_factor_gt           0.0884
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1656P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2218
_refine_ls_wR_factor_ref         0.2872
_reflns_number_gt                3936
_reflns_number_total             8282
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2014-218-202.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the built-in table derived
from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_cell_volume        3764.4(12)
_cod_original_sg_symbol_H-M      P3
_cod_database_code               1562286
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pr1 Pr 1.0000 1.0000 0.03999(17) 0.0720(7) Uani 1 3 d S . .
Pr2 Pr 0.6667 0.3333 1.26547(18) 0.0722(6) Uani 1 3 d SU . .
N1 N 0.9293(12) 0.8228(13) 0.3204(19) 0.123(4) Uani 1 1 d DU . .
H1 H 0.8992 0.7826 0.3633 0.148 Uiso 1 1 calc R . .
N2 N 0.7232(13) 0.5167(13) 1.0012(19) 0.149(5) Uani 1 1 d DU . .
H2 H 0.7440 0.5602 0.9617 0.179 Uiso 1 1 calc R . .
N3 N 1.0849(17) 0.929(2) -0.095(2) 0.104(6) Uani 1 1 d U . .
N4 N 0.5961(16) 0.1859(16) 1.395(2) 0.098(6) Uani 1 1 d U . .
O1 O 0.7959(13) 0.6979(11) 0.3670(15) 0.114(4) Uani 1 1 d U . .
O2 O 0.8698(14) 0.6436(11) 0.9381(17) 0.124(4) Uani 1 1 d U . .
O3 O 0.9324(11) 0.8878(11) 0.1634(14) 0.088(3) Uani 1 1 d U . .
O4 O 1.0767(11) 0.8064(11) 0.4201(15) 0.205(6) Uani 1 1 d DU . .
O5 O 0.7341(13) 0.4432(11) 1.1340(15) 0.112(5) Uani 1 1 d U . .
O6 O 0.5300(11) 0.4841(11) 0.9271(15) 0.229(7) Uani 1 1 d DU . .
O7 O 1.0412(11) 0.8935(10) -0.0077(15) 0.090(4) Uani 1 1 d U . .
O8 O 1.0931(10) 0.9955(12) -0.1109(12) 0.094(5) Uani 1 1 d U . .
O9 O 1.1041(16) 0.8894(14) -0.151(2) 0.145(7) Uani 1 1 d U . .
O10 O 0.6668(9) 0.2438(11) 1.4167(14) 0.108(5) Uani 1 1 d U . .
O11 O 0.5613(11) 0.1918(13) 1.3124(17) 0.104(5) Uani 1 1 d U . .
O12 O 0.5729(13) 0.1261(16) 1.461(3) 0.170(9) Uani 1 1 d U . .
C1 C 0.7951(12) 0.6486(11) 0.5522(16) 0.108(4) Uani 1 1 d DU . .
C2 C 0.8011(12) 0.7085(12) 0.6215(14) 0.119(5) Uani 1 1 d DU . .
C3 C 0.8438(11) 0.7268(16) 0.7188(18) 0.120(5) Uani 1 1 d DU . .
H3 H 0.8475 0.7681 0.7643 0.144 Uiso 1 1 calc R . .
C4 C 0.8813(13) 0.6846(13) 0.7495(18) 0.123(5) Uani 1 1 d DU . .
C5 C 0.8794(13) 0.6248(13) 0.6843(16) 0.113(4) Uani 1 1 d DU . .
C6 C 0.8354(12) 0.6111(14) 0.5894(18) 0.113(4) Uani 1 1 d DU . .
H6 H 0.8325 0.5704 0.5434 0.136 Uiso 1 1 calc R . .
C7 C 0.7519(17) 0.6207(13) 0.4411(18) 0.119(5) Uani 1 1 d DU . .
H7A H 0.6947 0.6030 0.4484 0.143 Uiso 1 1 calc R . .
H7B H 0.7577 0.5768 0.4103 0.143 Uiso 1 1 calc R . .
C8 C 0.9248(17) 0.7004(13) 0.8594(19) 0.125(5) Uani 1 1 d DU . .
H8A H 0.9720 0.6941 0.8517 0.150 Uiso 1 1 calc R . .
H8B H 0.9426 0.7552 0.8843 0.150 Uiso 1 1 calc R . .
C9 C 0.7624(13) 0.7603(13) 0.5976(18) 0.147(8) Uani 1 1 d DU . .
H9A H 0.7569 0.7833 0.6662 0.176 Uiso 1 1 calc R . .
H9B H 0.7099 0.7272 0.5648 0.176 Uiso 1 1 calc R . .
H9C H 0.7961 0.8030 0.5468 0.176 Uiso 1 1 calc R . .
C10 C 0.9238(15) 0.5814(16) 0.726(2) 0.165(9) Uani 1 1 d DU . .
H10A H 0.8869 0.5240 0.7271 0.198 Uiso 1 1 calc R . .
H10B H 0.9443 0.5998 0.7997 0.198 Uiso 1 1 calc R . .
H10C H 0.9681 0.5931 0.6764 0.198 Uiso 1 1 calc R . .
C11 C 0.9009(19) 0.8280(19) 0.228(2) 0.095(4) Uani 1 1 d U . .
C12 C 0.8168(17) 0.7581(15) 0.1933(16) 0.089(4) Uani 1 1 d DU . .
C13 C 0.7688(15) 0.6934(14) 0.263(2) 0.100(4) Uani 1 1 d DU . .
C14 C 0.6996(16) 0.6293(15) 0.2164(15) 0.118(6) Uani 1 1 d DU . .
H14 H 0.6677 0.5837 0.2597 0.142 Uiso 1 1 calc R . .
C15 C 0.6771(16) 0.6319(14) 0.1070(15) 0.125(6) Uani 1 1 d DU . .
H15 H 0.6266 0.5922 0.0815 0.150 Uiso 1 1 calc R . .
C16 C 0.7287(14) 0.6930(12) 0.0354(19) 0.124(5) Uani 1 1 d DU . .
H16 H 0.7183 0.6907 -0.0408 0.149 Uiso 1 1 calc R . .
C17 C 0.7966(15) 0.7579(16) 0.0821(17) 0.113(5) Uani 1 1 d DU . .
H17 H 0.8296 0.8024 0.0377 0.136 Uiso 1 1 calc R . .
C18 C 0.771(2) 0.5125(19) 1.085(3) 0.111(5) Uani 1 1 d U . .
C19 C 0.8481(19) 0.5771(17) 1.111(2) 0.112(5) Uani 1 1 d DU . .
C20 C 0.8975(16) 0.6392(15) 1.038(2) 0.110(4) Uani 1 1 d DU . .
C21 C 0.9758(16) 0.6969(15) 1.0671(19) 0.123(5) Uani 1 1 d DU . .
H21 H 1.0087 0.7375 1.0170 0.148 Uiso 1 1 calc R . .
C22 C 1.0043(19) 0.6931(15) 1.1726(18) 0.148(6) Uani 1 1 d DU . .
H22 H 1.0556 0.7335 1.1945 0.178 Uiso 1 1 calc R . .
C23 C 0.9580(14) 0.6303(13) 1.246(2) 0.140(6) Uani 1 1 d DU . .
H23 H 0.9785 0.6267 1.3150 0.168 Uiso 1 1 calc R . .
C24 C 0.8801(15) 0.5730(16) 1.213(2) 0.133(5) Uani 1 1 d DU . .
H24 H 0.8484 0.5305 1.2612 0.159 Uiso 1 1 calc R . .
C25 C 1.0073(12) 0.8793(13) 0.3575(18) 0.153(5) Uani 1 1 d DU . .
H25A H 1.0074 0.9278 0.3818 0.184 Uiso 1 1 calc R . .
H25B H 1.0446 0.8940 0.2951 0.184 Uiso 1 1 calc R . .
C26 C 1.0359(9) 0.8507(9) 0.4467(16) 0.179(6) Uani 1 1 d DU . .
C27 C 1.0308(13) 0.8573(12) 0.5597(16) 0.188(6) Uani 1 1 d DU . .
H27 H 1.0069 0.8836 0.5951 0.226 Uiso 1 1 calc R . .
C28 C 1.0687(14) 0.8167(13) 0.6164(16) 0.192(6) Uani 1 1 d DU . .
H28 H 1.0723 0.8110 0.6930 0.230 Uiso 1 1 calc R . .
C29 C 1.1003(13) 0.7866(13) 0.527(2) 0.211(8) Uani 1 1 d DU . .
H29 H 1.1296 0.7600 0.5360 0.253 Uiso 1 1 calc R . .
C30 C 0.6435(12) 0.4562(13) 0.9748(19) 0.167(6) Uani 1 1 d DU . .
H30A H 0.6446 0.4134 0.9326 0.200 Uiso 1 1 calc R . .
H30B H 0.6133 0.4329 1.0431 0.200 Uiso 1 1 calc R . .
C31 C 0.6052(12) 0.4891(9) 0.9122(14) 0.185(7) Uani 1 1 d DU . .
C32 C 0.6445(12) 0.5361(12) 0.8154(16) 0.191(7) Uani 1 1 d DU . .
H32 H 0.6949 0.5477 0.7883 0.229 Uiso 1 1 calc R . .
C33 C 0.5917(15) 0.5628(13) 0.7663(17) 0.207(8) Uani 1 1 d DU . .
H33 H 0.6018 0.5943 0.7025 0.249 Uiso 1 1 calc R . .
C34 C 0.5207(13) 0.5308(13) 0.8362(19) 0.197(7) Uani 1 1 d DU . .
H34 H 0.4766 0.5384 0.8256 0.237 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'
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
O3 Pr1 O3 85.5(6) 2_765 3_675
O3 Pr1 O3 85.5(6) 2_765 .
O3 Pr1 O3 85.5(6) 3_675 .
O3 Pr1 O8 153.7(6) 2_765 3_675
O3 Pr1 O8 118.7(6) 3_675 3_675
O3 Pr1 O8 86.3(6) . 3_675
O3 Pr1 O8 118.7(6) 2_765 2_765
O3 Pr1 O8 86.3(6) 3_675 2_765
O3 Pr1 O8 153.7(6) . 2_765
O8 Pr1 O8 75.9(6) 3_675 2_765
O3 Pr1 O8 86.3(6) 2_765 .
O3 Pr1 O8 153.7(6) 3_675 .
O3 Pr1 O8 118.7(6) . .
O8 Pr1 O8 75.9(6) 3_675 .
O8 Pr1 O8 75.9(6) 2_765 .
O3 Pr1 O7 70.8(6) 2_765 2_765
O3 Pr1 O7 81.1(6) 3_675 2_765
O3 Pr1 O7 153.5(5) . 2_765
O8 Pr1 O7 120.2(6) 3_675 2_765
O8 Pr1 O7 47.9(6) 2_765 2_765
O8 Pr1 O7 72.6(6) . 2_765
O3 Pr1 O7 153.5(5) 2_765 3_675
O3 Pr1 O7 70.8(6) 3_675 3_675
O3 Pr1 O7 81.1(6) . 3_675
O8 Pr1 O7 47.9(6) 3_675 3_675
O8 Pr1 O7 72.6(6) 2_765 3_675
O8 Pr1 O7 120.2(6) . 3_675
O7 Pr1 O7 115.3(3) 2_765 3_675
O3 Pr1 O7 81.1(6) 2_765 .
O3 Pr1 O7 153.5(5) 3_675 .
O3 Pr1 O7 70.8(6) . .
O8 Pr1 O7 72.6(6) 3_675 .
O8 Pr1 O7 120.2(6) 2_765 .
O8 Pr1 O7 47.9(6) . .
O7 Pr1 O7 115.3(3) 2_765 .
O7 Pr1 O7 115.3(3) 3_675 .
O5 Pr2 O5 82.1(7) 3_665 2_655
O5 Pr2 O5 82.1(7) 3_665 .
O5 Pr2 O5 82.1(7) 2_655 .
O5 Pr2 O10 89.6(6) 3_665 .
O5 Pr2 O10 122.9(7) 2_655 .
O5 Pr2 O10 152.5(6) . .
O5 Pr2 O10 122.9(7) 3_665 2_655
O5 Pr2 O10 152.5(6) 2_655 2_655
O5 Pr2 O10 89.6(6) . 2_655
O10 Pr2 O10 72.9(6) . 2_655
O5 Pr2 O10 152.5(6) 3_665 3_665
O5 Pr2 O10 89.6(6) 2_655 3_665
O5 Pr2 O10 122.9(7) . 3_665
O10 Pr2 O10 72.9(6) . 3_665
O10 Pr2 O10 72.9(6) 2_655 3_665
O5 Pr2 O11 71.9(7) 3_665 2_655
O5 Pr2 O11 151.4(6) 2_655 2_655
O5 Pr2 O11 82.8(7) . 2_655
O10 Pr2 O11 69.7(6) . 2_655
O10 Pr2 O11 51.0(6) 2_655 2_655
O10 Pr2 O11 119.0(6) 3_665 2_655
O5 Pr2 O11 82.8(8) 3_665 .
O5 Pr2 O11 71.9(7) 2_655 .
O5 Pr2 O11 151.4(6) . .
O10 Pr2 O11 51.0(6) . .
O10 Pr2 O11 119.0(6) 2_655 .
O10 Pr2 O11 69.7(6) 3_665 .
O11 Pr2 O11 115.1(3) 2_655 .
O5 Pr2 O11 151.4(6) 3_665 3_665
O5 Pr2 O11 82.8(7) 2_655 3_665
O5 Pr2 O11 71.9(7) . 3_665
O10 Pr2 O11 119.0(6) . 3_665
O10 Pr2 O11 69.7(6) 2_655 3_665
O10 Pr2 O11 51.0(6) 3_665 3_665
O11 Pr2 O11 115.1(3) 2_655 3_665
O11 Pr2 O11 115.1(3) . 3_665
O5 Pr2 N4 96.9(8) 3_665 2_655
O5 Pr2 N4 169.2(7) 2_655 2_655
O5 Pr2 N4 87.1(7) . 2_655
O10 Pr2 N4 67.8(6) . 2_655
O10 Pr2 N4 26.0(6) 2_655 2_655
O10 Pr2 N4 95.9(7) 3_665 2_655
O11 Pr2 N4 25.1(6) 2_655 2_655
O11 Pr2 N4 118.7(7) . 2_655
O11 Pr2 N4 93.5(7) 3_665 2_655
O5 Pr2 N4 169.2(7) 3_665 3_665
O5 Pr2 N4 87.1(7) 2_655 3_665
O5 Pr2 N4 96.9(8) . 3_665
O10 Pr2 N4 95.9(7) . 3_665
O10 Pr2 N4 67.8(6) 2_655 3_665
O10 Pr2 N4 26.0(6) 3_665 3_665
O11 Pr2 N4 118.7(7) 2_655 3_665
O11 Pr2 N4 93.5(7) . 3_665
O11 Pr2 N4 25.1(6) 3_665 3_665
N4 Pr2 N4 93.8(8) 2_655 3_665
C11 N1 C25 123(2) . .
C11 N1 H1 118.3 . .
C25 N1 H1 118.3 . .
C18 N2 C30 126(2) . .
C18 N2 H2 117.0 . .
C30 N2 H2 117.0 . .
O9 N3 O8 131(3) . .
O9 N3 O7 116(3) . .
O8 N3 O7 113(3) . .
O11 N4 O12 128(3) . .
O11 N4 O10 118(3) . .
O12 N4 O10 113(3) . .
C13 O1 C7 117.5(18) . .
C20 O2 C8 119(2) . .
C11 O3 Pr1 176(2) . .
C26 O4 C29 106.6(10) . .
C18 O5 Pr2 166(2) . .
C31 O6 C34 107.0(10) . .
N3 O7 Pr1 97.7(17) . .
N3 O8 Pr1 101.3(17) . .
N4 O10 Pr2 94.9(17) . .
N4 O11 Pr2 95.9(17) . .
C6 C1 C2 114(2) . .
C6 C1 C7 116.9(17) . .
C2 C1 C7 129.1(19) . .
C3 C2 C1 121(3) . .
C3 C2 C9 114.5(17) . .
C1 C2 C9 124.1(19) . .
C2 C3 C4 120(3) . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C3 C4 C5 122(3) . .
C3 C4 C8 121.1(19) . .
C5 C4 C8 117(2) . .
C6 C5 C4 113(3) . .
C6 C5 C10 128.4(19) . .
C4 C5 C10 118(2) . .
C5 C6 C1 129(3) . .
C5 C6 H6 115.5 . .
C1 C6 H6 115.5 . .
C1 C7 O1 103.1(16) . .
C1 C7 H7A 111.1 . .
O1 C7 H7A 111.1 . .
C1 C7 H7B 111.1 . .
O1 C7 H7B 111.1 . .
H7A C7 H7B 109.1 . .
O2 C8 C4 108(2) . .
O2 C8 H8A 110.2 . .
C4 C8 H8A 110.2 . .
O2 C8 H8B 110.2 . .
C4 C8 H8B 110.2 . .
H8A C8 H8B 108.5 . .
C2 C9 H9A 109.5 . .
C2 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C2 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C5 C10 H10A 109.5 . .
C5 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C5 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
O3 C11 N1 126(3) . .
O3 C11 C12 116(3) . .
N1 C11 C12 118(3) . .
C17 C12 C13 121(2) . .
C17 C12 C11 115(2) . .
C13 C12 C11 123(2) . .
O1 C13 C12 116.1(19) . .
O1 C13 C14 127(2) . .
C12 C13 C14 117(2) . .
C15 C14 C13 121(2) . .
C15 C14 H14 119.4 . .
C13 C14 H14 119.4 . .
C16 C15 C14 121(2) . .
C16 C15 H15 119.6 . .
C14 C15 H15 119.6 . .
C15 C16 C17 117(2) . .
C15 C16 H16 121.4 . .
C17 C16 H16 121.4 . .
C12 C17 C16 122(2) . .
C12 C17 H17 119.2 . .
C16 C17 H17 119.2 . .
O5 C18 N2 111(3) . .
O5 C18 C19 126(3) . .
N2 C18 C19 123(3) . .
C24 C19 C20 118(3) . .
C24 C19 C18 117(2) . .
C20 C19 C18 125(2) . .
O2 C20 C21 119(2) . .
O2 C20 C19 120(2) . .
C21 C20 C19 122(3) . .
C20 C21 C22 119(2) . .
C20 C21 H21 120.7 . .
C22 C21 H21 120.7 . .
C23 C22 C21 122(2) . .
C23 C22 H22 119.2 . .
C21 C22 H22 119.2 . .
C22 C23 C24 118(2) . .
C22 C23 H23 121.1 . .
C24 C23 H23 121.1 . .
C19 C24 C23 122(2) . .
C19 C24 H24 118.9 . .
C23 C24 H24 118.9 . .
N1 C25 C26 113.9(14) . .
N1 C25 H25A 108.8 . .
C26 C25 H25A 108.8 . .
N1 C25 H25B 108.8 . .
C26 C25 H25B 108.8 . .
H25A C25 H25B 107.7 . .
C27 C26 C25 130.3(16) . .
C27 C26 O4 110.9(10) . .
C25 C26 O4 118.7(15) . .
C26 C27 C28 109.4(11) . .
C26 C27 H27 125.3 . .
C28 C27 H27 125.3 . .
C27 C28 C29 105.8(10) . .
C27 C28 H28 127.1 . .
C29 C28 H28 127.1 . .
O4 C29 C28 107.2(10) . .
O4 C29 H29 126.4 . .
C28 C29 H29 126.4 . .
C31 C30 N2 110.3(17) . .
C31 C30 H30A 109.6 . .
N2 C30 H30A 109.6 . .
C31 C30 H30B 109.6 . .
N2 C30 H30B 109.6 . .
H30A C30 H30B 108.1 . .
C30 C31 O6 130.5(15) . .
C30 C31 C32 119.3(15) . .
O6 C31 C32 110.2(10) . .
C31 C32 C33 107.9(10) . .
C31 C32 H32 126.1 . .
C33 C32 H32 126.1 . .
C34 C33 C32 106.5(10) . .
C34 C33 H33 126.7 . .
C32 C33 H33 126.7 . .
C33 C34 O6 108.4(10) . .
C33 C34 H34 125.8 . .
O6 C34 H34 125.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pr1 O3 2.378(19) 2_765
Pr1 O3 2.378(19) 3_675
Pr1 O3 2.378(19) .
Pr1 O8 2.563(10) 3_675
Pr1 O8 2.563(10) 2_765
Pr1 O8 2.563(10) .
Pr1 O7 2.580(15) 2_765
Pr1 O7 2.580(15) 3_675
Pr1 O7 2.580(15) .
Pr2 O5 2.413(15) 3_665
Pr2 O5 2.413(15) 2_655
Pr2 O5 2.413(15) .
Pr2 O10 2.488(18) .
Pr2 O10 2.488(18) 2_655
Pr2 O10 2.488(18) 3_665
Pr2 O11 2.49(2) 2_655
Pr2 O11 2.49(2) .
Pr2 O11 2.49(2) 3_665
Pr2 N4 2.89(3) 2_655
Pr2 N4 2.89(3) 3_665
N1 C11 1.26(3) .
N1 C25 1.402(16) .
N1 H1 0.8600 .
N2 C18 1.38(4) .
N2 C30 1.409(17) .
N2 H2 0.8600 .
N3 O9 1.20(3) .
N3 O8 1.21(3) .
N3 O7 1.30(3) .
N4 O11 1.23(3) .
N4 O12 1.27(3) .
N4 O10 1.27(3) .
O1 C13 1.34(3) .
O1 C7 1.56(3) .
O2 C20 1.33(3) .
O2 C8 1.42(3) .
O3 C11 1.25(3) .
O4 C26 1.440(16) .
O4 C29 1.461(16) .
O5 C18 1.29(3) .
O6 C31 1.401(15) .
O6 C34 1.470(15) .
C1 C6 1.361(9) .
C1 C2 1.367(9) .
C1 C7 1.514(16) .
C2 C3 1.363(9) .
C2 C9 1.526(17) .
C3 C4 1.366(9) .
C3 H3 0.9300 .
C4 C5 1.367(9) .
C4 C8 1.503(17) .
C5 C6 1.356(9) .
C5 C10 1.533(18) .
C6 H6 0.9300 .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 C12 1.54(4) .
C12 C17 1.383(12) .
C12 C13 1.386(12) .
C13 C14 1.387(12) .
C14 C15 1.386(12) .
C14 H14 0.9300 .
C15 C16 1.383(12) .
C15 H15 0.9300 .
C16 C17 1.384(12) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C19 1.40(4) .
C19 C24 1.386(13) .
C19 C20 1.387(13) .
C20 C21 1.384(13) .
C21 C22 1.390(13) .
C21 H21 0.9300 .
C22 C23 1.387(13) .
C22 H22 0.9300 .
C23 C24 1.389(13) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 C26 1.425(14) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C27 1.367(15) .
C27 C28 1.463(16) .
C27 H27 0.9300 .
C28 C29 1.481(16) .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 C31 1.394(14) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C32 1.427(15) .
C32 C33 1.460(16) .
C32 H32 0.9300 .
C33 C34 1.440(16) .
C33 H33 0.9300 .
C34 H34 0.9300 .
