#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:36:11 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179903 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/99/7019990.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_7019990
loop_
_publ_author_name
'Tan, Bin'
'Xie, Zai-Lai'
'Feng, Mei-Ling'
'Hu, Bing'
'Wu, Zhao-Feng'
'Huang, Xiao-Ying'
_publ_section_title
;
 Ionothermal syntheses, crystal structures and properties of
 three-dimensional rare earth metal-organic frameworks with
 1,4-naphthalenedicarboxylic acid.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10576
_journal_page_last               10584
_journal_paper_doi               10.1039/c2dt30944k
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C36 H18 Cl O12 Pr2, C10 H19 N2'
_chemical_formula_sum            'C46 H37 Cl N2 O12 Pr2'
_chemical_formula_weight         1127.05
_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                 95.7691(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.9610(2)
_cell_length_b                   14.81098(16)
_cell_length_c                   16.1045(2)
_cell_measurement_reflns_used    12439
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8296
_cell_measurement_theta_min      2.4908
_cell_volume                     4262.42(9)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66
;
_computing_molecular_graphics    'DIAMOND. Version 3.0. Crystal Impact'
_computing_publication_material  'Windows Word 2003'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.2083
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω 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  0.0246
_diffrn_reflns_av_sigmaI/netI    0.0342
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            19947
_diffrn_reflns_theta_full        26.55
_diffrn_reflns_theta_max         26.55
_diffrn_reflns_theta_min         2.66
_exptl_absorpt_coefficient_mu    2.389
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76018
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2232
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.871
_refine_diff_density_min         -1.366
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     607
_refine_ls_number_reflns         8858
_refine_ls_number_restraints     368
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0382
_refine_ls_R_factor_gt           0.0279
_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)+(0.0399P)²+0.1609P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0709
_refine_ls_wR_factor_ref         0.0733
_reflns_number_gt                7167
_reflns_number_total             8858
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30944k.txt
_cod_data_source_block           compound-3
_cod_original_cell_volume        4262.41(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7019990
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pr1 Pr 0.377902(9) 0.025015(12) -0.005443(10) 0.01385(6) Uani 1 1 d . . .
Pr2 Pr 0.115055(9) 0.012901(12) -0.001096(11) 0.01447(6) Uani 1 1 d . . .
Cl1 Cl 0.25169(4) -0.08769(6) 0.02308(6) 0.0310(2) Uani 1 1 d . . .
O1 O 0.44857(14) 0.13084(17) -0.07793(18) 0.0383(7) Uani 1 1 d . . .
O2 O 0.57177(14) 0.11176(17) -0.06045(18) 0.0390(7) Uani 1 1 d . . .
O3 O 0.31584(14) 0.13498(18) 0.07448(18) 0.0426(7) Uani 1 1 d . . .
O5 O 0.47458(15) 0.43213(19) -0.39967(18) 0.0468(8) Uani 1 1 d . . .
O4 O 0.19477(13) 0.13819(16) 0.02944(17) 0.0331(6) Uani 1 1 d . . .
O6 O 0.59832(16) 0.4324(2) -0.37776(17) 0.0436(8) Uani 1 1 d . . .
O7 O 0.28393(13) 0.43167(18) 0.38878(16) 0.0343(7) Uani 1 1 d . . .
O8 O 0.16061(13) 0.44961(17) 0.36610(14) 0.0281(6) Uani 1 1 d . . .
O9 O 0.06242(14) 0.09859(18) 0.10964(17) 0.0385(7) Uani 1 1 d . . .
O10 O -0.06251(14) 0.10510(18) 0.08921(17) 0.0378(7) Uani 1 1 d . . .
O11 O 0.00583(14) 0.41581(17) 0.43343(16) 0.0325(6) Uani 1 1 d . . .
O12 O -0.11191(14) 0.4096(2) 0.38053(18) 0.0456(8) Uani 1 1 d . . .
C1 C 0.5135(2) 0.1500(2) -0.0921(2) 0.0265(8) Uani 1 1 d . . .
C2 C 0.52137(19) 0.2227(2) -0.1567(2) 0.0245(8) Uani 1 1 d . . .
C3 C 0.4715(2) 0.2220(3) -0.2264(2) 0.0316(9) Uani 1 1 d . . .
H3A H 0.4338 0.1787 -0.2318 0.038 Uiso 1 1 calc R . .
C4 C 0.4763(2) 0.2857(3) -0.2901(2) 0.0310(9) Uani 1 1 d . . .
H4A H 0.4416 0.2839 -0.3370 0.037 Uiso 1 1 calc R . .
C5 C 0.53073(18) 0.3502(2) -0.2848(2) 0.0239(8) Uani 1 1 d . . .
C6 C 0.58239(18) 0.3560(2) -0.2115(2) 0.0212(8) Uani 1 1 d . . .
C7 C 0.57826(18) 0.2902(2) -0.1469(2) 0.0225(8) Uani 1 1 d . . .
C8 C 0.6303(2) 0.2962(3) -0.0746(2) 0.0318(9) Uani 1 1 d . . .
H8A H 0.6295 0.2531 -0.0327 0.038 Uiso 1 1 calc R . .
C9 C 0.6813(2) 0.3642(3) -0.0659(3) 0.0404(10) Uani 1 1 d . . .
H9A H 0.7149 0.3671 -0.0181 0.048 Uiso 1 1 calc R . .
C10 C 0.6838(2) 0.4300(3) -0.1281(3) 0.0398(10) Uani 1 1 d . . .
H10A H 0.7183 0.4769 -0.1208 0.048 Uiso 1 1 calc R . .
C11 C 0.6363(2) 0.4260(3) -0.1987(2) 0.0314(9) Uani 1 1 d . . .
H11A H 0.6391 0.4698 -0.2397 0.038 Uiso 1 1 calc R . .
C12 C 0.5345(2) 0.4099(2) -0.3586(2) 0.0295(9) Uani 1 1 d . . .
C13 C 0.2503(2) 0.1659(2) 0.0756(2) 0.0270(8) Uani 1 1 d . . .
C14 C 0.24016(19) 0.2374(2) 0.1399(2) 0.0238(8) Uani 1 1 d . . .
C15 C 0.2837(2) 0.2313(3) 0.2142(3) 0.0358(10) Uani 1 1 d . . .
H15A H 0.3194 0.1858 0.2215 0.043 Uiso 1 1 calc R . .
C16 C 0.2763(2) 0.2908(3) 0.2792(2) 0.0345(10) Uani 1 1 d . . .
H16A H 0.3076 0.2849 0.3285 0.041 Uiso 1 1 calc R . .
C17 C 0.22398(18) 0.3582(2) 0.2722(2) 0.0214(8) Uani 1 1 d . . .
C18 C 0.17722(17) 0.3687(2) 0.1956(2) 0.0189(7) Uani 1 1 d . . .
C19 C 0.18639(18) 0.3084(2) 0.1277(2) 0.0211(7) Uani 1 1 d . . .
C20 C 0.1432(2) 0.3237(3) 0.0509(2) 0.0309(9) Uani 1 1 d . . .
H20A H 0.1491 0.2860 0.0059 0.037 Uiso 1 1 calc R . .
C21 C 0.0927(2) 0.3930(3) 0.0415(2) 0.0385(10) Uani 1 1 d . . .
H21A H 0.0650 0.4021 -0.0098 0.046 Uiso 1 1 calc R . .
C22 C 0.0824(2) 0.4504(3) 0.1082(3) 0.0371(10) Uani 1 1 d . . .
H22A H 0.0474 0.4967 0.1015 0.044 Uiso 1 1 calc R . .
C23 C 0.12332(19) 0.4386(2) 0.1829(2) 0.0252(8) Uani 1 1 d . . .
H23A H 0.1158 0.4772 0.2268 0.030 Uiso 1 1 calc R . .
C24 C 0.22213(18) 0.4184(2) 0.3474(2) 0.0217(7) Uani 1 1 d . . .
C25 C 0.0006(2) 0.1322(2) 0.1214(2) 0.0299(9) Uani 1 1 d . . .
C26 C -0.00171(19) 0.2106(2) 0.1802(2) 0.0253(8) Uani 1 1 d . . .
C27 C 0.0370(2) 0.2039(3) 0.2582(3) 0.0356(10) Uani 1 1 d . . .
H27A H 0.0705 0.1567 0.2698 0.043 Uiso 1 1 calc R . .
C28 C 0.0265(2) 0.2677(3) 0.3202(2) 0.0353(10) Uani 1 1 d . . .
H28A H 0.0536 0.2626 0.3723 0.042 Uiso 1 1 calc R . .
C29 C -0.02306(19) 0.3371(3) 0.3051(2) 0.0274(9) Uani 1 1 d . . .
C30 C -0.0584(2) 0.3517(2) 0.2227(2) 0.0265(8) Uani 1 1 d . . .
C31 C -0.04777(19) 0.2872(2) 0.1598(2) 0.0260(8) Uani 1 1 d . . .
C32 C -0.0814(2) 0.3032(3) 0.0771(3) 0.0384(10) Uani 1 1 d . . .
H32A H -0.0756 0.2612 0.0352 0.046 Uiso 1 1 calc R . .
C33 C -0.1214(3) 0.3787(3) 0.0594(3) 0.0545(13) Uani 1 1 d . . .
H33A H -0.1428 0.3887 0.0052 0.065 Uiso 1 1 calc R . .
C34 C -0.1311(3) 0.4424(3) 0.1211(3) 0.0574(13) Uani 1 1 d . . .
H34A H -0.1587 0.4944 0.1071 0.069 Uiso 1 1 calc R . .
C35 C -0.1014(2) 0.4304(3) 0.2013(3) 0.0401(10) Uani 1 1 d . . .
H35A H -0.1090 0.4733 0.2418 0.048 Uiso 1 1 calc R . .
C36 C -0.0437(2) 0.3922(2) 0.3762(2) 0.0292(9) Uani 1 1 d . . .
N1A N 0.2369(6) -0.2681(7) 0.2801(5) 0.0569(15) Uani 0.591(5) 1 d PDU A 1
N2A N 0.3058(7) -0.1489(8) 0.2687(8) 0.0675(15) Uani 0.591(5) 1 d PDU A 1
C37A C 0.2885(6) -0.2648(7) 0.3476(6) 0.0564(17) Uani 0.591(5) 1 d PDU A 1
H37A H 0.2935 -0.3058 0.3915 0.068 Uiso 0.591(5) 1 calc PR A 1
C38A C 0.3331(7) -0.1879(8) 0.3389(7) 0.0704(18) Uani 0.591(5) 1 d PDU A 1
H38A H 0.3735 -0.1686 0.3752 0.085 Uiso 0.591(5) 1 calc PR A 1
C39A C 0.2539(9) -0.2048(9) 0.2276(9) 0.0535(16) Uani 0.591(5) 1 d PDU A 1
H39A H 0.2340 -0.1992 0.1723 0.064 Uiso 0.591(5) 1 calc PR A 1
C40A C 0.1820(6) -0.3371(7) 0.2607(7) 0.079(3) Uani 0.591(5) 1 d PDU A 1
H40A H 0.1371 -0.3106 0.2339 0.118 Uiso 0.591(5) 1 calc PR A 1
H40B H 0.1711 -0.3665 0.3113 0.118 Uiso 0.591(5) 1 calc PR A 1
H40C H 0.2011 -0.3806 0.2241 0.118 Uiso 0.591(5) 1 calc PR A 1
C41A C 0.3323(6) -0.0617(7) 0.2341(7) 0.088(2) Uani 0.591(5) 1 d PDU A 1
H41A H 0.2893 -0.0237 0.2177 0.106 Uiso 0.591(5) 1 calc PR A 1
H41B H 0.3569 -0.0744 0.1844 0.106 Uiso 0.591(5) 1 calc PR A 1
C43A C 0.3260(6) 0.0285(9) 0.3542(8) 0.122(2) Uani 0.591(5) 1 d PDU A 1
H43A H 0.2835 0.0565 0.3223 0.147 Uiso 0.591(5) 1 calc PR A 1
H43B H 0.3089 -0.0166 0.3916 0.147 Uiso 0.591(5) 1 calc PR A 1
C42A C 0.3862(6) -0.0106(8) 0.2962(7) 0.110(2) Uani 0.591(5) 1 d PDU A 1
H42A H 0.4123 0.0371 0.2697 0.131 Uiso 0.591(5) 1 calc PR A 1
H42B H 0.4221 -0.0504 0.3266 0.131 Uiso 0.591(5) 1 calc PR A 1
C44A C 0.3802(9) 0.0990(8) 0.4003(7) 0.146(3) Uani 0.591(5) 1 d PDU A 1
H44A H 0.4150 0.1184 0.3617 0.175 Uiso 0.591(5) 1 calc PR A 1
H44B H 0.3508 0.1514 0.4126 0.175 Uiso 0.591(5) 1 calc PR A 1
C45A C 0.4244(8) 0.0711(9) 0.4788(8) 0.160(3) Uani 0.591(5) 1 d PDU A 1
H45A H 0.4771 0.0709 0.4699 0.192 Uiso 0.591(5) 1 calc PR A 1
H45D H 0.4107 0.0098 0.4921 0.192 Uiso 0.591(5) 1 calc PR A 1
C46A C 0.4135(10) 0.1320(12) 0.5538(8) 0.183(5) Uani 0.591(5) 1 d PDU A 1
H46A H 0.4459 0.1122 0.6014 0.274 Uiso 0.591(5) 1 calc PR A 1
H46B H 0.3624 0.1286 0.5662 0.274 Uiso 0.591(5) 1 calc PR A 1
H46C H 0.4254 0.1932 0.5407 0.274 Uiso 0.591(5) 1 calc PR A 1
N2B N 0.3121(11) -0.1667(12) 0.2734(12) 0.0675(15) Uani 0.409(5) 1 d PDU A 2
N1B N 0.2257(10) -0.2710(10) 0.2539(8) 0.0569(15) Uani 0.409(5) 1 d PDU A 2
C40B C 0.1689(8) -0.3212(11) 0.2084(9) 0.079(3) Uani 0.409(5) 1 d PDU A 2
H40D H 0.1630 -0.3006 0.1516 0.118 Uiso 0.409(5) 1 calc PR A 2
H40E H 0.1227 -0.3133 0.2328 0.118 Uiso 0.409(5) 1 calc PR A 2
H40F H 0.1823 -0.3840 0.2097 0.118 Uiso 0.409(5) 1 calc PR A 2
C37B C 0.2615(9) -0.2801(10) 0.3313(9) 0.0564(17) Uani 0.409(5) 1 d PDU A 2
H37B H 0.2507 -0.3233 0.3703 0.068 Uiso 0.409(5) 1 calc PR A 2
C38B C 0.3172(10) -0.2144(11) 0.3436(10) 0.0704(18) Uani 0.409(5) 1 d PDU A 2
H38B H 0.3508 -0.2058 0.3908 0.085 Uiso 0.409(5) 1 calc PR A 2
C41B C 0.3594(8) -0.0881(8) 0.2491(12) 0.088(2) Uani 0.409(5) 1 d PDU A 2
H41C H 0.3596 -0.0883 0.1889 0.106 Uiso 0.409(5) 1 calc PR A 2
H41D H 0.4105 -0.0978 0.2732 0.106 Uiso 0.409(5) 1 calc PR A 2
C42B C 0.3340(11) 0.0054(10) 0.2760(10) 0.110(2) Uani 0.409(5) 1 d PDU A 2
H42C H 0.2802 0.0064 0.2775 0.131 Uiso 0.409(5) 1 calc PR A 2
H42D H 0.3474 0.0510 0.2369 0.131 Uiso 0.409(5) 1 calc PR A 2
C39B C 0.2484(13) -0.1935(14) 0.2257(13) 0.0535(16) Uani 0.409(5) 1 d PDU A 2
H39B H 0.2250 -0.1619 0.1805 0.064 Uiso 0.409(5) 1 calc PR A 2
C44B C 0.3329(9) 0.0879(13) 0.4215(11) 0.146(3) Uani 0.409(5) 1 d PDU A 2
H44C H 0.3120 0.1347 0.3841 0.175 Uiso 0.409(5) 1 calc PR A 2
H44D H 0.2908 0.0527 0.4366 0.175 Uiso 0.409(5) 1 calc PR A 2
C43B C 0.3753(10) 0.0253(13) 0.3673(11) 0.122(2) Uani 0.409(5) 1 d PDU A 2
H43C H 0.3839 -0.0317 0.3963 0.147 Uiso 0.409(5) 1 calc PR A 2
H43D H 0.4238 0.0518 0.3612 0.147 Uiso 0.409(5) 1 calc PR A 2
C45B C 0.3618(10) 0.1353(15) 0.4985(12) 0.160(3) Uani 0.409(5) 1 d PDU A 2
H45B H 0.3426 0.1054 0.5455 0.192 Uiso 0.409(5) 1 calc PR A 2
H45C H 0.3422 0.1963 0.4962 0.192 Uiso 0.409(5) 1 calc PR A 2
C46B C 0.4478(10) 0.1404(18) 0.5153(14) 0.183(5) Uani 0.409(5) 1 d PDU A 2
H46G H 0.4614 0.1894 0.5528 0.274 Uiso 0.409(5) 1 calc PR A 2
H46D H 0.4690 0.1502 0.4636 0.274 Uiso 0.409(5) 1 calc PR A 2
H46E H 0.4665 0.0848 0.5398 0.274 Uiso 0.409(5) 1 calc PR A 2
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'
Cl Cl 0.1484 0.1585 '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
O7 Pr1 O5 148.85(10) 4_565 4_566
O7 Pr1 O1 81.14(9) 4_565 .
O5 Pr1 O1 77.93(10) 4_566 .
O7 Pr1 O6 76.16(10) 4_565 2_644
O5 Pr1 O6 122.40(10) 4_566 2_644
O1 Pr1 O6 81.21(10) . 2_644
O7 Pr1 O3 82.34(9) 4_565 .
O5 Pr1 O3 77.45(9) 4_566 .
O1 Pr1 O3 96.55(10) . .
O6 Pr1 O3 158.48(10) 2_644 .
O7 Pr1 O2 138.74(10) 4_565 3_655
O5 Pr1 O2 72.39(10) 4_566 3_655
O1 Pr1 O2 124.69(8) . 3_655
O6 Pr1 O2 77.13(10) 2_644 3_655
O3 Pr1 O2 120.18(10) . 3_655
O7 Pr1 Cl1 75.91(6) 4_565 .
O5 Pr1 Cl1 124.41(8) 4_566 .
O1 Pr1 Cl1 156.79(7) . .
O6 Pr1 Cl1 89.92(7) 2_644 .
O3 Pr1 Cl1 83.88(7) . .
O2 Pr1 Cl1 73.20(6) 3_655 .
O4 Pr2 O11 101.47(9) . 4_565
O4 Pr2 O10 153.33(9) . 3
O11 Pr2 O10 78.59(10) 4_565 3
O4 Pr2 O8 75.72(8) . 4_565
O11 Pr2 O8 81.03(8) 4_565 4_565
O10 Pr2 O8 77.99(9) 3 4_565
O4 Pr2 O9 73.29(8) . .
O11 Pr2 O9 74.45(9) 4_565 .
O10 Pr2 O9 130.76(8) 3 .
O8 Pr2 O9 135.22(9) 4_565 .
O4 Pr2 O12 112.49(10) . 2_545
O11 Pr2 O12 122.60(8) 4_565 2_545
O10 Pr2 O12 88.57(10) 3 2_545
O8 Pr2 O12 150.16(9) 4_565 2_545
O9 Pr2 O12 73.07(10) . 2_545
O4 Pr2 Cl1 83.53(6) . .
O11 Pr2 Cl1 161.50(6) 4_565 .
O10 Pr2 Cl1 88.98(7) 3 .
O8 Pr2 Cl1 83.03(6) 4_565 .
O9 Pr2 Cl1 123.89(7) . .
O12 Pr2 Cl1 70.06(6) 2_545 .
O4 Pr2 O11 140.33(8) . 2_545
O11 Pr2 O11 76.82(8) 4_565 2_545
O10 Pr2 O11 66.09(8) 3 2_545
O8 Pr2 O11 140.68(8) 4_565 2_545
O9 Pr2 O11 68.07(8) . 2_545
O12 Pr2 O11 47.44(8) 2_545 2_545
Cl1 Pr2 O11 110.73(5) . 2_545
O4 Pr2 C36 127.25(10) . 2_545
O11 Pr2 C36 99.73(9) 4_565 2_545
O10 Pr2 C36 78.27(10) 3 2_545
O8 Pr2 C36 155.59(10) 4_565 2_545
O9 Pr2 C36 66.91(9) . 2_545
O12 Pr2 C36 23.33(9) 2_545 2_545
Cl1 Pr2 C36 90.95(7) . 2_545
O11 Pr2 C36 24.25(8) 2_545 2_545
Pr2 Cl1 Pr1 110.68(3) . .
C1 O1 Pr1 142.4(2) . .
C1 O2 Pr1 144.8(2) . 3_655
C13 O3 Pr1 137.0(2) . .
C12 O5 Pr1 166.3(3) . 4_565
C13 O4 Pr2 144.1(3) . .
C12 O6 Pr1 125.4(2) . 2_654
C24 O7 Pr1 163.2(2) . 4_566
C24 O8 Pr2 132.4(2) . 4_566
C25 O9 Pr2 136.9(3) . .
C25 O10 Pr2 139.6(2) . 3
C36 O11 Pr2 159.1(2) . 4_566
C36 O11 Pr2 85.0(2) . 2
Pr2 O11 Pr2 103.18(8) 4_566 2
C36 O12 Pr2 105.6(2) . 2
O1 C1 O2 125.6(3) . .
O1 C1 C2 116.3(3) . .
O2 C1 C2 118.0(3) . .
C3 C2 C7 120.0(3) . .
C3 C2 C1 117.4(3) . .
C7 C2 C1 122.6(3) . .
C2 C3 C4 120.9(3) . .
C2 C3 H3A 119.6 . .
C4 C3 H3A 119.6 . .
C5 C4 C3 121.5(3) . .
C5 C4 H4A 119.3 . .
C3 C4 H4A 119.3 . .
C4 C5 C6 119.7(3) . .
C4 C5 C12 117.1(3) . .
C6 C5 C12 123.2(3) . .
C11 C6 C5 122.7(3) . .
C11 C6 C7 118.4(3) . .
C5 C6 C7 118.8(3) . .
C8 C7 C2 122.6(3) . .
C8 C7 C6 118.3(3) . .
C2 C7 C6 119.0(3) . .
C9 C8 C7 120.8(4) . .
C9 C8 H8A 119.6 . .
C7 C8 H8A 119.6 . .
C8 C9 C10 120.7(4) . .
C8 C9 H9A 119.6 . .
C10 C9 H9A 119.6 . .
C11 C10 C9 120.5(4) . .
C11 C10 H10A 119.8 . .
C9 C10 H10A 119.8 . .
C10 C11 C6 121.2(4) . .
C10 C11 H11A 119.4 . .
C6 C11 H11A 119.4 . .
O5 C12 O6 123.8(4) . .
O5 C12 C5 118.3(3) . .
O6 C12 C5 117.8(3) . .
O4 C13 O3 124.1(3) . .
O4 C13 C14 119.6(3) . .
O3 C13 C14 116.2(3) . .
C15 C14 C19 119.2(3) . .
C15 C14 C13 117.3(3) . .
C19 C14 C13 123.5(3) . .
C14 C15 C16 122.0(3) . .
C14 C15 H15A 119.0 . .
C16 C15 H15A 119.0 . .
C17 C16 C15 121.3(4) . .
C17 C16 H16A 119.3 . .
C15 C16 H16A 119.3 . .
C16 C17 C18 119.3(3) . .
C16 C17 C24 115.9(3) . .
C18 C17 C24 124.8(3) . .
C23 C18 C17 122.5(3) . .
C23 C18 C19 118.3(3) . .
C17 C18 C19 119.2(3) . .
C20 C19 C14 122.9(3) . .
C20 C19 C18 118.2(3) . .
C14 C19 C18 118.8(3) . .
C21 C20 C19 121.2(4) . .
C21 C20 H20A 119.4 . .
C19 C20 H20A 119.4 . .
C20 C21 C22 120.5(4) . .
C20 C21 H21A 119.7 . .
C22 C21 H21A 119.7 . .
C23 C22 C21 120.2(4) . .
C23 C22 H22A 119.9 . .
C21 C22 H22A 119.9 . .
C22 C23 C18 121.5(3) . .
C22 C23 H23A 119.2 . .
C18 C23 H23A 119.2 . .
O7 C24 O8 124.5(3) . .
O7 C24 C17 115.5(3) . .
O8 C24 C17 119.9(3) . .
O9 C25 O10 125.9(3) . .
O9 C25 C26 119.0(3) . .
O10 C25 C26 115.1(3) . .
C27 C26 C31 119.7(3) . .
C27 C26 C25 118.5(4) . .
C31 C26 C25 121.5(3) . .
C26 C27 C28 120.7(4) . .
C26 C27 H27A 119.7 . .
C28 C27 H27A 119.7 . .
C29 C28 C27 120.9(4) . .
C29 C28 H28A 119.6 . .
C27 C28 H28A 119.6 . .
C28 C29 C30 120.0(3) . .
C28 C29 C36 119.1(4) . .
C30 C29 C36 120.7(3) . .
C31 C30 C35 119.2(4) . .
C31 C30 C29 118.8(3) . .
C35 C30 C29 122.0(4) . .
C30 C31 C26 119.3(3) . .
C30 C31 C32 118.7(4) . .
C26 C31 C32 122.0(3) . .
C33 C32 C31 120.2(4) . .
C33 C32 H32A 119.9 . .
C31 C32 H32A 119.9 . .
C32 C33 C34 121.0(4) . .
C32 C33 H33A 119.5 . .
C34 C33 H33A 119.5 . .
C35 C34 C33 121.5(5) . .
C35 C34 H34A 119.2 . .
C33 C34 H34A 119.2 . .
C34 C35 C30 119.4(4) . .
C34 C35 H35A 120.3 . .
C30 C35 H35A 120.3 . .
O12 C36 O11 121.3(3) . .
O12 C36 C29 118.4(3) . .
O11 C36 C29 120.2(3) . .
O12 C36 Pr2 51.08(18) . 2
O11 C36 Pr2 70.76(19) . 2
C29 C36 Pr2 168.7(3) . 2
C39A N1A C37A 107.7(9) . .
C39A N1A C40A 124.5(8) . .
C37A N1A C40A 126.8(8) . .
C38A N2A C39A 109.0(7) . .
C38A N2A C41A 126.2(9) . .
C39A N2A C41A 124.5(7) . .
N1A C37A C38A 107.4(9) . .
N1A C37A H37A 126.3 . .
C38A C37A H37A 126.3 . .
N2A C38A C37A 105.8(8) . .
N2A C38A H38A 127.1 . .
C37A C38A H38A 127.1 . .
N1A C39A N2A 108.1(8) . .
N1A C39A H39A 125.9 . .
N2A C39A H39A 125.9 . .
N2A C41A C42A 112.8(10) . .
N2A C41A H41A 109.0 . .
C42A C41A H41A 109.0 . .
N2A C41A H41B 109.0 . .
C42A C41A H41B 109.0 . .
H41A C41A H41B 107.8 . .
C44A C43A C42A 95.4(8) . .
C44A C43A H43A 112.7 . .
C42A C43A H43A 112.7 . .
C44A C43A H43B 112.7 . .
C42A C43A H43B 112.7 . .
H43A C43A H43B 110.2 . .
C41A C42A C43A 98.1(9) . .
C41A C42A H42A 112.1 . .
C43A C42A H42A 112.1 . .
C41A C42A H42B 112.1 . .
C43A C42A H42B 112.1 . .
H42A C42A H42B 109.8 . .
C45A C44A C43A 118.3(11) . .
C45A C44A H44A 107.7 . .
C43A C44A H44A 107.7 . .
C45A C44A H44B 107.7 . .
C43A C44A H44B 107.7 . .
H44A C44A H44B 107.1 . .
C44A C45A C46A 114.0(10) . .
C44A C45A H45A 108.8 . .
C46A C45A H45A 108.8 . .
C44A C45A H45D 108.8 . .
C46A C45A H45D 108.8 . .
H45A C45A H45D 107.6 . .
C45A C46A H46A 109.5 . .
C45A C46A H46B 109.5 . .
H46A C46A H46B 109.5 . .
C45A C46A H46C 109.5 . .
H46A C46A H46C 109.5 . .
H46B C46A H46C 109.5 . .
C38B N2B C39B 107.8(9) . .
C38B N2B C41B 129.5(12) . .
C39B N2B C41B 122.4(9) . .
C39B N1B C37B 105.7(13) . .
C39B N1B C40B 121.0(12) . .
C37B N1B C40B 132.9(10) . .
N1B C40B H40D 109.5 . .
N1B C40B H40E 109.5 . .
H40D C40B H40E 109.5 . .
N1B C40B H40F 109.5 . .
H40D C40B H40F 109.5 . .
H40E C40B H40F 109.5 . .
N1B C37B C38B 109.2(13) . .
N1B C37B H37B 125.4 . .
C38B C37B H37B 125.4 . .
N2B C38B C37B 105.3(11) . .
N2B C38B H38B 127.4 . .
C37B C38B H38B 127.4 . .
N2B C41B C42B 115.5(15) . .
N2B C41B H41C 108.4 . .
C42B C41B H41C 108.4 . .
N2B C41B H41D 108.4 . .
C42B C41B H41D 108.4 . .
H41C C41B H41D 107.5 . .
C41B C42B C43B 107.5(14) . .
C41B C42B H42C 110.2 . .
C43B C42B H42C 110.2 . .
C41B C42B H42D 110.2 . .
C43B C42B H42D 110.2 . .
H42C C42B H42D 108.5 . .
N1B C39B N2B 109.3(12) . .
N1B C39B H39B 125.4 . .
N2B C39B H39B 125.4 . .
C45B C44B C43B 128.1(12) . .
C45B C44B H44C 105.3 . .
C43B C44B H44C 105.3 . .
C45B C44B H44D 105.3 . .
C43B C44B H44D 105.3 . .
H44C C44B H44D 106.0 . .
C44B C43B C42B 115.1(12) . .
C44B C43B H43C 108.5 . .
C42B C43B H43C 108.5 . .
C44B C43B H43D 108.5 . .
C42B C43B H43D 108.5 . .
H43C C43B H43D 107.5 . .
C44B C45B C46B 115.6(11) . .
C44B C45B H45B 108.4 . .
C46B C45B H45B 108.4 . .
C44B C45B H45C 108.4 . .
C46B C45B H45C 108.4 . .
H45B C45B H45C 107.4 . .
C45B C46B H46G 109.5 . .
C45B C46B H46D 109.5 . .
H46G C46B H46D 109.5 . .
C45B C46B H46E 109.5 . .
H46G C46B H46E 109.5 . .
H46D C46B H46E 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pr1 O7 2.363(2) 4_565
Pr1 O5 2.393(3) 4_566
Pr1 O1 2.393(2) .
Pr1 O6 2.401(3) 2_644
Pr1 O3 2.417(2) .
Pr1 O2 2.419(2) 3_655
Pr1 Cl1 2.8889(8) .
Pr2 O4 2.365(2) .
Pr2 O11 2.379(2) 4_565
Pr2 O10 2.385(2) 3
Pr2 O8 2.430(2) 4_565
Pr2 O9 2.454(2) .
Pr2 O12 2.477(3) 2_545
Pr2 Cl1 2.8639(8) .
Pr2 O11 2.906(2) 2_545
Pr2 C36 3.066(3) 2_545
O1 C1 1.244(4) .
O2 C1 1.253(4) .
O2 Pr1 2.419(2) 3_655
O3 C13 1.264(4) .
O5 C12 1.249(4) .
O5 Pr1 2.393(3) 4_565
O4 C13 1.252(4) .
O6 C12 1.262(4) .
O6 Pr1 2.401(3) 2_654
O7 C24 1.251(4) .
O7 Pr1 2.363(2) 4_566
O8 C24 1.262(4) .
O8 Pr2 2.430(2) 4_566
O9 C25 1.249(4) .
O10 C25 1.263(4) .
O10 Pr2 2.385(2) 3
O11 C36 1.264(4) .
O11 Pr2 2.379(2) 4_566
O11 Pr2 2.906(2) 2
O12 C36 1.261(4) .
O12 Pr2 2.477(3) 2
C1 C2 1.514(5) .
C2 C3 1.364(5) .
C2 C7 1.427(5) .
C3 C4 1.403(5) .
C3 H3A 0.9300 .
C4 C5 1.364(5) .
C4 H4A 0.9300 .
C5 C6 1.429(5) .
C5 C12 1.488(5) .
C6 C11 1.419(5) .
C6 C7 1.432(5) .
C7 C8 1.421(5) .
C8 C9 1.358(5) .
C8 H8A 0.9300 .
C9 C10 1.402(5) .
C9 H9A 0.9300 .
C10 C11 1.352(5) .
C10 H10A 0.9300 .
C11 H11A 0.9300 .
C13 C14 1.505(5) .
C14 C15 1.366(5) .
C14 C19 1.428(5) .
C15 C16 1.384(5) .
C15 H15A 0.9300 .
C16 C17 1.367(5) .
C16 H16A 0.9300 .
C17 C18 1.430(5) .
C17 C24 1.507(5) .
C18 C23 1.418(4) .
C18 C19 1.434(4) .
C19 C20 1.411(5) .
C20 C21 1.368(5) .
C20 H20A 0.9300 .
C21 C22 1.397(5) .
C21 H21A 0.9300 .
C22 C23 1.356(5) .
C22 H22A 0.9300 .
C23 H23A 0.9300 .
C25 C26 1.501(5) .
C26 C27 1.376(5) .
C26 C31 1.423(5) .
C27 C28 1.400(5) .
C27 H27A 0.9300 .
C28 C29 1.365(5) .
C28 H28A 0.9300 .
C29 C30 1.429(5) .
C29 C36 1.483(5) .
C30 C31 1.419(5) .
C30 C35 1.422(5) .
C31 C32 1.426(5) .
C32 C33 1.345(6) .
C32 H32A 0.9300 .
C33 C34 1.394(7) .
C33 H33A 0.9300 .
C34 C35 1.358(6) .
C34 H34A 0.9300 .
C35 H35A 0.9300 .
C36 Pr2 3.066(3) 2
N1A C39A 1.317(7) .
N1A C37A 1.356(7) .
N1A C40A 1.433(8) .
N2A C38A 1.319(7) .
N2A C39A 1.367(9) .
N2A C41A 1.504(8) .
C37A C38A 1.407(9) .
C37A H37A 0.9300 .
C38A H38A 0.9300 .
C39A H39A 0.9300 .
C40A H40A 0.9600 .
C40A H40B 0.9600 .
C40A H40C 0.9600 .
C41A C42A 1.521(9) .
C41A H41A 0.9700 .
C41A H41B 0.9700 .
C43A C44A 1.564(9) .
C43A C42A 1.607(9) .
C43A H43A 0.9700 .
C43A H43B 0.9700 .
C42A H42A 0.9700 .
C42A H42B 0.9700 .
C44A C45A 1.483(9) .
C44A H44A 0.9700 .
C44A H44B 0.9700 .
C45A C46A 1.535(9) .
C45A H45A 0.9700 .
C45A H45D 0.9700 .
C46A H46A 0.9600 .
C46A H46B 0.9600 .
C46A H46C 0.9600 .
N2B C38B 1.328(8) .
N2B C39B 1.371(10) .
N2B C41B 1.514(9) .
N1B C39B 1.315(8) .
N1B C37B 1.351(8) .
N1B C40B 1.407(9) .
C40B H40D 0.9600 .
C40B H40E 0.9600 .
C40B H40F 0.9600 .
C37B C38B 1.397(11) .
C37B H37B 0.9300 .
C38B H38B 0.9300 .
C41B C42B 1.535(10) .
C41B H41C 0.9700 .
C41B H41D 0.9700 .
C42B C43B 1.606(10) .
C42B H42C 0.9700 .
C42B H42D 0.9700 .
C39B H39B 0.9300 .
C44B C45B 1.473(10) .
C44B C43B 1.528(10) .
C44B H44C 0.9700 .
C44B H44D 0.9700 .
C43B H43C 0.9700 .
C43B H43D 0.9700 .
C45B C46B 1.542(10) .
C45B H45B 0.9700 .
C45B H45C 0.9700 .
C46B H46G 0.9600 .
C46B H46D 0.9600 .
C46B H46E 0.9600 .
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
O4 Pr2 Cl1 Pr1 -24.06(7) . .
O11 Pr2 Cl1 Pr1 82.9(2) 4_565 .
O10 Pr2 Cl1 Pr1 130.30(7) 3 .
O8 Pr2 Cl1 Pr1 52.27(6) 4_565 .
O9 Pr2 Cl1 Pr1 -88.93(8) . .
O12 Pr2 Cl1 Pr1 -140.85(9) 2_545 .
O11 Pr2 Cl1 Pr1 -165.82(6) 2_545 .
C36 Pr2 Cl1 Pr1 -151.46(8) 2_545 .
O7 Pr1 Cl1 Pr2 -40.17(7) 4_565 .
O5 Pr1 Cl1 Pr2 113.67(9) 4_566 .
O1 Pr1 Cl1 Pr2 -48.91(18) . .
O6 Pr1 Cl1 Pr2 -115.90(8) 2_644 .
O3 Pr1 Cl1 Pr2 43.44(8) . .
O2 Pr1 Cl1 Pr2 167.53(8) 3_655 .
O7 Pr1 O1 C1 -154.1(5) 4_565 .
O5 Pr1 O1 C1 49.1(4) 4_566 .
O6 Pr1 O1 C1 -76.9(4) 2_644 .
O3 Pr1 O1 C1 124.7(4) . .
O2 Pr1 O1 C1 -9.3(5) 3_655 .
Cl1 Pr1 O1 C1 -145.5(4) . .
O7 Pr1 O3 C13 29.4(4) 4_565 .
O5 Pr1 O3 C13 -174.4(4) 4_566 .
O1 Pr1 O3 C13 109.5(4) . .
O6 Pr1 O3 C13 26.9(6) 2_644 .
O2 Pr1 O3 C13 -113.6(4) 3_655 .
Cl1 Pr1 O3 C13 -47.1(4) . .
O11 Pr2 O4 C13 157.1(4) 4_565 .
O10 Pr2 O4 C13 -115.5(4) 3 .
O8 Pr2 O4 C13 -125.4(4) 4_565 .
O9 Pr2 O4 C13 87.4(4) . .
O12 Pr2 O4 C13 24.3(4) 2_545 .
Cl1 Pr2 O4 C13 -40.9(4) . .
O11 Pr2 O4 C13 74.0(4) 2_545 .
C36 Pr2 O4 C13 45.3(4) 2_545 .
O4 Pr2 O9 C25 127.0(4) . .
O11 Pr2 O9 C25 19.6(4) 4_565 .
O10 Pr2 O9 C25 -39.7(4) 3 .
O8 Pr2 O9 C25 78.9(4) 4_565 .
O12 Pr2 O9 C25 -112.4(4) 2_545 .
Cl1 Pr2 O9 C25 -163.1(3) . .
O11 Pr2 O9 C25 -62.2(4) 2_545 .
C36 Pr2 O9 C25 -88.4(4) 2_545 .
Pr1 O1 C1 O2 -5.3(7) . .
Pr1 O1 C1 C2 171.4(3) . .
Pr1 O2 C1 O1 22.8(8) 3_655 .
Pr1 O2 C1 C2 -153.9(3) 3_655 .
O1 C1 C2 C3 -40.6(5) . .
O2 C1 C2 C3 136.4(4) . .
O1 C1 C2 C7 139.6(4) . .
O2 C1 C2 C7 -43.4(5) . .
C7 C2 C3 C4 1.5(6) . .
C1 C2 C3 C4 -178.3(3) . .
C2 C3 C4 C5 0.2(6) . .
C3 C4 C5 C6 -2.7(6) . .
C3 C4 C5 C12 175.3(4) . .
C4 C5 C6 C11 -174.6(3) . .
C12 C5 C6 C11 7.6(6) . .
C4 C5 C6 C7 3.5(5) . .
C12 C5 C6 C7 -174.4(3) . .
C3 C2 C7 C8 178.0(4) . .
C1 C2 C7 C8 -2.2(6) . .
C3 C2 C7 C6 -0.6(5) . .
C1 C2 C7 C6 179.2(3) . .
C11 C6 C7 C8 -2.4(5) . .
C5 C6 C7 C8 179.5(3) . .
C11 C6 C7 C2 176.3(3) . .
C5 C6 C7 C2 -1.9(5) . .
C2 C7 C8 C9 -176.7(4) . .
C6 C7 C8 C9 1.9(6) . .
C7 C8 C9 C10 -0.1(6) . .
C8 C9 C10 C11 -1.3(7) . .
C9 C10 C11 C6 0.7(6) . .
C5 C6 C11 C10 179.2(4) . .
C7 C6 C11 C10 1.1(6) . .
Pr1 O5 C12 O6 28.6(14) 4_565 .
Pr1 O5 C12 C5 -148.8(10) 4_565 .
Pr1 O6 C12 O5 1.3(6) 2_654 .
Pr1 O6 C12 C5 178.7(2) 2_654 .
C4 C5 C12 O5 35.5(5) . .
C6 C5 C12 O5 -146.6(4) . .
C4 C5 C12 O6 -142.0(4) . .
C6 C5 C12 O6 35.9(5) . .
Pr2 O4 C13 O3 66.2(6) . .
Pr2 O4 C13 C14 -110.9(4) . .
Pr1 O3 C13 O4 3.3(7) . .
Pr1 O3 C13 C14 -179.5(2) . .
O4 C13 C14 C15 143.9(4) . .
O3 C13 C14 C15 -33.4(5) . .
O4 C13 C14 C19 -34.1(5) . .
O3 C13 C14 C19 148.5(4) . .
C19 C14 C15 C16 1.4(6) . .
C13 C14 C15 C16 -176.7(3) . .
C14 C15 C16 C17 0.9(6) . .
C15 C16 C17 C18 -1.6(6) . .
C15 C16 C17 C24 -179.8(3) . .
C16 C17 C18 C23 -178.1(3) . .
C24 C17 C18 C23 0.0(5) . .
C16 C17 C18 C19 -0.1(5) . .
C24 C17 C18 C19 177.9(3) . .
C15 C14 C19 C20 175.1(4) . .
C13 C14 C19 C20 -6.9(5) . .
C15 C14 C19 C18 -3.0(5) . .
C13 C14 C19 C18 175.0(3) . .
C23 C18 C19 C20 2.2(5) . .
C17 C18 C19 C20 -175.8(3) . .
C23 C18 C19 C14 -179.6(3) . .
C17 C18 C19 C14 2.4(5) . .
C14 C19 C20 C21 -179.4(3) . .
C18 C19 C20 C21 -1.3(5) . .
C19 C20 C21 C22 -0.3(6) . .
C20 C21 C22 C23 1.0(6) . .
C21 C22 C23 C18 0.1(6) . .
C17 C18 C23 C22 176.3(4) . .
C19 C18 C23 C22 -1.7(5) . .
Pr1 O7 C24 O8 8.8(11) 4_566 .
Pr1 O7 C24 C17 -169.2(7) 4_566 .
Pr2 O8 C24 O7 -29.9(5) 4_566 .
Pr2 O8 C24 C17 148.0(2) 4_566 .
C16 C17 C24 O7 32.8(5) . .
C18 C17 C24 O7 -145.3(3) . .
C16 C17 C24 O8 -145.3(4) . .
C18 C17 C24 O8 36.6(5) . .
Pr2 O9 C25 O10 26.8(7) . .
Pr2 O9 C25 C26 -154.9(3) . .
Pr2 O10 C25 O9 3.3(7) 3 .
Pr2 O10 C25 C26 -175.0(3) 3 .
O9 C25 C26 C27 -49.6(5) . .
O10 C25 C26 C27 128.8(4) . .
O9 C25 C26 C31 135.8(4) . .
O10 C25 C26 C31 -45.7(5) . .
C31 C26 C27 C28 5.7(6) . .
C25 C26 C27 C28 -168.9(4) . .
C26 C27 C28 C29 0.9(6) . .
C27 C28 C29 C30 -7.4(6) . .
C27 C28 C29 C36 168.1(4) . .
C28 C29 C30 C31 7.2(5) . .
C36 C29 C30 C31 -168.2(3) . .
C28 C29 C30 C35 -170.3(4) . .
C36 C29 C30 C35 14.3(5) . .
C35 C30 C31 C26 176.9(3) . .
C29 C30 C31 C26 -0.6(5) . .
C35 C30 C31 C32 -0.7(5) . .
C29 C30 C31 C32 -178.3(3) . .
C27 C26 C31 C30 -5.7(5) . .
C25 C26 C31 C30 168.8(3) . .
C27 C26 C31 C32 171.8(4) . .
C25 C26 C31 C32 -13.7(5) . .
C30 C31 C32 C33 1.0(6) . .
C26 C31 C32 C33 -176.6(4) . .
C31 C32 C33 C34 -0.3(7) . .
C32 C33 C34 C35 -0.6(8) . .
C33 C34 C35 C30 0.8(7) . .
C31 C30 C35 C34 -0.2(6) . .
C29 C30 C35 C34 177.3(4) . .
Pr2 O12 C36 O11 9.4(5) 2 .
Pr2 O12 C36 C29 -175.1(3) 2 .
Pr2 O11 C36 O12 -122.1(6) 4_566 .
Pr2 O11 C36 O12 -7.7(4) 2 .
Pr2 O11 C36 C29 62.5(9) 4_566 .
Pr2 O11 C36 C29 176.9(3) 2 .
Pr2 O11 C36 Pr2 -114.4(7) 4_566 2
C28 C29 C36 O12 -133.9(4) . .
C30 C29 C36 O12 41.5(5) . .
C28 C29 C36 O11 41.6(5) . .
C30 C29 C36 O11 -142.9(4) . .
C28 C29 C36 Pr2 -153.5(11) . 2
C30 C29 C36 Pr2 21.9(15) . 2
C39A N1A C37A C38A 7.5(17) . .
C40A N1A C37A C38A 176.9(12) . .
C39A N2A C38A C37A -9(2) . .
C41A N2A C38A C37A 177.0(14) . .
N1A C37A C38A N2A 1.0(15) . .
C37A N1A C39A N2A -13(2) . .
C40A N1A C39A N2A 177.3(15) . .
C38A N2A C39A N1A 14(2) . .
C41A N2A C39A N1A -171.9(14) . .
C38A N2A C41A C42A -11(2) . .
C39A N2A C41A C42A 176.0(19) . .
N2A C41A C42A C43A -76.2(14) . .
C44A C43A C42A C41A -165.9(10) . .
C42A C43A C44A C45A -91.1(14) . .
C43A C44A C45A C46A -124.0(15) . .
C39B N1B C37B C38B -11(3) . .
C40B N1B C37B C38B 176(2) . .
C39B N2B C38B C37B 9(3) . .
C41B N2B C38B C37B -178(2) . .
N1B C37B C38B N2B 1(2) . .
C38B N2B C41B C42B -87(3) . .
C39B N2B C41B C42B 85(3) . .
N2B C41B C42B C43B 89.6(19) . .
C37B N1B C39B N2B 17(3) . .
C40B N1B C39B N2B -169(2) . .
C38B N2B C39B N1B -17(4) . .
C41B N2B C39B N1B 170(2) . .
C45B C44B C43B C42B -165(2) . .
C41B C42B C43B C44B -151.7(16) . .
C43B C44B C45B C46B 15(4) . .
