#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/78/1507899.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_1507899
loop_
_publ_author_name
'Wang, D'
'Niu, C J'
'Li, X Z'
'Zhu, L N'
'Hao, P P'
_publ_section_title
;
 Syntheses, crystal structures and properties of lanthanide complexes
 featuring infinite molecular rectangle strands constructed from a new
 macrocyclic metalloligand
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              20
_journal_page_last               27
_journal_paper_doi               10.1016/j.ica.2012.05.005
_journal_volume                  391
_journal_year                    2012
_chemical_formula_sum            'C64 H82 Cl3 N8 Ni2 O37 Pr'
_chemical_formula_weight         1920.02
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 98.98(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.569(2)
_cell_length_b                   13.459(3)
_cell_length_c                   24.824(5)
_cell_measurement_reflns_used    6725
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.102
_cell_measurement_theta_min      1.513
_cell_volume                     3817.9(14)
_computing_cell_refinement       crystalclear
_computing_data_collection       crystalclear
_computing_data_reduction        crystalclear
_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      113(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'rigaku saturn'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1451
_diffrn_reflns_av_sigmaI/netI    0.1546
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            25725
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    1.321
_exptl_absorpt_correction_T_max  0.9249
_exptl_absorpt_correction_T_min  0.8366
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            orange-red
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             1962
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.116
_refine_diff_density_min         -1.042
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     584
_refine_ls_number_reflns         6743
_refine_ls_number_restraints     103
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.1268
_refine_ls_R_factor_gt           0.0753
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0616P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1614
_refine_ls_wR_factor_ref         0.1880
_reflns_number_gt                4200
_reflns_number_total             6743
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            r90107ePr.cif
_cod_data_source_block           r90107e
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed
to 'constr' according to the built-in table from CIF Core 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        3817.8(13)
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               1507899
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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 1.0000 0.68921(5) -0.2500 0.0277(2) Uani 1 2 d S . .
Ni1 Ni 0.96631(8) 0.68617(7) -0.02041(4) 0.0234(3) Uani 1 1 d . . .
O1 O 1.0866(5) 0.7514(4) -0.1540(2) 0.0309(13) Uani 1 1 d . . .
O2 O 0.9290(5) 0.6073(4) -0.1715(2) 0.0340(14) Uani 1 1 d . . .
O3 O 0.7981(5) 0.4532(4) 0.0949(2) 0.0355(14) Uani 1 1 d . . .
O4 O 0.6283(5) 0.5042(4) 0.0443(2) 0.0375(15) Uani 1 1 d . . .
O5 O 0.6125(5) 0.5249(5) 0.1636(2) 0.0488(17) Uani 1 1 d . . .
O6 O 0.8615(5) 0.4531(5) 0.2180(2) 0.0472(17) Uani 1 1 d . . .
O7 O 1.0138(5) 1.0122(5) 0.0685(2) 0.0418(16) Uani 1 1 d . . .
O8 O 1.1230(5) 0.9099(4) 0.1271(2) 0.0334(14) Uani 1 1 d . . .
O9 O 1.1896(6) 1.0126(5) 0.2622(2) 0.060(2) Uani 1 1 d . . .
O10 O 1.3625(5) 1.1449(5) 0.3138(3) 0.0542(18) Uani 1 1 d . . .
H10 H 1.4271 1.1710 0.3158 0.081 Uiso 1 1 calc R . .
O11 O 1.0000 0.8716(7) -0.2500 0.057(3) Uani 1 2 d S . .
H11C H 1.0267 0.9031 -0.2210 0.069 Uiso 0.50 1 d PR . .
H11D H 0.9733 0.9031 -0.2790 0.069 Uiso 0.50 1 d PR . .
O12 O 0.7998(5) 0.7512(5) -0.2447(2) 0.0436(16) Uani 1 1 d . . .
H12C H 0.7862 0.7812 -0.2161 0.052 Uiso 1 1 d R . .
H12D H 0.7451 0.7422 -0.2714 0.052 Uiso 1 1 d R . .
N1 N 1.0752(5) 0.7417(5) -0.0606(2) 0.0223(14) Uani 1 1 d . . .
N2 N 0.9313(5) 0.5949(5) -0.0780(2) 0.0251(15) Uani 1 1 d . . .
N3 N 0.8606(5) 0.6300(5) 0.0220(2) 0.0244(15) Uani 1 1 d . . .
N4 N 0.9924(6) 0.7878(5) 0.0304(3) 0.0299(16) Uani 1 1 d . . .
C1 C 1.0496(7) 0.7177(6) -0.1132(3) 0.0263(18) Uani 1 1 d . . .
C2 C 0.9611(7) 0.6331(6) -0.1237(3) 0.0273(18) Uani 1 1 d . . .
C3 C 0.8635(7) 0.5084(6) -0.0795(3) 0.0250(18) Uani 1 1 d . . .
C4 C 0.8581(7) 0.4403(6) -0.1229(3) 0.031(2) Uani 1 1 d . . .
H4 H 0.8988 0.4536 -0.1515 0.038 Uiso 1 1 calc R . .
C5 C 0.7937(7) 0.3544(6) -0.1236(3) 0.0307(19) Uani 1 1 d . . .
H5 H 0.7927 0.3106 -0.1526 0.037 Uiso 1 1 calc R . .
C6 C 0.7309(7) 0.3312(6) -0.0827(3) 0.032(2) Uani 1 1 d . . .
H6 H 0.6849 0.2743 -0.0848 0.038 Uiso 1 1 calc R . .
C7 C 0.7376(7) 0.3944(6) -0.0384(3) 0.0282(19) Uani 1 1 d . . .
H7 H 0.6988 0.3772 -0.0096 0.034 Uiso 1 1 calc R . .
C8 C 0.8018(7) 0.4847(6) -0.0353(3) 0.0259(18) Uani 1 1 d . . .
C9 C 0.8052(6) 0.5470(6) 0.0132(3) 0.0231(18) Uani 1 1 d . . .
C10 C 0.7435(7) 0.4980(6) 0.0565(3) 0.0291(19) Uani 1 1 d . . .
C11 C 0.5569(7) 0.4422(7) 0.0765(4) 0.044(2) Uani 1 1 d . . .
H11A H 0.6029 0.3856 0.0916 0.053 Uiso 1 1 calc R . .
H11B H 0.4888 0.4173 0.0526 0.053 Uiso 1 1 calc R . .
C12 C 0.5181(7) 0.5002(7) 0.1218(4) 0.046(3) Uani 1 1 d . . .
H12A H 0.4804 0.5609 0.1071 0.055 Uiso 1 1 calc R . .
H12B H 0.4609 0.4616 0.1375 0.055 Uiso 1 1 calc R . .
C13 C 0.6437(9) 0.4484(8) 0.2009(4) 0.060(3) Uani 1 1 d . . .
H13A H 0.6581 0.3881 0.1817 0.072 Uiso 1 1 calc R . .
H13B H 0.5802 0.4358 0.2213 0.072 Uiso 1 1 calc R . .
C14 C 0.7534(8) 0.4771(7) 0.2400(3) 0.051(3) Uani 1 1 d . . .
H14A H 0.7516 0.5479 0.2473 0.061 Uiso 1 1 calc R . .
H14B H 0.7541 0.4423 0.2743 0.061 Uiso 1 1 calc R . .
C15 C 0.8587(7) 0.6901(6) 0.0743(3) 0.0300(19) Uani 1 1 d . . .
H15 H 0.9211 0.6645 0.1021 0.036 Uiso 1 1 calc R . .
C16 C 0.7458(7) 0.6927(6) 0.0995(3) 0.036(2) Uani 1 1 d . . .
H16A H 0.7237 0.6253 0.1074 0.043 Uiso 1 1 calc R . .
H16B H 0.7599 0.7289 0.1337 0.043 Uiso 1 1 calc R . .
C17 C 0.6458(8) 0.7416(7) 0.0617(4) 0.044(2) Uani 1 1 d . . .
H17A H 0.5766 0.7427 0.0793 0.053 Uiso 1 1 calc R . .
H17B H 0.6279 0.7028 0.0285 0.053 Uiso 1 1 calc R . .
C18 C 0.6774(7) 0.8481(7) 0.0474(4) 0.040(2) Uani 1 1 d . . .
H18A H 0.6861 0.8893 0.0798 0.048 Uiso 1 1 calc R . .
H18B H 0.6155 0.8758 0.0208 0.048 Uiso 1 1 calc R . .
C19 C 0.7929(7) 0.8465(6) 0.0239(3) 0.034(2) Uani 1 1 d . . .
H19A H 0.7798 0.8133 -0.0112 0.041 Uiso 1 1 calc R . .
H19B H 0.8164 0.9143 0.0180 0.041 Uiso 1 1 calc R . .
C20 C 0.8916(7) 0.7943(6) 0.0606(3) 0.030(2) Uani 1 1 d . . .
H20 H 0.9137 0.8327 0.0942 0.036 Uiso 1 1 calc R . .
C21 C 1.0735(7) 0.8537(6) 0.0380(3) 0.0276(18) Uani 1 1 d . . .
C22 C 1.0658(7) 0.9352(7) 0.0792(3) 0.032(2) Uani 1 1 d . . .
C23 C 1.1137(8) 0.9798(7) 0.1717(3) 0.041(2) Uani 1 1 d . . .
H23A H 1.0381 0.9737 0.1837 0.050 Uiso 1 1 calc R . .
H23B H 1.1234 1.0477 0.1601 0.050 Uiso 1 1 calc R . .
C24 C 1.2103(8) 0.9516(7) 0.2166(4) 0.047(3) Uani 1 1 d . . .
H24A H 1.2064 0.8816 0.2254 0.057 Uiso 1 1 calc R . .
H24B H 1.2862 0.9658 0.2065 0.057 Uiso 1 1 calc R . .
C25 C 1.2654(11) 0.9899(9) 0.3121(4) 0.078(4) Uani 1 1 d . . .
H25A H 1.2285 1.0108 0.3427 0.094 Uiso 1 1 calc R . .
H25B H 1.2771 0.9185 0.3148 0.094 Uiso 1 1 calc R . .
C26 C 1.3758(10) 1.0377(9) 0.3150(5) 0.076(4) Uani 1 1 d . . .
H26A H 1.4131 1.0166 0.2846 0.091 Uiso 1 1 calc R . .
H26B H 1.4258 1.0183 0.3485 0.091 Uiso 1 1 calc R . .
C27 C 1.1707(7) 0.8572(6) 0.0077(3) 0.0282(19) Uani 1 1 d . . .
C28 C 1.2709(7) 0.9115(6) 0.0285(3) 0.034(2) Uani 1 1 d . . .
H28 H 1.2707 0.9484 0.0602 0.041 Uiso 1 1 calc R . .
C29 C 1.3680(7) 0.9127(7) 0.0045(3) 0.035(2) Uani 1 1 d . . .
H29 H 1.4344 0.9474 0.0201 0.042 Uiso 1 1 calc R . .
C30 C 1.3662(7) 0.8613(6) -0.0433(3) 0.035(2) Uani 1 1 d . . .
H30 H 1.4319 0.8625 -0.0607 0.042 Uiso 1 1 calc R . .
C31 C 1.2672(7) 0.8069(6) -0.0666(3) 0.031(2) Uani 1 1 d . . .
H31 H 1.2675 0.7737 -0.0995 0.037 Uiso 1 1 calc R . .
C32 C 1.1711(7) 0.8025(6) -0.0414(3) 0.0267(18) Uani 1 1 d . . .
Cl1 Cl 0.6545(2) 0.2102(2) 0.37416(9) 0.0480(7) Uani 1 1 d . . .
O13 O 0.5840(6) 0.2353(7) 0.3226(3) 0.086(3) Uani 1 1 d . . .
O14 O 0.7753(5) 0.2100(5) 0.3672(3) 0.0566(19) Uani 1 1 d . . .
O15 O 0.6363(7) 0.2823(6) 0.4143(3) 0.089(3) Uani 1 1 d . . .
O16 O 0.6223(6) 0.1137(6) 0.3913(3) 0.073(2) Uani 1 1 d . . .
Cl2 Cl 0.0162(7) 0.7204(3) 0.2552(3) 0.0592(15) Uani 0.50 1 d PDU . .
O17 O -0.069(2) 0.7123(18) 0.2079(7) 0.084(4) Uani 0.25 1 d PDU . 1
O18 O 0.0031(19) 0.6400(14) 0.2929(9) 0.058(5) Uani 0.25 1 d PDU . 1
O19 O 0.011(2) 0.8127(11) 0.2830(10) 0.068(5) Uani 0.25 1 d PDU . 1
O20 O 0.1337(14) 0.7097(18) 0.2409(11) 0.084(4) Uani 0.25 1 d PDU . 1
O17' O -0.1196(13) 0.7218(18) 0.2476(12) 0.084(4) Uani 0.25 1 d PDU . 2
O18' O 0.048(2) 0.6369(14) 0.2899(9) 0.058(5) Uani 0.25 1 d PDU . 2
O19' O 0.052(2) 0.8106(12) 0.2820(11) 0.068(5) Uani 0.25 1 d PDU . 2
O20' O 0.045(3) 0.7106(19) 0.2029(6) 0.084(4) Uani 0.25 1 d PDU . 2
O21 O 0.5000 0.711(2) 0.2500 0.304(18) Uani 1 2 d S A 3
O21' O 0.572(2) 0.7380(14) 0.2108(8) 0.118(8) Uani 0.50 1 d P B 4
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'
Ni Ni 0.3393 1.1124 '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
O11 Pr1 O12 70.37(14) . .
O11 Pr1 O12 70.37(14) . 2_754
O12 Pr1 O12 140.7(3) . 2_754
O11 Pr1 O2 116.30(12) . 2_754
O12 Pr1 O2 127.96(18) . 2_754
O12 Pr1 O2 71.49(18) 2_754 2_754
O11 Pr1 O2 116.30(12) . .
O12 Pr1 O2 71.49(18) . .
O12 Pr1 O2 127.96(18) 2_754 .
O2 Pr1 O2 127.4(2) 2_754 .
O11 Pr1 O6 138.86(15) . 4_565
O12 Pr1 O6 73.9(2) . 4_565
O12 Pr1 O6 141.6(2) 2_754 4_565
O2 Pr1 O6 71.98(19) 2_754 4_565
O2 Pr1 O6 69.02(18) . 4_565
O11 Pr1 O6 138.86(15) . 3_765
O12 Pr1 O6 141.6(2) . 3_765
O12 Pr1 O6 73.9(2) 2_754 3_765
O2 Pr1 O6 69.02(18) 2_754 3_765
O2 Pr1 O6 71.98(19) . 3_765
O6 Pr1 O6 82.3(3) 4_565 3_765
O11 Pr1 O1 71.05(12) . .
O12 Pr1 O1 94.17(18) . .
O12 Pr1 O1 73.09(17) 2_754 .
O2 Pr1 O1 137.77(17) 2_754 .
O2 Pr1 O1 63.08(17) . .
O6 Pr1 O1 131.94(18) 4_565 .
O6 Pr1 O1 79.68(19) 3_765 .
O11 Pr1 O1 71.05(12) . 2_754
O12 Pr1 O1 73.09(17) . 2_754
O12 Pr1 O1 94.16(18) 2_754 2_754
O2 Pr1 O1 63.08(17) 2_754 2_754
O2 Pr1 O1 137.77(17) . 2_754
O6 Pr1 O1 79.68(19) 4_565 2_754
O6 Pr1 O1 131.94(18) 3_765 2_754
O1 Pr1 O1 142.1(2) . 2_754
N4 Ni1 N1 90.9(3) . .
N4 Ni1 N2 173.0(3) . .
N1 Ni1 N2 86.5(3) . .
N4 Ni1 N3 88.1(3) . .
N1 Ni1 N3 178.1(3) . .
N2 Ni1 N3 94.6(3) . .
C1 O1 Pr1 120.1(5) . .
C2 O2 Pr1 122.8(5) . .
C10 O4 C11 117.7(6) . .
C13 O5 C12 113.7(8) . .
C14 O6 Pr1 125.3(5) . 3_765
C22 O8 C23 115.6(7) . .
C25 O9 C24 113.6(8) . .
C26 O10 H10 109.5 . .
Pr1 O11 H11C 119.9 . .
Pr1 O11 H11D 119.9 . .
H11C O11 H11D 120.2 . .
Pr1 O12 H12C 119.9 . .
Pr1 O12 H12D 119.8 . .
H12C O12 H12D 120.2 . .
C1 N1 C32 121.1(7) . .
C1 N1 Ni1 111.0(5) . .
C32 N1 Ni1 127.8(5) . .
C2 N2 C3 120.8(7) . .
C2 N2 Ni1 109.9(5) . .
C3 N2 Ni1 128.1(5) . .
C9 N3 C15 121.9(6) . .
C9 N3 Ni1 126.8(5) . .
C15 N3 Ni1 110.9(5) . .
C21 N4 C20 119.9(7) . .
C21 N4 Ni1 130.4(6) . .
C20 N4 Ni1 109.3(5) . .
O1 C1 N1 131.1(8) . .
O1 C1 C2 116.0(7) . .
N1 C1 C2 112.9(7) . .
O2 C2 N2 128.9(8) . .
O2 C2 C1 117.8(7) . .
N2 C2 C1 113.3(7) . .
N2 C3 C4 121.4(7) . .
N2 C3 C8 120.4(7) . .
C4 C3 C8 118.2(7) . .
C5 C4 C3 121.1(8) . .
C5 C4 H4 119.4 . .
C3 C4 H4 119.4 . .
C6 C5 C4 122.0(8) . .
C6 C5 H5 119.0 . .
C4 C5 H5 119.0 . .
C5 C6 C7 118.6(8) . .
C5 C6 H6 120.7 . .
C7 C6 H6 120.7 . .
C6 C7 C8 122.2(8) . .
C6 C7 H7 118.9 . .
C8 C7 H7 118.9 . .
C7 C8 C3 117.8(7) . .
C7 C8 C9 118.7(7) . .
C3 C8 C9 123.4(7) . .
N3 C9 C8 125.8(7) . .
N3 C9 C10 121.8(7) . .
C8 C9 C10 112.1(7) . .
O3 C10 O4 126.2(7) . .
O3 C10 C9 121.5(7) . .
O4 C10 C9 112.1(7) . .
O4 C11 C12 111.6(8) . .
O4 C11 H11A 109.3 . .
C12 C11 H11A 109.3 . .
O4 C11 H11B 109.3 . .
C12 C11 H11B 109.3 . .
H11A C11 H11B 108.0 . .
O5 C12 C11 112.6(7) . .
O5 C12 H12A 109.1 . .
C11 C12 H12A 109.1 . .
O5 C12 H12B 109.1 . .
C11 C12 H12B 109.1 . .
H12A C12 H12B 107.8 . .
O5 C13 C14 109.9(8) . .
O5 C13 H13A 109.7 . .
C14 C13 H13A 109.7 . .
O5 C13 H13B 109.7 . .
C14 C13 H13B 109.7 . .
H13A C13 H13B 108.2 . .
O6 C14 C13 112.2(8) . .
O6 C14 H14A 109.2 . .
C13 C14 H14A 109.2 . .
O6 C14 H14B 109.2 . .
C13 C14 H14B 109.2 . .
H14A C14 H14B 107.9 . .
C20 C15 N3 105.2(6) . .
C20 C15 C16 109.5(7) . .
N3 C15 C16 118.9(7) . .
C20 C15 H15 107.6 . .
N3 C15 H15 107.6 . .
C16 C15 H15 107.6 . .
C17 C16 C15 111.9(7) . .
C17 C16 H16A 109.2 . .
C15 C16 H16A 109.2 . .
C17 C16 H16B 109.2 . .
C15 C16 H16B 109.2 . .
H16A C16 H16B 107.9 . .
C16 C17 C18 111.2(7) . .
C16 C17 H17A 109.4 . .
C18 C17 H17A 109.4 . .
C16 C17 H17B 109.4 . .
C18 C17 H17B 109.4 . .
H17A C17 H17B 108.0 . .
C17 C18 C19 109.1(7) . .
C17 C18 H18A 109.9 . .
C19 C18 H18A 109.9 . .
C17 C18 H18B 109.9 . .
C19 C18 H18B 109.9 . .
H18A C18 H18B 108.3 . .
C20 C19 C18 113.2(7) . .
C20 C19 H19A 108.9 . .
C18 C19 H19A 108.9 . .
C20 C19 H19B 108.9 . .
C18 C19 H19B 108.9 . .
H19A C19 H19B 107.7 . .
N4 C20 C15 107.8(6) . .
N4 C20 C19 107.5(6) . .
C15 C20 C19 111.9(7) . .
N4 C20 H20 109.8 . .
C15 C20 H20 109.8 . .
C19 C20 H20 109.8 . .
N4 C21 C27 123.8(8) . .
N4 C21 C22 118.9(7) . .
C27 C21 C22 117.3(7) . .
O7 C22 O8 125.9(8) . .
O7 C22 C21 123.6(7) . .
O8 C22 C21 110.5(7) . .
O8 C23 C24 105.4(7) . .
O8 C23 H23A 110.7 . .
C24 C23 H23A 110.7 . .
O8 C23 H23B 110.7 . .
C24 C23 H23B 110.7 . .
H23A C23 H23B 108.8 . .
O9 C24 C23 104.1(7) . .
O9 C24 H24A 110.9 . .
C23 C24 H24A 110.9 . .
O9 C24 H24B 110.9 . .
C23 C24 H24B 110.9 . .
H24A C24 H24B 109.0 . .
C26 C25 O9 111.7(10) . .
C26 C25 H25A 109.3 . .
O9 C25 H25A 109.3 . .
C26 C25 H25B 109.3 . .
O9 C25 H25B 109.3 . .
H25A C25 H25B 107.9 . .
C25 C26 O10 111.0(10) . .
C25 C26 H26A 109.4 . .
O10 C26 H26A 109.4 . .
C25 C26 H26B 109.4 . .
O10 C26 H26B 109.4 . .
H26A C26 H26B 108.0 . .
C28 C27 C32 118.1(7) . .
C28 C27 C21 119.5(7) . .
C32 C27 C21 122.3(7) . .
C29 C28 C27 122.8(8) . .
C29 C28 H28 118.6 . .
C27 C28 H28 118.6 . .
C28 C29 C30 118.4(8) . .
C28 C29 H29 120.8 . .
C30 C29 H29 120.8 . .
C29 C30 C31 121.3(8) . .
C29 C30 H30 119.3 . .
C31 C30 H30 119.3 . .
C32 C31 C30 120.4(8) . .
C32 C31 H31 119.8 . .
C30 C31 H31 119.8 . .
C31 C32 N1 122.0(7) . .
C31 C32 C27 118.9(7) . .
N1 C32 C27 118.9(7) . .
O15 Cl1 O16 109.5(5) . .
O15 Cl1 O14 109.8(5) . .
O16 Cl1 O14 109.7(5) . .
O15 Cl1 O13 109.6(5) . .
O16 Cl1 O13 109.7(5) . .
O14 Cl1 O13 108.6(4) . .
Cl2 Cl2 O17 154(4) 2 2
Cl2 Cl2 O17' 139(3) 2 2
O17 Cl2 O17' 66(2) 2 2
Cl2 Cl2 O20' 87(3) 2 2
O17 Cl2 O20' 66.9(18) 2 2
O17' Cl2 O20' 133.3(14) 2 2
Cl2 Cl2 O20' 75(3) 2 .
O17 Cl2 O20' 129(2) 2 .
O17' Cl2 O20' 64.4(12) 2 .
O20' Cl2 O20' 159.3(12) 2 .
Cl2 Cl2 O17 19(3) 2 .
O17 Cl2 O17 167(2) 2 .
O17' Cl2 O17 121.2(18) 2 .
O20' Cl2 O17 104.7(13) 2 .
O20' Cl2 O17 56.9(14) . .
Cl2 Cl2 O19' 117.3(14) 2 .
O17 Cl2 O19' 65.1(13) 2 .
O17' Cl2 O19' 78.0(17) 2 .
O20' Cl2 O19' 82.7(18) 2 .
O20' Cl2 O19' 115.1(9) . .
O17 Cl2 O19' 124.9(19) . .
Cl2 Cl2 O19 101.4(15) 2 .
O17 Cl2 O19 74(2) 2 .
O17' Cl2 O19 97.4(16) 2 .
O20' Cl2 O19 69.3(11) 2 .
O20' Cl2 O19 124.5(19) . .
O17 Cl2 O19 113.2(8) . .
O19' Cl2 O19 19.5(15) . .
Cl2 Cl2 O18' 119.6(16) 2 .
O17 Cl2 O18' 46.8(13) 2 .
O17' Cl2 O18' 83.1(16) 2 .
O20' Cl2 O18' 65.1(16) 2 .
O20' Cl2 O18' 114.1(9) . .
O17 Cl2 O18' 121.5(18) . .
O19' Cl2 O18' 111.2(9) . .
O19 Cl2 O18' 114.8(19) . .
Cl2 Cl2 O18 102.9(19) 2 .
O17 Cl2 O18 56.7(19) 2 .
O17' Cl2 O18 104.6(17) 2 .
O20' Cl2 O18 46.6(11) 2 .
O20' Cl2 O18 126.3(18) . .
O17 Cl2 O18 110.5(8) . .
O19' Cl2 O18 113(2) . .
O19 Cl2 O18 108.7(8) . .
O18' Cl2 O18 21.7(14) . .
Cl2 Cl2 O20 128(3) 2 .
O17 Cl2 O20 76.2(14) 2 .
O17' Cl2 O20 12.5(18) 2 .
O20' Cl2 O20 142.4(14) 2 .
O20' Cl2 O20 53.2(15) . .
O17 Cl2 O20 110.0(8) . .
O19' Cl2 O20 88.9(15) . .
O19 Cl2 O20 108.2(8) . .
O18' Cl2 O20 84.5(14) . .
O18 Cl2 O20 106.0(8) . .
Cl2 Cl2 O17' 31(3) 2 .
O17 Cl2 O17' 124(2) 2 .
O17' Cl2 O17' 169.7(8) 2 .
O20' Cl2 O17' 57.0(9) 2 .
O20' Cl2 O17' 105.7(9) . .
O17 Cl2 O17' 48.8(14) . .
O19' Cl2 O17' 105.4(9) . .
O19 Cl2 O17' 86.1(13) . .
O18' Cl2 O17' 104.3(9) . .
O18 Cl2 O17' 83.2(13) . .
O20 Cl2 O17' 158.7(15) . .
Cl2 O17 O18 79.4(17) 2 2
Cl2 O17 Cl2 7.5(11) 2 .
O18 O17 Cl2 74.0(13) 2 .
Cl2 O17 O19 65.4(17) 2 2
O18 O17 O19 116.7(18) 2 2
Cl2 O17 O19 64.7(13) . 2
Cl2 O17 O20 64.6(12) 2 2
O18 O17 O20 111(2) 2 2
Cl2 O17 O20 71.8(8) . 2
O19 O17 O20 98.8(16) 2 2
O17 O18 Cl2 43.8(8) 2 .
O17 O18 Cl2 58.1(7) 2 2
Cl2 O18 Cl2 14.8(6) . 2
Cl2 O19 O17 40.8(8) . 2
Cl2 O19 Cl2 15.3(6) . 2
O17 O19 Cl2 54.8(6) 2 2
Cl2 O19 O19 61.4(11) . 2
O17 O19 O19 98.6(13) 2 2
Cl2 O19 O19 53.2(10) 2 2
Cl2 O20 O17 39.2(6) . 2
Cl2 O20 Cl2 10.8(5) . 2
O17 O20 Cl2 49.8(7) 2 2
Cl2 O17' O20' 64.3(11) 2 2
Cl2 O17' Cl2 10.2(8) 2 .
O20' O17' Cl2 54.2(11) 2 .
Cl2 O17' O19' 56.5(13) 2 2
O20' O17' O19' 101.4(19) 2 2
Cl2 O17' O19' 61.7(12) . 2
Cl2 O17' O18' 53.8(12) 2 2
O20' O17' O18' 96.8(17) 2 2
Cl2 O17' O18' 60.5(11) . 2
O19' O17' O18' 86.7(13) 2 2
Cl2 O18' O20' 55.0(10) . 2
Cl2 O18' Cl2 12.6(5) . 2
O20' O18' Cl2 51.8(6) 2 2
Cl2 O18' O17' 43.1(8) . 2
O20' O18' O17' 92.2(13) 2 2
Cl2 O18' O17' 53.7(8) 2 2
Cl2 O19' Cl2 13.1(5) . 2
Cl2 O19' O17' 45.5(8) . 2
Cl2 O19' O17' 55.9(7) 2 2
Cl2 O20' Cl2 17.5(6) 2 .
Cl2 O20' O17' 68.8(10) 2 2
Cl2 O20' O17' 51.4(9) . 2
Cl2 O20' O18' 60.0(12) 2 2
Cl2 O20' O18' 70.8(13) . 2
O17' O20' O18' 109.0(19) 2 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pr1 O11 2.454(9) .
Pr1 O12 2.484(5) .
Pr1 O12 2.484(5) 2_754
Pr1 O2 2.488(5) 2_754
Pr1 O2 2.488(5) .
Pr1 O6 2.544(6) 4_565
Pr1 O6 2.544(6) 3_765
Pr1 O1 2.577(5) .
Pr1 O1 2.577(5) 2_754
Ni1 N4 1.853(7) .
Ni1 N1 1.880(6) .
Ni1 N2 1.880(6) .
Ni1 N3 1.892(6) .
O1 C1 1.244(9) .
O2 C2 1.235(9) .
O3 C10 1.218(9) .
O4 C10 1.323(9) .
O4 C11 1.490(9) .
O5 C13 1.395(10) .
O5 C12 1.423(9) .
O6 C14 1.476(10) .
O6 Pr1 2.544(6) 3_765
O7 C22 1.207(9) .
O8 C22 1.312(9) .
O8 C23 1.470(9) .
O9 C25 1.434(11) .
O9 C24 1.448(10) .
O10 C26 1.450(12) .
O10 H10 0.8200 .
O11 H11C 0.8524 .
O11 H11D 0.8524 .
O12 H12C 0.8527 .
O12 H12D 0.8512 .
N1 C1 1.333(9) .
N1 C32 1.401(9) .
N2 C2 1.340(9) .
N2 C3 1.401(9) .
N3 C9 1.290(9) .
N3 C15 1.533(9) .
N4 C21 1.283(9) .
N4 C20 1.483(9) .
C1 C2 1.527(11) .
C3 C4 1.407(10) .
C3 C8 1.435(10) .
C4 C5 1.374(10) .
C4 H4 0.9300 .
C5 C6 1.373(11) .
C5 H5 0.9300 .
C6 C7 1.383(11) .
C6 H6 0.9300 .
C7 C8 1.421(10) .
C7 H7 0.9300 .
C8 C9 1.462(10) .
C9 C10 1.530(10) .
C11 C12 1.494(11) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.522(12) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C20 1.506(10) .
C15 C16 1.534(10) .
C15 H15 0.9800 .
C16 C17 1.520(11) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.535(12) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C19 1.540(10) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.517(11) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20 0.9800 .
C21 C27 1.448(10) .
C21 C22 1.512(11) .
C23 C24 1.499(11) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.423(14) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 C28 1.400(10) .
C27 C32 1.426(11) .
C28 C29 1.351(10) .
C28 H28 0.9300 .
C29 C30 1.372(11) .
C29 H29 0.9300 .
C30 C31 1.405(11) .
C30 H30 0.9300 .
C31 C32 1.359(10) .
C31 H31 0.9300 .
Cl1 O15 1.429(8) .
Cl1 O16 1.434(7) .
Cl1 O14 1.436(6) .
Cl1 O13 1.446(7) .
Cl2 Cl2 0.420(14) 2
Cl2 O17 1.024(14) 2
Cl2 O17' 1.210(19) 2
Cl2 O20' 1.35(2) 2
Cl2 O20' 1.396(9) .
Cl2 O17 1.413(9) .
Cl2 O19' 1.415(9) .
Cl2 O19 1.426(9) .
Cl2 O18' 1.429(9) .
Cl2 O18 1.453(9) .
Cl2 O20 1.465(9) .
Cl2 O17' 1.553(16) .
O17 Cl2 1.024(14) 2
O17 O18 1.24(3) 2
O17 O19 1.51(3) 2
O17 O20 1.57(3) 2
O18 O17 1.24(3) 2
O18 Cl2 1.601(14) 2
O19 O17 1.51(3) 2
O19 Cl2 1.565(12) 2
O19 O19 1.62(5) 2
O20 O17 1.57(3) 2
O20 Cl2 1.76(2) 2
O17' Cl2 1.210(19) 2
O17' O20' 1.40(3) 2
O17' O19' 1.66(3) 2
O17' O18' 1.76(3) 2
O18' O20' 1.50(4) 2
O18' Cl2 1.677(13) 2
O18' O17' 1.76(3) 2
O19' Cl2 1.651(13) 2
O19' O17' 1.66(3) 2
O20' Cl2 1.351(19) 2
O20' O17' 1.40(3) 2
O20' O18' 1.50(4) 2
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
O11 Pr1 O1 C1 130.1(6) . .
O12 Pr1 O1 C1 62.5(6) . .
O12 Pr1 O1 C1 -155.4(6) 2_754 .
O2 Pr1 O1 C1 -121.4(5) 2_754 .
O2 Pr1 O1 C1 -4.3(5) . .
O6 Pr1 O1 C1 -9.6(7) 4_565 .
O6 Pr1 O1 C1 -79.3(6) 3_765 .
O1 Pr1 O1 C1 130.1(6) 2_754 .
O11 Pr1 O2 C2 -46.4(6) . .
O12 Pr1 O2 C2 -102.3(6) . .
O12 Pr1 O2 C2 38.5(7) 2_754 .
O2 Pr1 O2 C2 133.6(6) 2_754 .
O6 Pr1 O2 C2 178.4(6) 4_565 .
O6 Pr1 O2 C2 89.9(6) 3_765 .
O1 Pr1 O2 C2 2.5(5) . .
O1 Pr1 O2 C2 -136.7(5) 2_754 .
N4 Ni1 N1 C1 -152.5(5) . .
N2 Ni1 N1 C1 21.0(5) . .
N3 Ni1 N1 C1 149(8) . .
N4 Ni1 N1 C32 26.2(6) . .
N2 Ni1 N1 C32 -160.3(6) . .
N3 Ni1 N1 C32 -32(9) . .
N4 Ni1 N2 C2 46(2) . .
N1 Ni1 N2 C2 -23.0(5) . .
N3 Ni1 N2 C2 158.5(5) . .
N4 Ni1 N2 C3 -122(2) . .
N1 Ni1 N2 C3 169.4(6) . .
N3 Ni1 N2 C3 -9.1(6) . .
N4 Ni1 N3 C9 -176.5(6) . .
N1 Ni1 N3 C9 -118(8) . .
N2 Ni1 N3 C9 10.0(7) . .
N4 Ni1 N3 C15 -3.5(5) . .
N1 Ni1 N3 C15 55(8) . .
N2 Ni1 N3 C15 -177.1(5) . .
N1 Ni1 N4 C21 -12.9(7) . .
N2 Ni1 N4 C21 -82(2) . .
N3 Ni1 N4 C21 165.5(7) . .
N1 Ni1 N4 C20 159.4(5) . .
N2 Ni1 N4 C20 91(2) . .
N3 Ni1 N4 C20 -22.2(5) . .
Pr1 O1 C1 N1 -175.7(6) . .
Pr1 O1 C1 C2 5.5(9) . .
C32 N1 C1 O1 -12.1(13) . .
Ni1 N1 C1 O1 166.7(7) . .
C32 N1 C1 C2 166.7(6) . .
Ni1 N1 C1 C2 -14.5(8) . .
Pr1 O2 C2 N2 -179.0(6) . .
Pr1 O2 C2 C1 -1.0(9) . .
C3 N2 C2 O2 6.7(12) . .
Ni1 N2 C2 O2 -161.9(7) . .
C3 N2 C2 C1 -171.3(6) . .
Ni1 N2 C2 C1 20.0(8) . .
O1 C1 C2 O2 -3.1(11) . .
N1 C1 C2 O2 177.9(7) . .
O1 C1 C2 N2 175.2(7) . .
N1 C1 C2 N2 -3.8(9) . .
C2 N2 C3 C4 22.3(11) . .
Ni1 N2 C3 C4 -171.3(6) . .
C2 N2 C3 C8 -160.6(7) . .
Ni1 N2 C3 C8 5.8(10) . .
N2 C3 C4 C5 178.5(7) . .
C8 C3 C4 C5 1.3(12) . .
C3 C4 C5 C6 0.7(12) . .
C4 C5 C6 C7 -3.1(12) . .
C5 C6 C7 C8 3.6(12) . .
C6 C7 C8 C3 -1.6(11) . .
C6 C7 C8 C9 -179.6(7) . .
N2 C3 C8 C7 -178.0(7) . .
C4 C3 C8 C7 -0.8(10) . .
N2 C3 C8 C9 -0.2(11) . .
C4 C3 C8 C9 177.0(7) . .
C15 N3 C9 C8 179.9(7) . .
Ni1 N3 C9 C8 -7.9(11) . .
C15 N3 C9 C10 -6.0(11) . .
Ni1 N3 C9 C10 166.2(5) . .
C7 C8 C9 N3 179.1(7) . .
C3 C8 C9 N3 1.3(12) . .
C7 C8 C9 C10 4.6(10) . .
C3 C8 C9 C10 -173.2(7) . .
C11 O4 C10 O3 -7.1(12) . .
C11 O4 C10 C9 167.7(7) . .
N3 C9 C10 O3 -76.9(10) . .
C8 C9 C10 O3 97.9(9) . .
N3 C9 C10 O4 108.0(8) . .
C8 C9 C10 O4 -77.2(8) . .
C10 O4 C11 C12 97.0(9) . .
C13 O5 C12 C11 -82.1(10) . .
O4 C11 C12 O5 -69.0(10) . .
C12 O5 C13 C14 173.6(7) . .
Pr1 O6 C14 C13 -106.2(7) 3_765 .
O5 C13 C14 O6 -85.6(10) . .
C9 N3 C15 C20 -159.2(7) . .
Ni1 N3 C15 C20 27.4(7) . .
C9 N3 C15 C16 -36.3(11) . .
Ni1 N3 C15 C16 150.4(6) . .
C20 C15 C16 C17 57.4(9) . .
N3 C15 C16 C17 -63.4(10) . .
C15 C16 C17 C18 -58.1(9) . .
C16 C17 C18 C19 54.5(9) . .
C17 C18 C19 C20 -53.5(9) . .
C21 N4 C20 C15 -143.4(7) . .
Ni1 N4 C20 C15 43.3(7) . .
C21 N4 C20 C19 95.7(8) . .
Ni1 N4 C20 C19 -77.5(7) . .
N3 C15 C20 N4 -44.5(8) . .
C16 C15 C20 N4 -173.3(6) . .
N3 C15 C20 C19 73.6(8) . .
C16 C15 C20 C19 -55.2(9) . .
C18 C19 C20 N4 173.5(7) . .
C18 C19 C20 C15 55.3(9) . .
C20 N4 C21 C27 -175.6(7) . .
Ni1 N4 C21 C27 -4.0(12) . .
C20 N4 C21 C22 1.9(11) . .
Ni1 N4 C21 C22 173.5(6) . .
C23 O8 C22 O7 4.9(12) . .
C23 O8 C22 C21 -175.1(7) . .
N4 C21 C22 O7 -87.3(10) . .
C27 C21 C22 O7 90.3(10) . .
N4 C21 C22 O8 92.7(9) . .
C27 C21 C22 O8 -89.7(9) . .
C22 O8 C23 C24 -164.2(7) . .
C25 O9 C24 C23 173.6(8) . .
O8 C23 C24 O9 -172.8(7) . .
C24 O9 C25 C26 82.7(12) . .
O9 C25 C26 O10 61.6(13) . .
N4 C21 C27 C28 -161.5(8) . .
C22 C21 C27 C28 21.0(11) . .
N4 C21 C27 C32 14.9(12) . .
C22 C21 C27 C32 -162.6(7) . .
C32 C27 C28 C29 -1.2(12) . .
C21 C27 C28 C29 175.3(8) . .
C27 C28 C29 C30 2.5(13) . .
C28 C29 C30 C31 -1.3(13) . .
C29 C30 C31 C32 -1.3(13) . .
C30 C31 C32 N1 -173.8(7) . .
C30 C31 C32 C27 2.5(12) . .
C1 N1 C32 C31 -27.8(11) . .
Ni1 N1 C32 C31 153.7(6) . .
C1 N1 C32 C27 155.9(7) . .
Ni1 N1 C32 C27 -22.7(10) . .
C28 C27 C32 C31 -1.3(12) . .
C21 C27 C32 C31 -177.8(7) . .
C28 C27 C32 N1 175.2(7) . .
C21 C27 C32 N1 -1.3(12) . .
O17 Cl2 O17 Cl2 68(11) 2 2
O17' Cl2 O17 Cl2 -168(4) 2 2
O20' Cl2 O17 Cl2 20(4) 2 2
O20' Cl2 O17 Cl2 -170(5) . 2
O19' Cl2 O17 Cl2 -71(4) . 2
O19 Cl2 O17 Cl2 -53(4) . 2
O18' Cl2 O17 Cl2 90(4) . 2
O18 Cl2 O17 Cl2 69(4) . 2
O20 Cl2 O17 Cl2 -174(3) . 2
O17' Cl2 O17 Cl2 8(3) . 2
Cl2 Cl2 O17 O18 -136(5) 2 2
O17 Cl2 O17 O18 -67(6) 2 2
O17' Cl2 O17 O18 56(2) 2 2
O20' Cl2 O17 O18 -115(2) 2 2
O20' Cl2 O17 O18 53.9(16) . 2
O19' Cl2 O17 O18 153(2) . 2
O19 Cl2 O17 O18 171(2) . 2
O18' Cl2 O17 O18 -46(2) . 2
O18 Cl2 O17 O18 -67(3) . 2
O20 Cl2 O17 O18 50(3) . 2
O17' Cl2 O17 O18 -127(3) . 2
Cl2 Cl2 O17 O19 93(4) 2 2
O17 Cl2 O17 O19 162(8) 2 2
O17' Cl2 O17 O19 -74.9(18) 2 2
O20' Cl2 O17 O19 113.8(19) 2 2
O20' Cl2 O17 O19 -76.9(16) . 2
O19' Cl2 O17 O19 22.4(19) . 2
O19 Cl2 O17 O19 40(2) . 2
O18' Cl2 O17 O19 -176.8(17) . 2
O18 Cl2 O17 O19 162(2) . 2
O20 Cl2 O17 O19 -81(2) . 2
O17' Cl2 O17 O19 102(2) . 2
Cl2 Cl2 O17 O20 -16(3) 2 2
O17 Cl2 O17 O20 52(8) 2 2
O17' Cl2 O17 O20 175.6(14) 2 2
O20' Cl2 O17 O20 4.2(16) 2 2
O20' Cl2 O17 O20 174(2) . 2
O19' Cl2 O17 O20 -87.1(18) . 2
O19 Cl2 O17 O20 -69.3(18) . 2
O18' Cl2 O17 O20 73.7(18) . 2
O18 Cl2 O17 O20 52.9(18) . 2
O20 Cl2 O17 O20 169.6(19) . 2
O17' Cl2 O17 O20 -7.6(18) . 2
Cl2 Cl2 O18 O17 -162(3) 2 2
O17' Cl2 O18 O17 48(3) 2 2
O20' Cl2 O18 O17 -89(3) 2 2
O20' Cl2 O18 O17 117(3) . 2
O17 Cl2 O18 O17 -180(2) . 2
O19' Cl2 O18 O17 -35(2) . 2
O19 Cl2 O18 O17 -55(2) . 2
O18' Cl2 O18 O17 55(4) . 2
O20 Cl2 O18 O17 61(2) . 2
O17' Cl2 O18 O17 -139(2) . 2
O17 Cl2 O18 Cl2 162(3) 2 2
O17' Cl2 O18 Cl2 -150(3) 2 2
O20' Cl2 O18 Cl2 73(3) 2 2
O20' Cl2 O18 Cl2 -81(2) . 2
O17 Cl2 O18 Cl2 -18(2) . 2
O19' Cl2 O18 Cl2 127(3) . 2
O19 Cl2 O18 Cl2 107(2) . 2
O18' Cl2 O18 Cl2 -143(5) . 2
O20 Cl2 O18 Cl2 -137(2) . 2
O17' Cl2 O18 Cl2 23(2) . 2
Cl2 Cl2 O19 O17 154(4) 2 2
O17' Cl2 O19 O17 -63(2) 2 2
O20' Cl2 O19 O17 70.9(19) 2 2
O20' Cl2 O19 O17 -127(2) . 2
O17 Cl2 O19 O17 168.7(14) . 2
O19' Cl2 O19 O17 -60(6) . 2
O18' Cl2 O19 O17 23(2) . 2
O18 Cl2 O19 O17 45.5(17) . 2
O20 Cl2 O19 O17 -69.2(16) . 2
O17' Cl2 O19 O17 127(2) . 2
O17 Cl2 O19 Cl2 -154(4) 2 2
O17' Cl2 O19 Cl2 144(3) 2 2
O20' Cl2 O19 Cl2 -83(3) 2 2
O20' Cl2 O19 Cl2 80(3) . 2
O17 Cl2 O19 Cl2 15(2) . 2
O19' Cl2 O19 Cl2 146(6) . 2
O18' Cl2 O19 Cl2 -130(3) . 2
O18 Cl2 O19 Cl2 -108(3) . 2
O20 Cl2 O19 Cl2 137(3) . 2
O17' Cl2 O19 Cl2 -27(2) . 2
Cl2 Cl2 O19 O19 -53(2) 2 2
O17 Cl2 O19 O19 153(2) 2 2
O17' Cl2 O19 O19 90(2) 2 2
O20' Cl2 O19 O19 -136(2) 2 2
O20' Cl2 O19 O19 26(2) . 2
O17 Cl2 O19 O19 -38.3(18) . 2
O19' Cl2 O19 O19 93(6) . 2
O18' Cl2 O19 O19 176.2(17) . 2
O18 Cl2 O19 O19 -161.4(15) . 2
O20 Cl2 O19 O19 83.9(17) . 2
O17' Cl2 O19 O19 -79.9(17) . 2
Cl2 Cl2 O20 O17 -170.6(16) 2 2
O17' Cl2 O20 O17 36(9) 2 2
O20' Cl2 O20 O17 -12(3) 2 2
O20' Cl2 O20 O17 -172.5(19) . 2
O17 Cl2 O20 O17 -168(2) . 2
O19' Cl2 O20 O17 64.6(13) . 2
O19 Cl2 O20 O17 68(2) . 2
O18' Cl2 O20 O17 -46.8(13) . 2
O18 Cl2 O20 O17 -49(2) . 2
O17' Cl2 O20 O17 -162(3) . 2
O17 Cl2 O20 Cl2 170.6(16) 2 2
O17' Cl2 O20 Cl2 -153(8) 2 2
O20' Cl2 O20 Cl2 159(2) 2 2
O20' Cl2 O20 Cl2 -2(2) . 2
O17 Cl2 O20 Cl2 2.3(11) . 2
O19' Cl2 O20 Cl2 -124.8(16) . 2
O19 Cl2 O20 Cl2 -121.8(14) . 2
O18' Cl2 O20 Cl2 123.8(15) . 2
O18 Cl2 O20 Cl2 121.7(13) . 2
O17' Cl2 O20 Cl2 8(3) . 2
O17 Cl2 O17' Cl2 -172(2) 2 2
O17' Cl2 O17' Cl2 10(13) 2 2
O20' Cl2 O17' Cl2 -172(2) 2 2
O20' Cl2 O17' Cl2 -4(2) . 2
O17 Cl2 O17' Cl2 -5.3(13) . 2
O19' Cl2 O17' Cl2 118(2) . 2
O19 Cl2 O17' Cl2 120.5(16) . 2
O18' Cl2 O17' Cl2 -124.9(19) . 2
O18 Cl2 O17' Cl2 -130.1(16) . 2
O20 Cl2 O17' Cl2 -13(4) . 2
Cl2 Cl2 O17' O20' 172(2) 2 2
O17 Cl2 O17' O20' 0(2) 2 2
O17' Cl2 O17' O20' -178(11) 2 2
O20' Cl2 O17' O20' 167(2) . 2
O17 Cl2 O17' O20' 166(2) . 2
O19' Cl2 O17' O20' -70(2) . 2
O19 Cl2 O17' O20' -67.8(14) . 2
O18' Cl2 O17' O20' 47(2) . 2
O18 Cl2 O17' O20' 41.5(13) . 2
O20 Cl2 O17' O20' 159(3) . 2
Cl2 Cl2 O17' O19' -56.6(16) 2 2
O17 Cl2 O17' O19' 131(2) 2 2
O17' Cl2 O17' O19' -47(12) 2 2
O20' Cl2 O17' O19' 131.7(15) 2 2
O20' Cl2 O17' O19' -61(2) . 2
O17 Cl2 O17' O19' -61.9(15) . 2
O19' Cl2 O17' O19' 61(2) . 2
O19 Cl2 O17' O19' 63.9(10) . 2
O18' Cl2 O17' O19' 179(2) . 2
O18 Cl2 O17' O19' 173.2(12) . 2
O20 Cl2 O17' O19' -69(3) . 2
Cl2 Cl2 O17' O18' 46.6(15) 2 2
O17 Cl2 O17' O18' -125(2) 2 2
O17' Cl2 O17' O18' 57(12) 2 2
O20' Cl2 O17' O18' -125.1(14) 2 2
O20' Cl2 O17' O18' 42(2) . 2
O17 Cl2 O17' O18' 41.3(14) . 2
O19' Cl2 O17' O18' 165(2) . 2
O19 Cl2 O17' O18' 167.1(11) . 2
O18' Cl2 O17' O18' -78(2) . 2
O18 Cl2 O17' O18' -83.5(10) . 2
O20 Cl2 O17' O18' 34(3) . 2
Cl2 Cl2 O18' O20' -71(3) 2 2
O17 Cl2 O18' O20' 81(3) 2 2
O17' Cl2 O18' O20' 144.9(19) 2 2
O20' Cl2 O18' O20' -157.2(14) . 2
O17 Cl2 O18' O20' -93(2) . 2
O19' Cl2 O18' O20' 70.7(19) . 2
O19 Cl2 O18' O20' 49.9(16) . 2
O18 Cl2 O18' O20' -28(4) . 2
O20 Cl2 O18' O20' 157.4(16) . 2
O17' Cl2 O18' O20' -42.4(15) . 2
O17 Cl2 O18' Cl2 152(4) 2 2
O17' Cl2 O18' Cl2 -144(3) 2 2
O20' Cl2 O18' Cl2 71(3) 2 2
O20' Cl2 O18' Cl2 -86(3) . 2
O17 Cl2 O18' Cl2 -21(3) . 2
O19' Cl2 O18' Cl2 142(3) . 2
O19 Cl2 O18' Cl2 121(3) . 2
O18 Cl2 O18' Cl2 43(6) . 2
O20 Cl2 O18' Cl2 -132(3) . 2
O17' Cl2 O18' Cl2 29(3) . 2
Cl2 Cl2 O18' O17' 144(3) 2 2
O17 Cl2 O18' O17' -64(3) 2 2
O20' Cl2 O18' O17' -144.9(19) 2 2
O20' Cl2 O18' O17' 57.9(16) . 2
O17 Cl2 O18' O17' 123(2) . 2
O19' Cl2 O18' O17' -74.2(16) . 2
O19 Cl2 O18' O17' -95.0(16) . 2
O18 Cl2 O18' O17' -173(6) . 2
O20 Cl2 O18' O17' 12.4(18) . 2
O17' Cl2 O18' O17' 172.7(14) . 2
O17 Cl2 O19' Cl2 -151(4) 2 2
O17' Cl2 O19' Cl2 140(4) 2 2
O20' Cl2 O19' Cl2 -83(3) 2 2
O20' Cl2 O19' Cl2 86(3) . 2
O17 Cl2 O19' Cl2 20(3) . 2
O19 Cl2 O19' Cl2 -38(7) . 2
O18' Cl2 O19' Cl2 -143(3) . 2
O18 Cl2 O19' Cl2 -119(3) . 2
O20 Cl2 O19' Cl2 134(3) . 2
O17' Cl2 O19' Cl2 -30(3) . 2
Cl2 Cl2 O19' O17' -140(4) 2 2
O17 Cl2 O19' O17' 69(2) 2 2
O20' Cl2 O19' O17' 137.2(17) 2 2
O20' Cl2 O19' O17' -54.0(17) . 2
O17 Cl2 O19' O17' -120(2) . 2
O19 Cl2 O19' O17' -178(6) . 2
O18' Cl2 O19' O17' 77.6(15) . 2
O18 Cl2 O19' O17' 100.9(18) . 2
O20 Cl2 O19' O17' -6.0(19) . 2
O17' Cl2 O19' O17' -170.0(12) . 2
O17 Cl2 O20' Cl2 169.1(17) 2 2
O17' Cl2 O20' Cl2 -174.9(14) 2 2
O20' Cl2 O20' Cl2 33(5) 2 2
O17 Cl2 O20' Cl2 3.2(14) . 2
O19' Cl2 O20' Cl2 -113.6(14) . 2
O19 Cl2 O20' Cl2 -93.9(13) . 2
O18' Cl2 O20' Cl2 116.2(13) . 2
O18 Cl2 O20' Cl2 95.4(14) . 2
O20 Cl2 O20' Cl2 178.5(18) . 2
O17' Cl2 O20' Cl2 2.2(12) . 2
Cl2 Cl2 O20' O17' 174.9(14) 2 2
O17 Cl2 O20' O17' -16(2) 2 2
O20' Cl2 O20' O17' -152(5) 2 2
O17 Cl2 O20' O17' 178(2) . 2
O19' Cl2 O20' O17' 61(2) . 2
O19 Cl2 O20' O17' 81.1(18) . 2
O18' Cl2 O20' O17' -69(2) . 2
O18 Cl2 O20' O17' -90(2) . 2
O20 Cl2 O20' O17' -7(2) . 2
O17' Cl2 O20' O17' 177(2) . 2
Cl2 Cl2 O20' O18' -49.0(13) 2 2
O17 Cl2 O20' O18' 120(2) 2 2
O17' Cl2 O20' O18' 136.0(18) 2 2
O20' Cl2 O20' O18' -16(6) 2 2
O17 Cl2 O20' O18' -45.9(13) . 2
O19' Cl2 O20' O18' -163(2) . 2
O19 Cl2 O20' O18' -142.9(17) . 2
O18' Cl2 O20' O18' 67(2) . 2
O18 Cl2 O20' O18' 46(2) . 2
O20 Cl2 O20' O18' 129(3) . 2
O17' Cl2 O20' O18' -47(2) . 2
