#------------------------------------------------------------------------------
#$Date: 2016-08-07 12:01:45 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185408 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/95/7039514.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_7039514
loop_
_publ_author_name
'Zhao, Minggang'
'Wang, Lixia'
'Li, Pangpang'
'Ma, Jianping'
'Zheng, Wenjun'
_publ_section_title
;
 1,2,4-Diazaphospholide complexes of lanthanum(iii), cerium(iii),
 neodymium(iii), praseodymium(iii), and samarium(iii): synthesis, X-ray
 structural characterization, and magnetic susceptibility studies.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11172
_journal_page_last               11181
_journal_paper_doi               10.1039/c6dt00696e
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C56 H104 Cl2 N8 O4 P4 Pr2'
_chemical_formula_weight         1430.07
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-04-22 deposited with the CCDC.
2016-05-27 downloaded from the CCDC.
;
_cell_angle_alpha                105.787(7)
_cell_angle_beta                 104.523(7)
_cell_angle_gamma                108.687(8)
_cell_formula_units_Z            1
_cell_length_a                   10.8923(10)
_cell_length_b                   12.7350(12)
_cell_length_c                   14.5804(9)
_cell_measurement_reflns_used    2780
_cell_measurement_temperature    110(14)
_cell_measurement_theta_max      27.8470
_cell_measurement_theta_min      3.3770
_cell_volume                     1712.2(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34k (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,16:31:05)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34k (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,16:31:05)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34k (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,16:31:05)
;
_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_environment      N~2~
_diffrn_ambient_temperature      110(14)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0793
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0599
_diffrn_reflns_av_unetI/netI     0.0944
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12116
_diffrn_reflns_theta_full        25.12
_diffrn_reflns_theta_max         25.12
_diffrn_reflns_theta_min         2.95
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 1
_diffrn_standards_interval_time  2.5
_diffrn_standards_number         14550
_exptl_absorpt_coefficient_mu    1.623
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87808
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34k (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,16:31:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            pale-green
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             740
_exptl_crystal_size_max          0.2100
_exptl_crystal_size_mid          0.0900
_exptl_crystal_size_min          0.0600
_refine_diff_density_max         3.180
_refine_diff_density_min         -1.477
_refine_diff_density_rms         0.191
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         6107
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.1029
_refine_ls_R_factor_gt           0.0782
_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)+(0.0943P)²+14.3075P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1906
_refine_ls_wR_factor_ref         0.2146
_reflns_number_gt                4799
_reflns_number_total             6107
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt00696e2.cif
_cod_data_source_block           exp_738
_cod_depositor_comments
'Adding full bibliography for 7039512--7039521.cif.'
_cod_database_code               7039514
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_group
C8 C 1.1392(11) 0.8812(9) 1.0827(9) 0.050(3) Uani 1 1 d . .
H8A H 1.1268 0.9544 1.0945 0.075 Uiso 1 1 calc R .
H8B H 1.2260 0.8927 1.0733 0.075 Uiso 1 1 calc R .
H8C H 1.1401 0.8590 1.1407 0.075 Uiso 1 1 calc R .
Pr1 Pr 0.64867(8) 0.62189(5) 0.66756(5) 0.0244(2) Uani 0.90 1 d P 3
Pr2 Pr 0.6987(7) 0.6325(5) 0.6480(5) 0.0229(16) Uani 0.10 1 d PU 4
P1 P 0.7581(3) 0.3149(2) 0.75812(18) 0.0295(6) Uani 1 1 d . .
P2 P 1.1229(3) 0.9215(2) 0.8716(2) 0.0376(6) Uani 1 1 d . .
N1 N 0.8695(9) 0.7606(7) 0.8148(6) 0.039(2) Uani 1 1 d . .
N3 N 0.6482(8) 0.4624(7) 0.7306(6) 0.0299(17) Uani 1 1 d . .
N4 N 0.7529(8) 0.4828(6) 0.6924(5) 0.0285(17) Uani 1 1 d . .
N2 N 0.8729(9) 0.7948(7) 0.7332(6) 0.0346(19) Uani 1 1 d . .
O1 O 0.5795(8) 0.7714(6) 0.6144(5) 0.049(2) Uani 1 1 d . .
O2 O 0.5333(7) 0.6997(6) 0.7882(6) 0.0430(18) Uani 1 1 d . .
C15 C 0.8209(9) 0.4136(8) 0.7010(6) 0.028(2) Uani 1 1 d . .
C7 C 1.0159(11) 0.7789(8) 0.9841(7) 0.035(2) Uani 1 1 d . .
C16 C 0.6358(9) 0.3765(8) 0.7671(7) 0.030(2) Uani 1 1 d . .
C14 C 0.9988(11) 0.5501(10) 0.6556(9) 0.045(3) Uani 1 1 d . .
H14A H 1.0300 0.6111 0.7225 0.067 Uiso 1 1 calc R .
H14B H 0.9271 0.5585 0.6081 0.067 Uiso 1 1 calc R .
H14C H 1.0758 0.5586 0.6332 0.067 Uiso 1 1 calc R .
C6 C 0.9936(10) 0.8157(8) 0.8917(7) 0.033(2) Uani 1 1 d . .
C10 C 0.8883(12) 0.7437(10) 1.0104(7) 0.042(3) Uani 1 1 d . .
H10A H 0.8945 0.8114 1.0636 0.063 Uiso 1 1 calc R .
H10B H 0.8816 0.6793 1.0339 0.063 Uiso 1 1 calc R .
H10C H 0.8070 0.7179 0.9507 0.063 Uiso 1 1 calc R .
C12 C 0.9402(11) 0.4259(9) 0.6605(8) 0.039(2) Uani 1 1 d . .
C5 C 0.9990(11) 0.8769(8) 0.7499(7) 0.036(2) Uani 1 1 d . .
C28 C 0.6299(15) 0.8966(10) 0.6848(8) 0.059(3) Uani 1 1 d . .
H28A H 0.7265 0.9423 0.6963 0.071 Uiso 1 1 calc R .
H28B H 0.6219 0.9004 0.7503 0.071 Uiso 1 1 calc R .
C4 C 0.9045(14) 0.8490(11) 0.5643(9) 0.064(4) Uani 1 1 d . .
H4A H 0.9205 0.8812 0.5138 0.096 Uiso 1 1 calc R .
H4B H 0.8182 0.8470 0.5704 0.096 Uiso 1 1 calc R .
H4C H 0.8998 0.7690 0.5436 0.096 Uiso 1 1 calc R .
C9 C 1.0544(13) 0.6709(9) 0.9561(8) 0.046(3) Uani 1 1 d . .
H9A H 1.0666 0.6441 1.0119 0.069 Uiso 1 1 calc R .
H9B H 1.1395 0.6947 0.9435 0.069 Uiso 1 1 calc R .
H9C H 0.9808 0.6068 0.8956 0.069 Uiso 1 1 calc R .
C17 C 0.5291(12) 0.3443(10) 0.8135(10) 0.051(3) Uani 1 1 d . .
C3 C 1.0301(15) 1.0575(10) 0.7023(10) 0.059(3) Uani 1 1 d . .
H3A H 1.1013 1.1081 0.7689 0.088 Uiso 1 1 calc R .
H3B H 0.9410 1.0524 0.7042 0.088 Uiso 1 1 calc R .
H3C H 1.0494 1.0908 0.6531 0.088 Uiso 1 1 calc R .
C1 C 1.0280(13) 0.9307(9) 0.6711(9) 0.048(3) Uani 1 1 d . .
Cl1 Cl 0.6394(3) 0.5311(2) 0.46109(17) 0.0362(6) Uani 1 1 d . .
C24 C 0.6046(11) 0.7870(9) 0.8929(8) 0.042(3) Uani 1 1 d . .
H24A H 0.6924 0.8472 0.9010 0.051 Uiso 1 1 calc R .
H24B H 0.6228 0.7483 0.9404 0.051 Uiso 1 1 calc R .
C23 C 0.5038(12) 0.8435(11) 0.9114(10) 0.052(3) Uani 1 1 d . .
H23A H 0.5171 0.8726 0.9835 0.062 Uiso 1 1 calc R .
H23B H 0.5163 0.9096 0.8883 0.062 Uiso 1 1 calc R .
C11 C 1.0526(15) 0.4072(13) 0.7303(13) 0.068(4) Uani 1 1 d . .
H11A H 1.1249 0.4101 0.7032 0.102 Uiso 1 1 calc R .
H11B H 1.0131 0.3303 0.7344 0.102 Uiso 1 1 calc R .
H11C H 1.0913 0.4692 0.7976 0.102 Uiso 1 1 calc R .
C21 C 0.3873(11) 0.6802(11) 0.7537(9) 0.051(3) Uani 1 1 d . .
H21A H 0.3267 0.5951 0.7244 0.061 Uiso 1 1 calc R .
H21B H 0.3674 0.7137 0.7024 0.061 Uiso 1 1 calc R .
C22 C 0.3660(14) 0.7445(12) 0.8499(11) 0.062(3) Uani 1 1 d . .
H22A H 0.2951 0.7741 0.8330 0.074 Uiso 1 1 calc R .
H22B H 0.3400 0.6919 0.8855 0.074 Uiso 1 1 calc R .
C2 C 1.1545(14) 0.9295(11) 0.6579(10) 0.058(4) Uani 1 1 d . .
H2A H 1.2335 0.9876 0.7184 0.087 Uiso 1 1 calc R .
H2B H 1.1616 0.9489 0.5997 0.087 Uiso 1 1 calc R .
H2C H 1.1527 0.8510 0.6470 0.087 Uiso 1 1 calc R .
C26 C 0.5141(19) 0.8834(11) 0.5205(10) 0.094(6) Uani 1 1 d . .
H26A H 0.5910 0.9277 0.5045 0.113 Uiso 1 1 calc R .
H26B H 0.4280 0.8779 0.4753 0.113 Uiso 1 1 calc R .
C25 C 0.5069(15) 0.7588(10) 0.5083(8) 0.059(3) Uani 1 1 d . .
H25A H 0.4109 0.6999 0.4802 0.071 Uiso 1 1 calc R .
H25B H 0.5540 0.7349 0.4635 0.071 Uiso 1 1 calc R .
C13 C 0.8803(18) 0.3319(13) 0.5513(12) 0.094(6) Uani 1 1 d . .
H13A H 0.9458 0.3509 0.5184 0.140 Uiso 1 1 calc R .
H13B H 0.7944 0.3319 0.5134 0.140 Uiso 1 1 calc R .
H13C H 0.8631 0.2540 0.5535 0.140 Uiso 1 1 calc R .
C27 C 0.5358(19) 0.9437(12) 0.6304(11) 0.082(5) Uani 1 1 d . .
H27A H 0.4482 0.9211 0.6411 0.098 Uiso 1 1 calc R .
H27B H 0.5807 1.0304 0.6533 0.098 Uiso 1 1 calc R .
C20 C 0.528(3) 0.250(3) 0.856(2) 0.064(8) Uani 0.54(2) 1 d PU 1
H20A H 0.4451 0.2242 0.8712 0.096 Uiso 0.54(2) 1 calc PR 1
H20B H 0.6087 0.2829 0.9173 0.096 Uiso 0.54(2) 1 calc PR 1
H20C H 0.5285 0.1836 0.8061 0.096 Uiso 0.54(2) 1 calc PR 1
C19 C 0.377(3) 0.271(2) 0.709(2) 0.064(8) Uani 0.54(2) 1 d PU 1
H19A H 0.3008 0.2722 0.7310 0.096 Uiso 0.54(2) 1 calc PR 1
H19B H 0.3628 0.1900 0.6763 0.096 Uiso 0.54(2) 1 calc PR 1
H19C H 0.3815 0.3111 0.6622 0.096 Uiso 0.54(2) 1 calc PR 1
C18 C 0.505(4) 0.444(3) 0.866(3) 0.095(11) Uani 0.54(2) 1 d PU 1
H18A H 0.4998 0.4917 0.8250 0.142 Uiso 0.54(2) 1 calc PR 1
H18B H 0.5809 0.4929 0.9308 0.142 Uiso 0.54(2) 1 calc PR 1
H18C H 0.4194 0.4157 0.8767 0.142 Uiso 0.54(2) 1 calc PR 1
C18' C 0.415(3) 0.373(3) 0.787(3) 0.071(10) Uani 0.46(2) 1 d PU 2
H18D H 0.4481 0.4576 0.8004 0.106 Uiso 0.46(2) 1 calc PR 2
H18E H 0.3594 0.3541 0.8266 0.106 Uiso 0.46(2) 1 calc PR 2
H18F H 0.3595 0.3282 0.7152 0.106 Uiso 0.46(2) 1 calc PR 2
C19' C 0.611(3) 0.423(2) 0.940(2) 0.051(7) Uani 0.46(2) 1 d PU 2
H19D H 0.6580 0.5062 0.9526 0.076 Uiso 0.46(2) 1 calc PR 2
H19E H 0.6771 0.3942 0.9671 0.076 Uiso 0.46(2) 1 calc PR 2
H19F H 0.5434 0.4133 0.9722 0.076 Uiso 0.46(2) 1 calc PR 2
C20' C 0.492(3) 0.213(3) 0.812(3) 0.052(8) Uani 0.46(2) 1 d PU 2
H20D H 0.4142 0.1895 0.8333 0.077 Uiso 0.46(2) 1 calc PR 2
H20E H 0.5714 0.2120 0.8590 0.077 Uiso 0.46(2) 1 calc PR 2
H20F H 0.4691 0.1581 0.7444 0.077 Uiso 0.46(2) 1 calc PR 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'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 '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
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N2 Pr1 N3 115.8(3) . .
N2 Pr1 N4 94.3(3) . .
N3 Pr1 N4 32.6(3) . .
N2 Pr1 N1 32.5(3) . .
N3 Pr1 N1 88.7(3) . .
N4 Pr1 N1 79.2(3) . .
N2 Pr1 O1 77.9(3) . .
N3 Pr1 O1 161.8(3) . .
N4 Pr1 O1 165.1(3) . .
N1 Pr1 O1 99.5(2) . .
N2 Pr1 O2 100.8(2) . .
N3 Pr1 O2 91.7(3) . .
N4 Pr1 O2 121.1(3) . .
N1 Pr1 O2 84.2(3) . .
O1 Pr1 O2 73.1(3) . .
N2 Pr1 Cl1 95.92(19) . .
N3 Pr1 Cl1 105.14(19) . .
N4 Pr1 Cl1 84.00(18) . .
N1 Pr1 Cl1 122.3(2) . .
O1 Pr1 Cl1 84.27(18) . .
O2 Pr1 Cl1 148.12(18) . .
N2 Pr1 Cl1 157.0(2) . 2_666
N3 Pr1 Cl1 86.96(19) . 2_666
N4 Pr1 Cl1 104.43(19) . 2_666
N1 Pr1 Cl1 164.5(2) . 2_666
O1 Pr1 Cl1 80.79(17) . 2_666
O2 Pr1 Cl1 81.03(17) . 2_666
Cl1 Pr1 Cl1 73.25(9) . 2_666
N2 Pr2 N4 107.3(4) . .
N2 Pr2 N1 35.2(3) . .
N4 Pr2 N1 82.9(3) . .
N2 Pr2 Cl1 120.2(4) . .
N4 Pr2 Cl1 95.0(3) . .
N1 Pr2 Cl1 149.5(4) . .
N2 Pr2 O1 82.7(3) . .
N4 Pr2 O1 163.5(4) . .
N1 Pr2 O1 99.6(3) . .
Cl1 Pr2 O1 91.0(3) . .
N2 Pr2 N3 118.4(4) . .
N4 Pr2 N3 30.2(3) . .
N1 Pr2 N3 84.5(3) . .
Cl1 Pr2 N3 108.7(3) . .
O1 Pr2 N3 133.4(4) . .
N2 Pr2 Cl1 152.6(4) . 2_666
N4 Pr2 Cl1 95.3(3) . 2_666
N1 Pr2 Cl1 138.8(4) . 2_666
Cl1 Pr2 Cl1 71.62(17) . 2_666
O1 Pr2 Cl1 72.0(2) . 2_666
N3 Pr2 Cl1 74.9(2) . 2_666
C15 P1 C16 87.0(5) . .
C5 P2 C6 86.7(5) . .
C6 N1 N2 112.0(8) . .
C6 N1 Pr2 158.4(8) . .
N2 N1 Pr2 60.4(5) . .
C6 N1 Pr1 168.5(7) . .
N2 N1 Pr1 72.3(5) . .
Pr2 N1 Pr1 15.66(18) . .
C16 N3 N4 112.6(8) . .
C16 N3 Pr1 173.6(7) . .
N4 N3 Pr1 73.8(4) . .
C16 N3 Pr2 172.8(7) . .
N4 N3 Pr2 60.3(4) . .
Pr1 N3 Pr2 13.52(15) . .
C15 N4 N3 113.6(7) . .
C15 N4 Pr2 156.9(7) . .
N3 N4 Pr2 89.5(5) . .
C15 N4 Pr1 172.8(7) . .
N3 N4 Pr1 73.6(5) . .
Pr2 N4 Pr1 15.86(18) . .
C5 N2 N1 113.1(8) . .
C5 N2 Pr2 152.9(7) . .
N1 N2 Pr2 84.4(5) . .
C5 N2 Pr1 167.2(7) . .
N1 N2 Pr1 75.2(5) . .
Pr2 N2 Pr1 14.3(2) . .
C28 O1 C25 109.0(7) . .
C28 O1 Pr1 122.7(5) . .
C25 O1 Pr1 127.4(6) . .
C28 O1 Pr2 123.1(6) . .
C25 O1 Pr2 121.4(6) . .
Pr1 O1 Pr2 15.00(16) . .
C24 O2 C21 109.0(8) . .
C24 O2 Pr1 126.4(6) . .
C21 O2 Pr1 123.5(6) . .
N4 C15 C12 119.3(8) . .
N4 C15 P1 113.4(7) . .
C12 C15 P1 127.4(8) . .
C10 C7 C6 112.4(8) . .
C10 C7 C9 109.3(9) . .
C6 C7 C9 107.3(8) . .
C10 C7 C8 107.7(9) . .
C6 C7 C8 112.5(9) . .
C9 C7 C8 107.5(8) . .
N3 C16 C17 119.8(9) . .
N3 C16 P1 113.5(7) . .
C17 C16 P1 126.7(8) . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
N1 C6 C7 119.9(9) . .
N1 C6 P2 114.4(7) . .
C7 C6 P2 125.6(7) . .
C7 C10 H10A 109.5 . .
C7 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C7 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C11 C12 C13 111.1(12) . .
C11 C12 C14 110.8(9) . .
C13 C12 C14 107.8(10) . .
C11 C12 C15 109.1(9) . .
C13 C12 C15 108.2(9) . .
C14 C12 C15 109.9(9) . .
N2 C5 C1 122.8(9) . .
N2 C5 P2 113.6(7) . .
C1 C5 P2 123.5(7) . .
O1 C28 C27 104.3(9) . .
O1 C28 H28A 110.9 . .
C27 C28 H28A 110.9 . .
O1 C28 H28B 110.9 . .
C27 C28 H28B 110.9 . .
H28A C28 H28B 108.9 . .
C1 C4 H4A 109.5 . .
C1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C18' C17 C18 49.5(18) . .
C18' C17 C20 123.1(19) . .
C18 C17 C20 120(2) . .
C18' C17 C16 118.3(17) . .
C18 C17 C16 113.5(16) . .
C20 C17 C16 115.4(15) . .
C18' C17 C20' 115(2) . .
C18 C17 C20' 134.3(19) . .
C20 C17 C20' 22.6(14) . .
C16 C17 C20' 110.7(14) . .
C18' C17 C19' 104.3(19) . .
C18 C17 C19' 57.9(18) . .
C20 C17 C19' 76.7(17) . .
C16 C17 C19' 106.4(12) . .
C20' C17 C19' 99.2(18) . .
C18' C17 C19 49.4(17) . .
C18 C17 C19 98.8(19) . .
C20 C17 C19 102.1(17) . .
C16 C17 C19 102.7(12) . .
C20' C17 C19 81.9(16) . .
C19' C17 C19 148.3(15) . .
C1 C3 H3A 109.5 . .
C1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C2 C1 C5 110.8(11) . .
C2 C1 C3 112.8(10) . .
C5 C1 C3 110.0(9) . .
C2 C1 C4 107.2(10) . .
C5 C1 C4 108.1(8) . .
C3 C1 C4 107.7(11) . .
Pr2 Cl1 Pr1 11.62(16) . .
Pr2 Cl1 Pr1 118.36(19) . 2_666
Pr1 Cl1 Pr1 106.75(9) . 2_666
Pr2 Cl1 Pr2 108.38(17) . 2_666
Pr1 Cl1 Pr2 96.77(13) . 2_666
Pr1 Cl1 Pr2 9.99(11) 2_666 2_666
O2 C24 C23 104.6(8) . .
O2 C24 H24A 110.8 . .
C23 C24 H24A 110.8 . .
O2 C24 H24B 110.8 . .
C23 C24 H24B 110.8 . .
H24A C24 H24B 108.9 . .
C22 C23 C24 103.5(10) . .
C22 C23 H23A 111.1 . .
C24 C23 H23A 111.1 . .
C22 C23 H23B 111.1 . .
C24 C23 H23B 111.1 . .
H23A C23 H23B 109.0 . .
C12 C11 H11A 109.5 . .
C12 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C12 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
O2 C21 C22 105.4(9) . .
O2 C21 H21A 110.7 . .
C22 C21 H21A 110.7 . .
O2 C21 H21B 110.7 . .
C22 C21 H21B 110.7 . .
H21A C21 H21B 108.8 . .
C23 C22 C21 102.5(10) . .
C23 C22 H22A 111.3 . .
C21 C22 H22A 111.3 . .
C23 C22 H22B 111.3 . .
C21 C22 H22B 111.3 . .
H22A C22 H22B 109.2 . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C27 C26 C25 105.6(11) . .
C27 C26 H26A 110.6 . .
C25 C26 H26A 110.6 . .
C27 C26 H26B 110.6 . .
C25 C26 H26B 110.6 . .
H26A C26 H26B 108.8 . .
O1 C25 C26 104.2(8) . .
O1 C25 H25A 110.9 . .
C26 C25 H25A 110.9 . .
O1 C25 H25B 110.9 . .
C26 C25 H25B 110.9 . .
H25A C25 H25B 108.9 . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C26 C27 C28 102.3(12) . .
C26 C27 H27A 111.3 . .
C28 C27 H27A 111.3 . .
C26 C27 H27B 111.3 . .
C28 C27 H27B 111.3 . .
H27A C27 H27B 109.2 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
C17 C18' H18D 109.5 . .
C17 C18' H18E 109.5 . .
H18D C18' H18E 109.5 . .
C17 C18' H18F 109.5 . .
H18D C18' H18F 109.5 . .
H18E C18' H18F 109.5 . .
C17 C19' H19D 109.5 . .
C17 C19' H19E 109.5 . .
H19D C19' H19E 109.5 . .
C17 C19' H19F 109.5 . .
H19D C19' H19F 109.5 . .
H19E C19' H19F 109.5 . .
C17 C20' H20D 109.5 . .
C17 C20' H20E 109.5 . .
H20D C20' H20E 109.5 . .
C17 C20' H20F 109.5 . .
H20D C20' H20F 109.5 . .
H20E C20' H20F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C8 C7 1.568(13) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
Pr1 N2 2.442(8) .
Pr1 N3 2.445(8) .
Pr1 N4 2.447(7) .
Pr1 N1 2.478(8) .
Pr1 O1 2.494(7) .
Pr1 O2 2.572(7) .
Pr1 Cl1 2.879(3) .
Pr1 Cl1 2.881(3) 2_666
Pr2 N2 2.080(10) .
Pr2 N4 2.366(9) .
Pr2 N1 2.380(10) .
Pr2 Cl1 2.486(7) .
Pr2 O1 2.584(9) .
Pr2 N3 2.725(10) .
Pr2 Cl1 3.282(7) 2_666
P1 C15 1.745(9) .
P1 C16 1.763(10) .
P2 C5 1.747(10) .
P2 C6 1.759(10) .
N1 C6 1.334(13) .
N1 N2 1.379(11) .
N3 C16 1.326(12) .
N3 N4 1.373(11) .
N4 C15 1.332(12) .
N2 C5 1.346(12) .
O1 C28 1.471(12) .
O1 C25 1.489(12) .
O2 C24 1.449(12) .
O2 C21 1.457(13) .
C15 C12 1.539(14) .
C7 C10 1.498(15) .
C7 C6 1.531(13) .
C7 C9 1.544(14) .
C16 C17 1.489(15) .
C14 C12 1.535(15) .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C12 C11 1.511(17) .
C12 C13 1.528(16) .
C5 C1 1.537(14) .
C28 C27 1.511(17) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C4 C1 1.577(16) .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C17 C18' 1.40(3) .
C17 C18 1.43(3) .
C17 C20 1.48(3) .
C17 C20' 1.58(3) .
C17 C19' 1.67(3) .
C17 C19 1.70(3) .
C3 C1 1.545(16) .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C1 C2 1.443(17) .
Cl1 Pr1 2.881(2) 2_666
Cl1 Pr2 3.282(7) 2_666
C24 C23 1.531(15) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C23 C22 1.464(18) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C21 C22 1.534(17) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C26 C27 1.50(2) .
C26 C25 1.521(15) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C18' H18D 0.9600 .
C18' H18E 0.9600 .
C18' H18F 0.9600 .
C19' H19D 0.9600 .
C19' H19E 0.9600 .
C19' H19F 0.9600 .
C20' H20D 0.9600 .
C20' H20E 0.9600 .
C20' H20F 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
N2 Pr2 N1 C6 -75(2) . .
N4 Pr2 N1 C6 59(2) . .
Cl1 Pr2 N1 C6 -28(2) . .
O1 Pr2 N1 C6 -137.0(19) . .
N3 Pr2 N1 C6 89.9(19) . .
Cl1 Pr2 N1 C6 149.3(18) 2_666 .
N4 Pr2 N1 N2 134.2(6) . .
Cl1 Pr2 N1 N2 46.5(9) . .
O1 Pr2 N1 N2 -62.3(6) . .
N3 Pr2 N1 N2 164.5(6) . .
Cl1 Pr2 N1 N2 -136.0(6) 2_666 .
N2 Pr2 N1 Pr1 137.0(8) . .
N4 Pr2 N1 Pr1 -88.9(6) . .
Cl1 Pr2 N1 Pr1 -176.6(11) . .
O1 Pr2 N1 Pr1 74.7(6) . .
N3 Pr2 N1 Pr1 -58.5(5) . .
Cl1 Pr2 N1 Pr1 1.0(3) 2_666 .
N2 Pr1 N1 C6 -114(4) . .
N3 Pr1 N1 C6 34(4) . .
N4 Pr1 N1 C6 2(4) . .
O1 Pr1 N1 C6 -163(4) . .
O2 Pr1 N1 C6 126(4) . .
Cl1 Pr1 N1 C6 -73(4) . .
Cl1 Pr1 N1 C6 108(4) 2_666 .
N3 Pr1 N1 N2 147.5(5) . .
N4 Pr1 N1 N2 116.1(5) . .
O1 Pr1 N1 N2 -48.9(6) . .
O2 Pr1 N1 N2 -120.7(5) . .
Cl1 Pr1 N1 N2 40.3(6) . .
Cl1 Pr1 N1 N2 -138.7(6) 2_666 .
N2 Pr1 N1 Pr2 -38.5(7) . .
N3 Pr1 N1 Pr2 108.9(6) . .
N4 Pr1 N1 Pr2 77.5(6) . .
O1 Pr1 N1 Pr2 -87.4(6) . .
O2 Pr1 N1 Pr2 -159.2(6) . .
Cl1 Pr1 N1 Pr2 1.8(6) . .
Cl1 Pr1 N1 Pr2 -177.2(9) 2_666 .
N2 Pr1 N3 C16 130(6) . .
N4 Pr1 N3 C16 -177(6) . .
N1 Pr1 N3 C16 111(6) . .
O1 Pr1 N3 C16 -6(6) . .
O2 Pr1 N3 C16 27(6) . .
Cl1 Pr1 N3 C16 -125(6) . .
Cl1 Pr1 N3 C16 -54(6) 2_666 .
N2 Pr1 N3 N4 -53.1(5) . .
N1 Pr1 N3 N4 -71.8(5) . .
O1 Pr1 N3 N4 170.8(6) . .
O2 Pr1 N3 N4 -156.0(4) . .
Cl1 Pr1 N3 N4 51.4(4) . .
Cl1 Pr1 N3 N4 123.1(4) 2_666 .
N2 Pr1 N3 Pr2 -53.8(6) . .
N4 Pr1 N3 Pr2 -0.8(7) . .
N1 Pr1 N3 Pr2 -72.6(6) . .
O1 Pr1 N3 Pr2 170.0(10) . .
O2 Pr1 N3 Pr2 -156.7(6) . .
Cl1 Pr1 N3 Pr2 50.6(5) . .
Cl1 Pr1 N3 Pr2 122.3(5) 2_666 .
N2 Pr2 N3 C16 -80(5) . .
N4 Pr2 N3 C16 -4(5) . .
N1 Pr2 N3 C16 -90(5) . .
Cl1 Pr2 N3 C16 62(5) . .
O1 Pr2 N3 C16 172(5) . .
Cl1 Pr2 N3 C16 126(5) 2_666 .
N2 Pr2 N3 N4 -75.2(6) . .
N1 Pr2 N3 N4 -85.2(5) . .
Cl1 Pr2 N3 N4 66.6(5) . .
O1 Pr2 N3 N4 176.7(5) . .
Cl1 Pr2 N3 N4 130.8(5) 2_666 .
N2 Pr2 N3 Pr1 104.0(7) . .
N4 Pr2 N3 Pr1 179.2(8) . .
N1 Pr2 N3 Pr1 93.9(6) . .
Cl1 Pr2 N3 Pr1 -114.3(6) . .
O1 Pr2 N3 Pr1 -4.1(4) . .
Cl1 Pr2 N3 Pr1 -50.1(5) 2_666 .
C16 N3 N4 C15 -0.7(10) . .
Pr1 N3 N4 C15 179.6(7) . .
Pr2 N3 N4 C15 179.8(8) . .
C16 N3 N4 Pr2 179.4(7) . .
Pr1 N3 N4 Pr2 -0.21(19) . .
C16 N3 N4 Pr1 179.6(7) . .
Pr2 N3 N4 Pr1 0.21(19) . .
N2 Pr2 N4 C15 -62.6(16) . .
N1 Pr2 N4 C15 -88.3(16) . .
Cl1 Pr2 N4 C15 61.1(16) . .
O1 Pr2 N4 C15 171.9(14) . .
N3 Pr2 N4 C15 -179.6(18) . .
Cl1 Pr2 N4 C15 133.1(15) 2_666 .
N2 Pr2 N4 N3 117.0(6) . .
N1 Pr2 N4 N3 91.4(5) . .
Cl1 Pr2 N4 N3 -119.2(5) . .
O1 Pr2 N4 N3 -8.5(14) . .
Cl1 Pr2 N4 N3 -47.3(5) 2_666 .
N2 Pr2 N4 Pr1 116.3(7) . .
N1 Pr2 N4 Pr1 90.6(6) . .
Cl1 Pr2 N4 Pr1 -119.9(6) . .
O1 Pr2 N4 Pr1 -9.2(9) . .
N3 Pr2 N4 Pr1 -0.7(7) . .
Cl1 Pr2 N4 Pr1 -48.0(4) 2_666 .
N2 Pr1 N4 C15 -44(5) . .
N3 Pr1 N4 C15 -177(5) . .
N1 Pr1 N4 C15 -73(5) . .
O1 Pr1 N4 C15 14(5) . .
O2 Pr1 N4 C15 -149(5) . .
Cl1 Pr1 N4 C15 52(5) . .
Cl1 Pr1 N4 C15 123(5) 2_666 .
N2 Pr1 N4 N3 133.8(5) . .
N1 Pr1 N4 N3 104.8(5) . .
O1 Pr1 N4 N3 -168.7(8) . .
O2 Pr1 N4 N3 28.4(5) . .
Cl1 Pr1 N4 N3 -130.7(4) . .
Cl1 Pr1 N4 N3 -59.7(4) 2_666 .
N2 Pr1 N4 Pr2 -47.0(6) . .
N3 Pr1 N4 Pr2 179.2(7) . .
N1 Pr1 N4 Pr2 -75.9(6) . .
O1 Pr1 N4 Pr2 10.5(10) . .
O2 Pr1 N4 Pr2 -152.4(6) . .
Cl1 Pr1 N4 Pr2 48.6(5) . .
Cl1 Pr1 N4 Pr2 119.5(5) 2_666 .
C6 N1 N2 C5 -1.0(12) . .
Pr2 N1 N2 C5 -158.5(9) . .
Pr1 N1 N2 C5 -169.6(8) . .
C6 N1 N2 Pr2 157.5(8) . .
Pr1 N1 N2 Pr2 -11.1(2) . .
C6 N1 N2 Pr1 168.6(8) . .
Pr2 N1 N2 Pr1 11.1(2) . .
N4 Pr2 N2 C5 84.0(16) . .
N1 Pr2 N2 C5 132.2(19) . .
Cl1 Pr2 N2 C5 -22.6(18) . .
O1 Pr2 N2 C5 -109.4(16) . .
N3 Pr2 N2 C5 114.7(16) . .
Cl1 Pr2 N2 C5 -131.8(15) 2_666 .
N4 Pr2 N2 N1 -48.2(6) . .
Cl1 Pr2 N2 N1 -154.8(5) . .
O1 Pr2 N2 N1 118.3(6) . .
N3 Pr2 N2 N1 -17.6(7) . .
Cl1 Pr2 N2 N1 95.9(9) 2_666 .
N4 Pr2 N2 Pr1 -97.3(8) . .
N1 Pr2 N2 Pr1 -49.0(9) . .
Cl1 Pr2 N2 Pr1 156.1(9) . .
O1 Pr2 N2 Pr1 69.3(7) . .
N3 Pr2 N2 Pr1 -66.6(7) . .
Cl1 Pr2 N2 Pr1 46.9(7) 2_666 .
N3 Pr1 N2 C5 95(3) . .
N4 Pr1 N2 C5 69(3) . .
N1 Pr1 N2 C5 132(3) . .
O1 Pr1 N2 C5 -98(3) . .
O2 Pr1 N2 C5 -168(3) . .
Cl1 Pr1 N2 C5 -15(3) . .
Cl1 Pr1 N2 C5 -75(3) 2_666 .
N3 Pr1 N2 N1 -36.7(6) . .
N4 Pr1 N2 N1 -62.3(5) . .
O1 Pr1 N2 N1 130.5(6) . .
O2 Pr1 N2 N1 60.6(5) . .
Cl1 Pr1 N2 N1 -146.6(5) . .
Cl1 Pr1 N2 N1 153.1(5) 2_666 .
N3 Pr1 N2 Pr2 92.3(7) . .
N4 Pr1 N2 Pr2 66.7(7) . .
N1 Pr1 N2 Pr2 129.0(9) . .
O1 Pr1 N2 Pr2 -100.5(7) . .
O2 Pr1 N2 Pr2 -170.4(7) . .
Cl1 Pr1 N2 Pr2 -17.7(7) . .
Cl1 Pr1 N2 Pr2 -77.9(9) 2_666 .
N2 Pr1 O1 C28 -47.4(9) . .
N3 Pr1 O1 C28 93.0(11) . .
N4 Pr1 O1 C28 -106.7(12) . .
N1 Pr1 O1 C28 -22.9(10) . .
O2 Pr1 O1 C28 58.0(9) . .
Cl1 Pr1 O1 C28 -144.7(9) . .
Cl1 Pr1 O1 C28 141.4(9) 2_666 .
N2 Pr1 O1 C25 120.6(10) . .
N3 Pr1 O1 C25 -99.0(12) . .
N4 Pr1 O1 C25 61.3(14) . .
N1 Pr1 O1 C25 145.1(10) . .
O2 Pr1 O1 C25 -134.0(10) . .
Cl1 Pr1 O1 C25 23.3(10) . .
Cl1 Pr1 O1 C25 -50.6(10) 2_666 .
N2 Pr1 O1 Pr2 49.1(5) . .
N3 Pr1 O1 Pr2 -170.5(9) . .
N4 Pr1 O1 Pr2 -10.2(10) . .
N1 Pr1 O1 Pr2 73.6(6) . .
O2 Pr1 O1 Pr2 154.6(5) . .
Cl1 Pr1 O1 Pr2 -48.2(5) . .
Cl1 Pr1 O1 Pr2 -122.1(5) 2_666 .
N2 Pr2 O1 C28 -25.6(10) . .
N4 Pr2 O1 C28 102.8(14) . .
N1 Pr2 O1 C28 5.4(10) . .
Cl1 Pr2 O1 C28 -145.9(9) . .
N3 Pr2 O1 C28 96.9(10) . .
Cl1 Pr2 O1 C28 143.8(9) 2_666 .
N2 Pr2 O1 C25 123.1(9) . .
N4 Pr2 O1 C25 -108.5(14) . .
N1 Pr2 O1 C25 154.1(9) . .
Cl1 Pr2 O1 C25 2.8(9) . .
N3 Pr2 O1 C25 -114.4(9) . .
Cl1 Pr2 O1 C25 -67.6(8) 2_666 .
N2 Pr2 O1 Pr1 -118.9(6) . .
N4 Pr2 O1 Pr1 9.5(9) . .
N1 Pr2 O1 Pr1 -87.9(6) . .
Cl1 Pr2 O1 Pr1 120.8(6) . .
N3 Pr2 O1 Pr1 3.7(3) . .
Cl1 Pr2 O1 Pr1 50.5(5) 2_666 .
N2 Pr1 O2 C24 -28.7(8) . .
N3 Pr1 O2 C24 88.0(8) . .
N4 Pr1 O2 C24 73.1(8) . .
N1 Pr1 O2 C24 -0.6(8) . .
O1 Pr1 O2 C24 -102.4(8) . .
Cl1 Pr1 O2 C24 -149.1(7) . .
Cl1 Pr1 O2 C24 174.6(8) 2_666 .
N2 Pr1 O2 C21 138.2(8) . .
N3 Pr1 O2 C21 -105.2(8) . .
N4 Pr1 O2 C21 -120.0(8) . .
N1 Pr1 O2 C21 166.3(8) . .
O1 Pr1 O2 C21 64.5(8) . .
Cl1 Pr1 O2 C21 17.7(9) . .
Cl1 Pr1 O2 C21 -18.5(8) 2_666 .
N3 N4 C15 C12 179.5(7) . .
Pr2 N4 C15 C12 -1(2) . .
Pr1 N4 C15 C12 -3(5) . .
N3 N4 C15 P1 0.2(9) . .
Pr2 N4 C15 P1 179.8(12) . .
Pr1 N4 C15 P1 177(4) . .
C16 P1 C15 N4 0.2(7) . .
C16 P1 C15 C12 -179.0(8) . .
N4 N3 C16 C17 178.8(9) . .
Pr1 N3 C16 C17 -5(6) . .
Pr2 N3 C16 C17 -177(5) . .
N4 N3 C16 P1 0.9(10) . .
Pr1 N3 C16 P1 178(5) . .
Pr2 N3 C16 P1 5(6) . .
C15 P1 C16 N3 -0.6(7) . .
C15 P1 C16 C17 -178.3(10) . .
N2 N1 C6 C7 -172.7(8) . .
Pr2 N1 C6 C7 -108.0(19) . .
Pr1 N1 C6 C7 -63(4) . .
N2 N1 C6 P2 3.4(11) . .
Pr2 N1 C6 P2 68(2) . .
Pr1 N1 C6 P2 113(3) . .
C10 C7 C6 N1 -35.0(13) . .
C9 C7 C6 N1 85.2(12) . .
C8 C7 C6 N1 -156.7(9) . .
C10 C7 C6 P2 149.3(8) . .
C9 C7 C6 P2 -90.5(10) . .
C8 C7 C6 P2 27.6(13) . .
C5 P2 C6 N1 -3.7(8) . .
C5 P2 C6 C7 172.2(9) . .
N4 C15 C12 C11 144.4(10) . .
P1 C15 C12 C11 -36.5(12) . .
N4 C15 C12 C13 -94.6(12) . .
P1 C15 C12 C13 84.5(12) . .
N4 C15 C12 C14 22.8(12) . .
P1 C15 C12 C14 -158.1(7) . .
N1 N2 C5 C1 -178.7(9) . .
Pr2 N2 C5 C1 54(2) . .
Pr1 N2 C5 C1 53(4) . .
N1 N2 C5 P2 -1.9(11) . .
Pr2 N2 C5 P2 -128.7(13) . .
Pr1 N2 C5 P2 -130(3) . .
C6 P2 C5 N2 3.1(8) . .
C6 P2 C5 C1 179.9(10) . .
C25 O1 C28 C27 23.9(15) . .
Pr1 O1 C28 C27 -166.1(9) . .
Pr2 O1 C28 C27 176.0(9) . .
N3 C16 C17 C18' 22(2) . .
P1 C16 C17 C18' -160.6(18) . .
N3 C16 C17 C18 -33(2) . .
P1 C16 C17 C18 144.1(19) . .
N3 C16 C17 C20 -177.7(17) . .
P1 C16 C17 C20 0(2) . .
N3 C16 C17 C20' 158.3(16) . .
P1 C16 C17 C20' -24.2(19) . .
N3 C16 C17 C19' -94.9(15) . .
P1 C16 C17 C19' 82.6(14) . .
N3 C16 C17 C19 72.2(14) . .
P1 C16 C17 C19 -110.2(12) . .
N2 C5 C1 C2 -132.9(11) . .
P2 C5 C1 C2 50.5(12) . .
N2 C5 C1 C3 101.6(12) . .
P2 C5 C1 C3 -74.9(13) . .
N2 C5 C1 C4 -15.8(15) . .
P2 C5 C1 C4 167.7(9) . .
N2 Pr2 Cl1 Pr1 -155.1(10) . .
N4 Pr2 Cl1 Pr1 91.6(7) . .
N1 Pr2 Cl1 Pr1 176.0(13) . .
O1 Pr2 Cl1 Pr1 -73.0(7) . .
N3 Pr2 Cl1 Pr1 64.0(6) . .
Cl1 Pr2 Cl1 Pr1 -2.3(6) 2_666 .
N2 Pr2 Cl1 Pr1 -152.3(4) . 2_666
N4 Pr2 Cl1 Pr1 94.4(3) . 2_666
N1 Pr2 Cl1 Pr1 178.8(6) . 2_666
O1 Pr2 Cl1 Pr1 -70.2(3) . 2_666
N3 Pr2 Cl1 Pr1 66.8(3) . 2_666
Cl1 Pr2 Cl1 Pr1 0.52(14) 2_666 2_666
N2 Pr2 Cl1 Pr2 -152.8(4) . 2_666
N4 Pr2 Cl1 Pr2 93.9(3) . 2_666
N1 Pr2 Cl1 Pr2 178.3(7) . 2_666
O1 Pr2 Cl1 Pr2 -70.7(2) . 2_666
N3 Pr2 Cl1 Pr2 66.3(3) . 2_666
Cl1 Pr2 Cl1 Pr2 0.0 2_666 2_666
N2 Pr1 Cl1 Pr2 18.2(7) . .
N3 Pr1 Cl1 Pr2 -100.6(7) . .
N4 Pr1 Cl1 Pr2 -75.5(7) . .
N1 Pr1 Cl1 Pr2 -2.3(7) . .
O1 Pr1 Cl1 Pr2 95.3(7) . .
O2 Pr1 Cl1 Pr2 139.8(8) . .
Cl1 Pr1 Cl1 Pr2 177.4(7) 2_666 .
N2 Pr1 Cl1 Pr1 -159.2(2) . 2_666
N3 Pr1 Cl1 Pr1 82.0(2) . 2_666
N4 Pr1 Cl1 Pr1 107.05(19) . 2_666
N1 Pr1 Cl1 Pr1 -179.7(2) . 2_666
O1 Pr1 Cl1 Pr1 -82.09(19) . 2_666
O2 Pr1 Cl1 Pr1 -37.6(3) . 2_666
Cl1 Pr1 Cl1 Pr1 0.0 2_666 2_666
N2 Pr1 Cl1 Pr2 -159.6(2) . 2_666
N3 Pr1 Cl1 Pr2 81.6(2) . 2_666
N4 Pr1 Cl1 Pr2 106.7(2) . 2_666
N1 Pr1 Cl1 Pr2 179.9(2) . 2_666
O1 Pr1 Cl1 Pr2 -82.5(2) . 2_666
O2 Pr1 Cl1 Pr2 -38.0(3) . 2_666
Cl1 Pr1 Cl1 Pr2 -0.40(11) 2_666 2_666
C21 O2 C24 C23 -14.0(12) . .
Pr1 O2 C24 C23 154.4(7) . .
O2 C24 C23 C22 33.4(12) . .
C24 O2 C21 C22 -9.6(12) . .
Pr1 O2 C21 C22 -178.5(7) . .
C24 C23 C22 C21 -38.4(13) . .
O2 C21 C22 C23 30.4(13) . .
C28 O1 C25 C26 -1.4(16) . .
Pr1 O1 C25 C26 -170.7(10) . .
Pr2 O1 C25 C26 -154.0(10) . .
C27 C26 C25 O1 -22.0(18) . .
C25 C26 C27 C28 36.3(18) . .
O1 C28 C27 C26 -36.8(16) . .
