#------------------------------------------------------------------------------
#$Date: 2016-03-23 04:05:21 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179276 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/96/4319673.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_4319673
loop_
_publ_author_name
'Tristram Chivers'
'Mark Krahn'
'Masood Parvez'
'Gabriele Schatte'
_publ_contact_author_address
; Department of Chemistry
  University of Calgary
  Calgary Alberta T2N 1N4
  Canada
;
_publ_contact_author_email       chivers@ucalgary.ca
_publ_contact_author_fax         '001 403 289 9488'
_publ_contact_author_name        'Dr Tristram Chivers'
_publ_contact_author_phone       '001 403 220 5741'
_publ_section_title
;
 Preparation and X-ray Structures of Alkali-Metal Derivatives of the
 Ambidentate Anions [tBuN(E)P(μ-NtBu)2P(E)NtBu]2- (E = S, Se) and
 [tBuN(Se)P(μ-NtBu)2PN(H)tBu)]-
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2547
_journal_page_last               2553
_journal_paper_doi               10.1021/ic001093o
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         'C32 H68 N4 Na2 O4 P2 S2'
_chemical_formula_sum            'C32 H68 N4 Na2 O4 P2 S2'
_chemical_formula_weight         744.94
_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
_cell_angle_alpha                90.314(15)
_cell_angle_beta                 94.771(11)
_cell_angle_gamma                100.287(16)
_cell_formula_units_Z            2
_cell_length_a                   10.4015(15)
_cell_length_b                   21.147(3)
_cell_length_c                   9.9192(12)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      24.62
_cell_measurement_theta_min      13.54
_cell_volume                     2138.9(5)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan (MSC, 1995)'
_computing_molecular_graphics    'teXsan (MSC, 1995)'
_computing_publication_material  'teXsan (MSC, 1995)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-92
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'Rigaku AFC6S'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0791
_diffrn_reflns_av_sigmaI/netI    0.3833
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            7570
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.53
_diffrn_standards_decay_%        4.0
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.256
_exptl_absorpt_correction_T_max  0.9506
_exptl_absorpt_correction_T_min  0.8936
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
 North,Phillips & Matthews, 1968
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.157
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.281
_refine_diff_density_min         -0.398
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.947
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     427
_refine_ls_number_reflns         7570
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.947
_refine_ls_R_factor_all          0.3334
_refine_ls_R_factor_gt           0.0551
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0526P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1247
_refine_ls_wR_factor_ref         0.2081
_reflns_number_gt                1786
_reflns_number_total             7570
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic001093o_5.cif
_cod_data_source_block           11a
_cod_database_code               4319673
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_assembly
_atom_site_disorder_group
S1 S 1.2431(2) 0.23059(11) 0.1659(2) 0.0477(7) Uani 1 1 d . . .
S2 S 0.8890(2) 0.11516(11) 0.4082(2) 0.0541(7) Uani 1 1 d . . .
P1 P 1.0844(2) 0.26486(11) 0.2091(2) 0.0358(6) Uani 1 1 d . . .
P2 P 0.8967(2) 0.20372(11) 0.3381(2) 0.0390(6) Uani 1 1 d . . .
Na1 Na 1.1601(3) 0.13997(16) 0.3700(3) 0.0555(10) Uani 1 1 d . . .
Na2 Na 0.8318(3) 0.32819(16) 0.1986(3) 0.0506(10) Uani 1 1 d . . .
O1 O 1.2248(7) 0.1152(3) 0.5953(6) 0.068(2) Uani 1 1 d . . .
O2 O 1.2526(6) 0.0566(3) 0.2952(7) 0.069(2) Uani 1 1 d . . .
O3 O 0.7714(7) 0.4281(3) 0.2652(8) 0.086(2) Uani 1 1 d . . .
O4 O 0.6842(6) 0.3282(3) 0.0028(7) 0.0671(19) Uani 1 1 d . . .
N1 N 1.0503(6) 0.2493(3) 0.3731(6) 0.0325(17) Uani 1 1 d . . .
N3 N 1.0659(6) 0.3339(3) 0.1677(6) 0.0331(17) Uani 1 1 d . . .
N2 N 0.9415(6) 0.2113(3) 0.1767(6) 0.0343(17) Uani 1 1 d . . .
N4 N 0.7832(6) 0.2418(3) 0.3563(6) 0.0408(18) Uani 1 1 d . . .
C1 C 1.0988(8) 0.2911(4) 0.4966(8) 0.042(2) Uani 1 1 d . . .
C2 C 1.0688(8) 0.2506(4) 0.6218(7) 0.053(3) Uani 1 1 d . . .
H2A H 0.9760 0.2304 0.6143 0.080 Uiso 1 1 calc R . .
H2B H 1.0882 0.2782 0.7032 0.080 Uiso 1 1 calc R . .
H2C H 1.1232 0.2172 0.6279 0.080 Uiso 1 1 calc R . .
C3 C 1.2470(7) 0.3111(4) 0.4956(8) 0.056(3) Uani 1 1 d . . .
H3A H 1.2879 0.2728 0.5008 0.084 Uiso 1 1 calc R . .
H3B H 1.2809 0.3397 0.5735 0.084 Uiso 1 1 calc R . .
H3C H 1.2674 0.3337 0.4118 0.084 Uiso 1 1 calc R . .
C4 C 1.0337(8) 0.3501(4) 0.5012(8) 0.054(3) Uani 1 1 d . . .
H4A H 1.0476 0.3746 0.4183 0.081 Uiso 1 1 calc R . .
H4B H 1.0722 0.3773 0.5799 0.081 Uiso 1 1 calc R . .
H4C H 0.9394 0.3365 0.5082 0.081 Uiso 1 1 calc R . .
C5 C 1.1495(8) 0.3847(4) 0.0943(8) 0.042(2) Uani 1 1 d . . .
C6 C 1.1580(9) 0.3624(4) -0.0522(9) 0.072(3) Uani 1 1 d . . .
H6A H 1.1807 0.3194 -0.0521 0.107 Uiso 1 1 calc R . .
H6B H 1.2256 0.3925 -0.0938 0.107 Uiso 1 1 calc R . .
H6C H 1.0731 0.3612 -0.1041 0.107 Uiso 1 1 calc R . .
C7 C 1.0820(8) 0.4429(4) 0.0918(10) 0.073(3) Uani 1 1 d . . .
H7A H 0.9992 0.4331 0.0345 0.109 Uiso 1 1 calc R . .
H7B H 1.1391 0.4796 0.0552 0.109 Uiso 1 1 calc R . .
H7C H 1.0642 0.4534 0.1839 0.109 Uiso 1 1 calc R . .
C8 C 1.2877(7) 0.4032(4) 0.1628(9) 0.060(3) Uani 1 1 d . . .
H8A H 1.2836 0.4197 0.2546 0.091 Uiso 1 1 calc R . .
H8B H 1.3385 0.4366 0.1107 0.091 Uiso 1 1 calc R . .
H8C H 1.3301 0.3654 0.1672 0.091 Uiso 1 1 calc R . .
C9 C 0.8890(8) 0.1699(4) 0.0546(8) 0.043(2) Uani 1 1 d . . .
C10 C 0.9206(9) 0.2095(4) -0.0707(8) 0.063(3) Uani 1 1 d . . .
H10A H 0.8843 0.2491 -0.0665 0.095 Uiso 1 1 calc R . .
H10B H 0.8818 0.1845 -0.1521 0.095 Uiso 1 1 calc R . .
H10C H 1.0159 0.2204 -0.0737 0.095 Uiso 1 1 calc R . .
C11 C 0.7424(8) 0.1499(4) 0.0562(9) 0.068(3) Uani 1 1 d . . .
H11A H 0.7231 0.1206 0.1311 0.102 Uiso 1 1 calc R . .
H11B H 0.7062 0.1280 -0.0296 0.102 Uiso 1 1 calc R . .
H11C H 0.7028 0.1880 0.0682 0.102 Uiso 1 1 calc R . .
C12 C 0.9566(9) 0.1109(4) 0.0523(9) 0.068(3) Uani 1 1 d . . .
H12A H 1.0504 0.1249 0.0431 0.102 Uiso 1 1 calc R . .
H12B H 0.9176 0.0825 -0.0245 0.102 Uiso 1 1 calc R . .
H12C H 0.9449 0.0875 0.1367 0.102 Uiso 1 1 calc R . .
C13 C 0.6655(8) 0.2266(5) 0.4329(9) 0.052(3) Uani 1 1 d . . .
C14 C 0.6993(8) 0.2147(5) 0.5833(8) 0.072(3) Uani 1 1 d . . .
H14A H 0.7500 0.1799 0.5916 0.108 Uiso 1 1 calc R . .
H14B H 0.6182 0.2027 0.6280 0.108 Uiso 1 1 calc R . .
H14C H 0.7512 0.2540 0.6261 0.108 Uiso 1 1 calc R . .
C15 C 0.5978(9) 0.2853(5) 0.4207(11) 0.087(4) Uani 1 1 d . . .
H15A H 0.6571 0.3231 0.4613 0.130 Uiso 1 1 calc R . .
H15B H 0.5176 0.2774 0.4681 0.130 Uiso 1 1 calc R . .
H15C H 0.5754 0.2930 0.3250 0.130 Uiso 1 1 calc R . .
C16 C 0.5719(9) 0.1693(5) 0.3709(10) 0.083(4) Uani 1 1 d . . .
H16A H 0.5513 0.1767 0.2747 0.124 Uiso 1 1 calc R . .
H16B H 0.4910 0.1629 0.4171 0.124 Uiso 1 1 calc R . .
H16C H 0.6124 0.1309 0.3805 0.124 Uiso 1 1 calc R . .
C17 C 1.3371(10) 0.1397(6) 0.6840(11) 0.100(4) Uani 1 1 d . . .
H17A H 1.3532 0.1873 0.6850 0.121 Uiso 1 1 calc R . .
H17B H 1.4153 0.1251 0.6532 0.121 Uiso 1 1 calc R . .
C18 C 1.3125(11) 0.1158(6) 0.8211(10) 0.102(4) Uani 1 1 d . . .
H18A H 1.3925 0.1043 0.8684 0.123 Uiso 1 1 calc R . .
H18B H 1.2810 0.1480 0.8764 0.123 Uiso 1 1 calc R . .
C19 C 1.2101(12) 0.0586(6) 0.7925(11) 0.103(4) Uani 1 1 d . . .
H19A H 1.2499 0.0200 0.7795 0.123 Uiso 1 1 calc R . .
H19B H 1.1530 0.0510 0.8679 0.123 Uiso 1 1 calc R . .
C20 C 1.1353(10) 0.0722(5) 0.6691(11) 0.079(3) Uani 1 1 d . . .
H20A H 1.1010 0.0321 0.6158 0.095 Uiso 1 1 calc R . .
H20B H 1.0605 0.0925 0.6905 0.095 Uiso 1 1 calc R . .
C21 C 1.2824(14) 0.0031(6) 0.3653(12) 0.129(6) Uani 1 1 d . . .
H21A H 1.2011 -0.0287 0.3727 0.155 Uiso 1 1 calc R . .
H21B H 1.3210 0.0164 0.4579 0.155 Uiso 1 1 calc R . .
C22 C 1.3722(15) -0.0252(6) 0.2962(13) 0.121(5) Uani 1 1 d . . .
H22A H 1.3335 -0.0700 0.2684 0.145 Uiso 1 1 calc R . .
H22B H 1.4537 -0.0254 0.3552 0.145 Uiso 1 1 calc R . .
C23 C 1.4007(13) 0.0145(6) 0.1757(13) 0.108(5) Uani 1 1 d . . .
H23A H 1.4887 0.0418 0.1884 0.130 Uiso 1 1 calc R . .
H23B H 1.3955 -0.0128 0.0933 0.130 Uiso 1 1 calc R . .
C24 C 1.2976(13) 0.0534(5) 0.1671(11) 0.096(4) Uani 1 1 d . . .
H24A H 1.3327 0.0972 0.1369 0.115 Uiso 1 1 calc R . .
H24B H 1.2247 0.0338 0.1010 0.115 Uiso 1 1 calc R . .
C25 C 0.8295(12) 0.4699(6) 0.3706(17) 0.133(6) Uani 1 1 d . . .
H25A H 0.8793 0.5097 0.3345 0.159 Uiso 1 1 calc R . .
H25B H 0.8906 0.4494 0.4302 0.159 Uiso 1 1 calc R . .
C26 C 0.7225(16) 0.4851(6) 0.4466(14) 0.127(5) Uani 1 1 d . . .
H26A H 0.7038 0.4544 0.5204 0.152 Uiso 1 1 calc R . .
H26B H 0.7447 0.5293 0.4856 0.152 Uiso 1 1 calc R . .
C27 C 0.6144(14) 0.4791(7) 0.3474(16) 0.169(8) Uani 1 1 d . . .
H27A H 0.5964 0.5222 0.3227 0.202 Uiso 1 1 calc R . .
H27B H 0.5351 0.4542 0.3834 0.202 Uiso 1 1 calc R . .
C28 C 0.6478(11) 0.4455(6) 0.2266(12) 0.097(4) Uani 1 1 d . . .
H28A H 0.5806 0.4069 0.2022 0.116 Uiso 1 1 calc R . .
H28B H 0.6539 0.4744 0.1482 0.116 Uiso 1 1 calc R . .
C29 C 0.7159(13) 0.3667(6) -0.1119(12) 0.103(4) Uani 1 1 d . . .
H29A H 0.7721 0.3467 -0.1688 0.124 Uiso 1 1 calc R . .
H29B H 0.7625 0.4103 -0.0829 0.124 Uiso 1 1 calc R . .
C30 C 0.5879(17) 0.3698(8) -0.1872(16) 0.155(7) Uani 1 1 d . . .
H30A H 0.5628 0.4121 -0.1712 0.186 Uiso 1 1 calc R . .
H30B H 0.5935 0.3641 -0.2855 0.186 Uiso 1 1 calc R . .
C31 C 0.4961(14) 0.3209(11) -0.1405(16) 0.175(9) Uani 1 1 d . . .
H31A H 0.4640 0.2883 -0.2132 0.210 Uiso 1 1 calc R . .
H31B H 0.4204 0.3384 -0.1117 0.210 Uiso 1 1 calc R . .
C32 C 0.5578(11) 0.2929(6) -0.0301(14) 0.099(4) Uani 1 1 d . . .
H32A H 0.5054 0.2924 0.0489 0.119 Uiso 1 1 calc R . .
H32B H 0.5633 0.2480 -0.0537 0.119 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
S S 0.1246 0.1234 '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
_geom_angle_publ_flag
P1 S1 Na1 82.42(11) . . ?
P2 S2 Na1 82.96(12) . . ?
N3 P1 N2 110.8(3) . . ?
N3 P1 N1 112.0(3) . . ?
N2 P1 N1 81.8(3) . . ?
N3 P1 S1 121.0(2) . . ?
N2 P1 S1 113.7(2) . . ?
N1 P1 S1 110.9(2) . . ?
N3 P1 P2 114.0(2) . . ?
N2 P1 P2 40.9(2) . . ?
N1 P1 P2 41.4(2) . . ?
S1 P1 P2 124.98(12) . . ?
N3 P1 Na2 50.2(2) . . ?
N2 P1 Na2 66.2(2) . . ?
N1 P1 Na2 83.7(2) . . ?
S1 P1 Na2 165.32(14) . . ?
P2 P1 Na2 65.44(9) . . ?
N3 P1 Na1 164.7(3) . . ?
N2 P1 Na1 79.8(2) . . ?
N1 P1 Na1 57.3(2) . . ?
S1 P1 Na1 60.44(10) . . ?
P2 P1 Na1 66.36(9) . . ?
Na2 P1 Na1 131.67(11) . . ?
N4 P2 N2 109.7(3) . . ?
N4 P2 N1 113.4(3) . . ?
N2 P2 N1 81.7(3) . . ?
N4 P2 S2 121.0(3) . . ?
N2 P2 S2 113.4(3) . . ?
N1 P2 S2 111.1(2) . . ?
N4 P2 P1 114.2(2) . . ?
N2 P2 P1 40.9(2) . . ?
N1 P2 P1 41.2(2) . . ?
S2 P2 P1 124.83(13) . . ?
N4 P2 Na2 49.3(2) . . ?
N2 P2 Na2 66.7(2) . . ?
N1 P2 Na2 84.1(2) . . ?
S2 P2 Na2 164.72(14) . . ?
P1 P2 Na2 66.08(9) . . ?
N4 P2 Na1 166.4(3) . . ?
N2 P2 Na1 80.4(2) . . ?
N1 P2 Na1 57.8(2) . . ?
S2 P2 Na1 59.66(11) . . ?
P1 P2 Na1 67.10(9) . . ?
Na2 P2 Na1 133.06(11) . . ?
O2 Na1 O1 89.0(3) . . ?
O2 Na1 N1 161.6(2) . . ?
O1 Na1 N1 108.9(2) . . ?
O2 Na1 S2 118.1(2) . . ?
O1 Na1 S2 93.98(19) . . ?
N1 Na1 S2 66.49(14) . . ?
O2 Na1 S1 97.8(2) . . ?
O1 Na1 S1 139.5(2) . . ?
N1 Na1 S1 65.81(14) . . ?
S2 Na1 S1 116.84(13) . . ?
O2 Na1 P2 143.4(2) . . ?
O1 Na1 P2 114.22(19) . . ?
N1 Na1 P2 31.87(13) . . ?
S2 Na1 P2 37.37(7) . . ?
S1 Na1 P2 82.85(10) . . ?
O2 Na1 P1 130.1(2) . . ?
O1 Na1 P1 137.0(2) . . ?
N1 Na1 P1 31.58(13) . . ?
S2 Na1 P1 83.03(10) . . ?
S1 Na1 P1 37.14(7) . . ?
P2 Na1 P1 46.53(7) . . ?
O4 Na2 O3 87.3(3) . . ?
O4 Na2 N4 117.6(3) . . ?
O3 Na2 N4 114.5(3) . . ?
O4 Na2 N3 118.1(3) . . ?
O3 Na2 N3 115.2(2) . . ?
N4 Na2 N3 104.2(2) . . ?
O4 Na2 N2 105.7(2) . . ?
O3 Na2 N2 166.9(3) . . ?
N4 Na2 N2 59.3(2) . . ?
N3 Na2 N2 59.28(19) . . ?
O4 Na2 P2 124.3(2) . . ?
O3 Na2 P2 137.7(2) . . ?
N4 Na2 P2 29.32(15) . . ?
N3 Na2 P2 76.78(16) . . ?
N2 Na2 P2 32.50(12) . . ?
O4 Na2 P1 124.0(2) . . ?
O3 Na2 P1 138.5(2) . . ?
N4 Na2 P1 77.20(17) . . ?
N3 Na2 P1 29.10(14) . . ?
N2 Na2 P1 32.38(12) . . ?
P2 Na2 P1 48.48(8) . . ?
C17 O1 C20 108.4(7) . . ?
C17 O1 Na1 132.2(6) . . ?
C20 O1 Na1 119.2(6) . . ?
C24 O2 C21 106.8(8) . . ?
C24 O2 Na1 123.9(6) . . ?
C21 O2 Na1 129.2(7) . . ?
C25 O3 C28 106.3(8) . . ?
C25 O3 Na2 127.8(7) . . ?
C28 O3 Na2 123.9(7) . . ?
C32 O4 C29 106.0(8) . . ?
C32 O4 Na2 131.1(7) . . ?
C29 O4 Na2 122.9(7) . . ?
C1 N1 P1 127.5(5) . . ?
C1 N1 P2 127.0(5) . . ?
P1 N1 P2 97.4(3) . . ?
C1 N1 Na1 112.4(5) . . ?
P1 N1 Na1 91.1(3) . . ?
P2 N1 Na1 90.3(3) . . ?
C5 N3 P1 131.5(5) . . ?
C5 N3 Na2 126.0(5) . . ?
P1 N3 Na2 100.7(3) . . ?
C9 N2 P1 131.1(5) . . ?
C9 N2 P2 128.8(5) . . ?
P1 N2 P2 98.2(3) . . ?
C9 N2 Na2 114.8(5) . . ?
P1 N2 Na2 81.4(2) . . ?
P2 N2 Na2 80.8(2) . . ?
C13 N4 P2 131.0(6) . . ?
C13 N4 Na2 127.2(5) . . ?
P2 N4 Na2 101.4(3) . . ?
N1 C1 C4 112.3(7) . . ?
N1 C1 C3 107.7(6) . . ?
C4 C1 C3 110.6(7) . . ?
N1 C1 C2 107.9(6) . . ?
C4 C1 C2 109.4(7) . . ?
C3 C1 C2 108.9(7) . . ?
N3 C5 C8 112.7(6) . . ?
N3 C5 C7 106.4(6) . . ?
C8 C5 C7 109.5(7) . . ?
N3 C5 C6 110.5(6) . . ?
C8 C5 C6 108.8(7) . . ?
C7 C5 C6 108.9(7) . . ?
N2 C9 C11 109.3(7) . . ?
N2 C9 C10 107.8(6) . . ?
C11 C9 C10 109.9(7) . . ?
N2 C9 C12 110.0(7) . . ?
C11 C9 C12 111.0(7) . . ?
C10 C9 C12 108.7(7) . . ?
N4 C13 C16 110.9(7) . . ?
N4 C13 C14 112.8(7) . . ?
C16 C13 C14 109.6(8) . . ?
N4 C13 C15 106.0(7) . . ?
C16 C13 C15 108.3(8) . . ?
C14 C13 C15 109.0(8) . . ?
O1 C17 C18 108.0(8) . . ?
C19 C18 C17 102.5(10) . . ?
C20 C19 C18 105.7(9) . . ?
O1 C20 C19 105.8(8) . . ?
O2 C21 C22 109.8(9) . . ?
C21 C22 C23 106.5(10) . . ?
C24 C23 C22 103.2(10) . . ?
O2 C24 C23 108.2(9) . . ?
O3 C25 C26 106.8(10) . . ?
C27 C26 C25 103.6(12) . . ?
C26 C27 C28 108.1(11) . . ?
O3 C28 C27 105.1(10) . . ?
O4 C29 C30 105.1(10) . . ?
C31 C30 C29 107.3(14) . . ?
C30 C31 C32 107.7(13) . . ?
O4 C32 C31 109.9(11) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
S1 P1 1.994(3) . ?
S1 Na1 2.873(4) . ?
S2 P2 1.991(3) . ?
S2 Na1 2.832(4) . ?
P1 N3 1.559(6) . ?
P1 N2 1.706(6) . ?
P1 N1 1.715(6) . ?
P1 P2 2.579(3) . ?
P1 Na2 3.149(4) . ?
P1 Na1 3.274(4) . ?
P2 N4 1.565(6) . ?
P2 N2 1.705(6) . ?
P2 N1 1.719(6) . ?
P2 Na2 3.133(4) . ?
P2 Na1 3.256(4) . ?
Na1 O2 2.301(7) . ?
Na1 O1 2.369(7) . ?
Na1 N1 2.756(7) . ?
Na2 O4 2.374(7) . ?
Na2 O3 2.413(8) . ?
Na2 N4 2.423(7) . ?
Na2 N3 2.461(7) . ?
Na2 N2 2.916(7) . ?
O1 C17 1.419(11) . ?
O1 C20 1.431(10) . ?
O2 C24 1.395(11) . ?
O2 C21 1.401(11) . ?
O3 C25 1.391(12) . ?
O3 C28 1.423(10) . ?
O4 C32 1.402(11) . ?
O4 C29 1.430(10) . ?
N1 C1 1.505(9) . ?
N3 C5 1.490(8) . ?
N2 C9 1.496(9) . ?
N4 C13 1.482(9) . ?
C1 C4 1.524(10) . ?
C1 C3 1.525(10) . ?
C1 C2 1.535(10) . ?
C5 C8 1.522(10) . ?
C5 C7 1.520(10) . ?
C5 C6 1.540(11) . ?
C9 C11 1.509(10) . ?
C9 C10 1.528(10) . ?
C9 C12 1.539(11) . ?
C13 C16 1.505(11) . ?
C13 C14 1.536(11) . ?
C13 C15 1.534(12) . ?
C17 C18 1.480(12) . ?
C18 C19 1.471(12) . ?
C19 C20 1.453(12) . ?
C21 C22 1.415(13) . ?
C22 C23 1.483(14) . ?
C23 C24 1.462(14) . ?
C25 C26 1.474(15) . ?
C26 C27 1.419(16) . ?
C27 C28 1.487(14) . ?
C29 C30 1.484(15) . ?
C30 C31 1.386(18) . ?
C31 C32 1.410(16) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Na1 S1 P1 N3 162.4(3) . . . . ?
Na1 S1 P1 N2 -61.9(2) . . . . ?
Na1 S1 P1 N1 28.1(3) . . . . ?
Na1 S1 P1 P2 -16.40(16) . . . . ?
Na1 S1 P1 Na2 -148.4(5) . . . . ?
Na1 S2 P2 N4 -164.2(3) . . . . ?
Na1 S2 P2 N2 62.4(3) . . . . ?
Na1 S2 P2 N1 -27.5(3) . . . . ?
Na1 S2 P2 P1 17.01(16) . . . . ?
Na1 S2 P2 Na2 149.3(5) . . . . ?
N3 P1 P2 N4 1.9(4) . . . . ?
N2 P1 P2 N4 -92.7(4) . . . . ?
N1 P1 P2 N4 98.5(4) . . . . ?
S1 P1 P2 N4 -179.2(3) . . . . ?
Na2 P1 P2 N4 -11.2(3) . . . . ?
Na1 P1 P2 N4 165.2(3) . . . . ?
N3 P1 P2 N2 94.5(4) . . . . ?
N1 P1 P2 N2 -168.9(5) . . . . ?
S1 P1 P2 N2 -86.6(4) . . . . ?
Na2 P1 P2 N2 81.5(3) . . . . ?
Na1 P1 P2 N2 -102.1(3) . . . . ?
N3 P1 P2 N1 -96.6(4) . . . . ?
N2 P1 P2 N1 168.9(5) . . . . ?
S1 P1 P2 N1 82.3(3) . . . . ?
Na2 P1 P2 N1 -109.7(3) . . . . ?
Na1 P1 P2 N1 66.7(3) . . . . ?
N3 P1 P2 S2 -179.2(3) . . . . ?
N2 P1 P2 S2 86.2(4) . . . . ?
N1 P1 P2 S2 -82.6(3) . . . . ?
S1 P1 P2 S2 -0.4(2) . . . . ?
Na2 P1 P2 S2 167.69(18) . . . . ?
Na1 P1 P2 S2 -15.90(15) . . . . ?
N3 P1 P2 Na2 13.1(3) . . . . ?
N2 P1 P2 Na2 -81.5(3) . . . . ?
N1 P1 P2 Na2 109.7(3) . . . . ?
S1 P1 P2 Na2 -168.04(18) . . . . ?
Na1 P1 P2 Na2 176.41(13) . . . . ?
N3 P1 P2 Na1 -163.3(3) . . . . ?
N2 P1 P2 Na1 102.1(3) . . . . ?
N1 P1 P2 Na1 -66.7(3) . . . . ?
S1 P1 P2 Na1 15.55(15) . . . . ?
Na2 P1 P2 Na1 -176.41(13) . . . . ?
P2 S2 Na1 O2 -143.1(2) . . . . ?
P2 S2 Na1 O1 125.9(2) . . . . ?
P2 S2 Na1 N1 17.03(16) . . . . ?
P2 S2 Na1 S1 -26.83(17) . . . . ?
P2 S2 Na1 P1 -10.99(10) . . . . ?
P1 S1 Na1 O2 153.7(2) . . . . ?
P1 S1 Na1 O1 -108.7(3) . . . . ?
P1 S1 Na1 N1 -17.48(16) . . . . ?
P1 S1 Na1 S2 26.67(17) . . . . ?
P1 S1 Na1 P2 10.64(11) . . . . ?
N4 P2 Na1 O2 159.4(11) . . . . ?
N2 P2 Na1 O2 -61.9(4) . . . . ?
N1 P2 Na1 O2 -148.0(4) . . . . ?
S2 P2 Na1 O2 62.6(4) . . . . ?
P1 P2 Na1 O2 -102.3(4) . . . . ?
Na2 P2 Na1 O2 -106.8(4) . . . . ?
N4 P2 Na1 O1 34.4(11) . . . . ?
N2 P2 Na1 O1 173.2(3) . . . . ?
N1 P2 Na1 O1 87.0(3) . . . . ?
S2 P2 Na1 O1 -62.4(2) . . . . ?
P1 P2 Na1 O1 132.7(2) . . . . ?
Na2 P2 Na1 O1 128.2(2) . . . . ?
N4 P2 Na1 N1 -52.6(11) . . . . ?
N2 P2 Na1 N1 86.2(3) . . . . ?
S2 P2 Na1 N1 -149.4(3) . . . . ?
P1 P2 Na1 N1 45.7(2) . . . . ?
Na2 P2 Na1 N1 41.2(3) . . . . ?
N4 P2 Na1 S2 96.8(11) . . . . ?
N2 P2 Na1 S2 -124.4(3) . . . . ?
N1 P2 Na1 S2 149.4(3) . . . . ?
P1 P2 Na1 S2 -164.89(14) . . . . ?
Na2 P2 Na1 S2 -169.4(2) . . . . ?
N4 P2 Na1 S1 -107.1(11) . . . . ?
N2 P2 Na1 S1 31.6(2) . . . . ?
N1 P2 Na1 S1 -54.5(2) . . . . ?
S2 P2 Na1 S1 156.05(15) . . . . ?
P1 P2 Na1 S1 -8.84(9) . . . . ?
Na2 P2 Na1 S1 -13.34(19) . . . . ?
N4 P2 Na1 P1 -98.3(11) . . . . ?
N2 P2 Na1 P1 40.5(2) . . . . ?
N1 P2 Na1 P1 -45.7(2) . . . . ?
S2 P2 Na1 P1 164.89(14) . . . . ?
Na2 P2 Na1 P1 -4.50(16) . . . . ?
N3 P1 Na1 O2 -135.0(9) . . . . ?
N2 P1 Na1 O2 89.8(4) . . . . ?
N1 P1 Na1 O2 176.5(4) . . . . ?
S1 P1 Na1 O2 -35.0(3) . . . . ?
P2 P1 Na1 O2 130.4(3) . . . . ?
Na2 P1 Na1 O2 134.7(3) . . . . ?
N3 P1 Na1 O1 15.4(10) . . . . ?
N2 P1 Na1 O1 -119.7(4) . . . . ?
N1 P1 Na1 O1 -33.0(4) . . . . ?
S1 P1 Na1 O1 115.4(3) . . . . ?
P2 P1 Na1 O1 -79.2(3) . . . . ?
Na2 P1 Na1 O1 -74.8(3) . . . . ?
N3 P1 Na1 N1 48.4(9) . . . . ?
N2 P1 Na1 N1 -86.7(3) . . . . ?
S1 P1 Na1 N1 148.4(3) . . . . ?
P2 P1 Na1 N1 -46.2(2) . . . . ?
Na2 P1 Na1 N1 -41.8(3) . . . . ?
N3 P1 Na1 S2 103.8(9) . . . . ?
N2 P1 Na1 S2 -31.4(2) . . . . ?
N1 P1 Na1 S2 55.4(2) . . . . ?
S1 P1 Na1 S2 -156.20(15) . . . . ?
P2 P1 Na1 S2 9.17(9) . . . . ?
Na2 P1 Na1 S2 13.55(19) . . . . ?
N3 P1 Na1 S1 -100.0(9) . . . . ?
N2 P1 Na1 S1 124.8(3) . . . . ?
N1 P1 Na1 S1 -148.4(3) . . . . ?
P2 P1 Na1 S1 165.37(14) . . . . ?
Na2 P1 Na1 S1 169.8(2) . . . . ?
N3 P1 Na1 P2 94.6(9) . . . . ?
N2 P1 Na1 P2 -40.5(2) . . . . ?
N1 P1 Na1 P2 46.2(2) . . . . ?
S1 P1 Na1 P2 -165.37(14) . . . . ?
Na2 P1 Na1 P2 4.38(16) . . . . ?
N4 P2 Na2 O4 -86.0(4) . . . . ?
N2 P2 Na2 O4 62.7(3) . . . . ?
N1 P2 Na2 O4 146.1(3) . . . . ?
S2 P2 Na2 O4 -30.9(6) . . . . ?
P1 P2 Na2 O4 107.5(3) . . . . ?
Na1 P2 Na2 O4 112.0(3) . . . . ?
N4 P2 Na2 O3 45.7(5) . . . . ?
N2 P2 Na2 O3 -165.6(4) . . . . ?
N1 P2 Na2 O3 -82.2(4) . . . . ?
S2 P2 Na2 O3 100.8(6) . . . . ?
P1 P2 Na2 O3 -120.8(3) . . . . ?
Na1 P2 Na2 O3 -116.3(3) . . . . ?
N2 P2 Na2 N4 148.7(4) . . . . ?
N1 P2 Na2 N4 -127.9(4) . . . . ?
S2 P2 Na2 N4 55.1(6) . . . . ?
P1 P2 Na2 N4 -166.5(3) . . . . ?
Na1 P2 Na2 N4 -161.9(4) . . . . ?
N4 P2 Na2 N3 158.7(4) . . . . ?
N2 P2 Na2 N3 -52.5(3) . . . . ?
N1 P2 Na2 N3 30.9(3) . . . . ?
S2 P2 Na2 N3 -146.1(5) . . . . ?
P1 P2 Na2 N3 -7.74(16) . . . . ?
Na1 P2 Na2 N3 -3.2(2) . . . . ?
N4 P2 Na2 N2 -148.7(4) . . . . ?
N1 P2 Na2 N2 83.4(3) . . . . ?
S2 P2 Na2 N2 -93.6(6) . . . . ?
P1 P2 Na2 N2 44.8(2) . . . . ?
Na1 P2 Na2 N2 49.3(3) . . . . ?
N4 P2 Na2 P1 166.5(3) . . . . ?
N2 P2 Na2 P1 -44.8(2) . . . . ?
N1 P2 Na2 P1 38.6(2) . . . . ?
S2 P2 Na2 P1 -138.4(6) . . . . ?
Na1 P2 Na2 P1 4.53(16) . . . . ?
N3 P1 Na2 O4 87.6(4) . . . . ?
N2 P1 Na2 O4 -63.1(3) . . . . ?
N1 P1 Na2 O4 -146.8(3) . . . . ?
S1 P1 Na2 O4 29.9(7) . . . . ?
P2 P1 Na2 O4 -108.0(2) . . . . ?
Na1 P1 Na2 O4 -112.5(3) . . . . ?
N3 P1 Na2 O3 -45.0(4) . . . . ?
N2 P1 Na2 O3 164.4(4) . . . . ?
N1 P1 Na2 O3 80.6(4) . . . . ?
S1 P1 Na2 O3 -102.7(6) . . . . ?
P2 P1 Na2 O3 119.4(3) . . . . ?
Na1 P1 Na2 O3 115.0(3) . . . . ?
N3 P1 Na2 N4 -157.6(4) . . . . ?
N2 P1 Na2 N4 51.7(3) . . . . ?
N1 P1 Na2 N4 -32.0(3) . . . . ?
S1 P1 Na2 N4 144.7(6) . . . . ?
P2 P1 Na2 N4 6.74(17) . . . . ?
Na1 P1 Na2 N4 2.3(2) . . . . ?
N2 P1 Na2 N3 -150.7(4) . . . . ?
N1 P1 Na2 N3 125.6(4) . . . . ?
S1 P1 Na2 N3 -57.7(6) . . . . ?
P2 P1 Na2 N3 164.4(3) . . . . ?
Na1 P1 Na2 N3 160.0(3) . . . . ?
N3 P1 Na2 N2 150.7(4) . . . . ?
N1 P1 Na2 N2 -83.8(3) . . . . ?
S1 P1 Na2 N2 93.0(6) . . . . ?
P2 P1 Na2 N2 -45.0(2) . . . . ?
Na1 P1 Na2 N2 -49.4(2) . . . . ?
N3 P1 Na2 P2 -164.4(3) . . . . ?
N2 P1 Na2 P2 45.0(2) . . . . ?
N1 P1 Na2 P2 -38.8(2) . . . . ?
S1 P1 Na2 P2 138.0(6) . . . . ?
Na1 P1 Na2 P2 -4.41(16) . . . . ?
O2 Na1 O1 C17 94.5(9) . . . . ?
N1 Na1 O1 C17 -80.9(9) . . . . ?
S2 Na1 O1 C17 -147.4(9) . . . . ?
S1 Na1 O1 C17 -6.3(10) . . . . ?
P2 Na1 O1 C17 -114.7(9) . . . . ?
P1 Na1 O1 C17 -63.3(10) . . . . ?
O2 Na1 O1 C20 -92.3(7) . . . . ?
N1 Na1 O1 C20 92.3(7) . . . . ?
S2 Na1 O1 C20 25.8(7) . . . . ?
S1 Na1 O1 C20 166.9(6) . . . . ?
P2 Na1 O1 C20 58.5(7) . . . . ?
P1 Na1 O1 C20 109.9(7) . . . . ?
O1 Na1 O2 C24 -155.1(8) . . . . ?
N1 Na1 O2 C24 11.0(14) . . . . ?
S2 Na1 O2 C24 111.0(8) . . . . ?
S1 Na1 O2 C24 -15.2(8) . . . . ?
P2 Na1 O2 C24 73.3(9) . . . . ?
P1 Na1 O2 C24 5.3(9) . . . . ?
O1 Na1 O2 C21 20.7(10) . . . . ?
N1 Na1 O2 C21 -173.2(10) . . . . ?
S2 Na1 O2 C21 -73.3(10) . . . . ?
S1 Na1 O2 C21 160.6(10) . . . . ?
P2 Na1 O2 C21 -110.9(10) . . . . ?
P1 Na1 O2 C21 -178.9(9) . . . . ?
O4 Na2 O3 C25 -170.5(10) . . . . ?
N4 Na2 O3 C25 70.3(11) . . . . ?
N3 Na2 O3 C25 -50.5(11) . . . . ?
N2 Na2 O3 C25 11.6(18) . . . . ?
P2 Na2 O3 C25 47.7(11) . . . . ?
P1 Na2 O3 C25 -28.1(12) . . . . ?
O4 Na2 O3 C28 27.7(8) . . . . ?
N4 Na2 O3 C28 -91.5(8) . . . . ?
N3 Na2 O3 C28 147.7(7) . . . . ?
N2 Na2 O3 C28 -150.2(10) . . . . ?
P2 Na2 O3 C28 -114.1(8) . . . . ?
P1 Na2 O3 C28 170.1(7) . . . . ?
O3 Na2 O4 C32 -103.5(9) . . . . ?
N4 Na2 O4 C32 12.9(9) . . . . ?
N3 Na2 O4 C32 139.2(8) . . . . ?
N2 Na2 O4 C32 76.1(9) . . . . ?
P2 Na2 O4 C32 46.3(9) . . . . ?
P1 Na2 O4 C32 105.8(8) . . . . ?
O3 Na2 O4 C29 78.5(8) . . . . ?
N4 Na2 O4 C29 -165.1(7) . . . . ?
N3 Na2 O4 C29 -38.8(8) . . . . ?
N2 Na2 O4 C29 -102.0(8) . . . . ?
P2 Na2 O4 C29 -131.7(7) . . . . ?
P1 Na2 O4 C29 -72.2(8) . . . . ?
N3 P1 N1 C1 -48.0(7) . . . . ?
N2 P1 N1 C1 -157.2(7) . . . . ?
S1 P1 N1 C1 90.5(6) . . . . ?
P2 P1 N1 C1 -149.9(8) . . . . ?
Na2 P1 N1 C1 -90.4(6) . . . . ?
Na1 P1 N1 C1 119.7(7) . . . . ?
N3 P1 N1 P2 101.8(4) . . . . ?
N2 P1 N1 P2 -7.3(3) . . . . ?
S1 P1 N1 P2 -119.6(2) . . . . ?
Na2 P1 N1 P2 59.5(2) . . . . ?
Na1 P1 N1 P2 -90.4(3) . . . . ?
N3 P1 N1 Na1 -167.7(3) . . . . ?
N2 P1 N1 Na1 83.1(3) . . . . ?
S1 P1 N1 Na1 -29.2(2) . . . . ?
P2 P1 N1 Na1 90.4(3) . . . . ?
Na2 P1 N1 Na1 149.94(17) . . . . ?
N4 P2 N1 C1 49.5(7) . . . . ?
N2 P2 N1 C1 157.4(6) . . . . ?
S2 P2 N1 C1 -90.7(6) . . . . ?
P1 P2 N1 C1 150.1(8) . . . . ?
Na2 P2 N1 C1 90.1(6) . . . . ?
Na1 P2 N1 C1 -118.8(7) . . . . ?
N4 P2 N1 P1 -100.6(4) . . . . ?
N2 P2 N1 P1 7.3(3) . . . . ?
S2 P2 N1 P1 119.2(2) . . . . ?
Na2 P2 N1 P1 -59.9(2) . . . . ?
Na1 P2 N1 P1 91.2(3) . . . . ?
N4 P2 N1 Na1 168.2(3) . . . . ?
N2 P2 N1 Na1 -83.8(3) . . . . ?
S2 P2 N1 Na1 28.1(2) . . . . ?
P1 P2 N1 Na1 -91.2(3) . . . . ?
Na2 P2 N1 Na1 -151.07(17) . . . . ?
O2 Na1 N1 C1 -140.2(8) . . . . ?
O1 Na1 N1 C1 25.1(5) . . . . ?
S2 Na1 N1 C1 111.1(4) . . . . ?
S1 Na1 N1 C1 -111.5(4) . . . . ?
P2 Na1 N1 C1 130.8(5) . . . . ?
P1 Na1 N1 C1 -131.8(5) . . . . ?
O2 Na1 N1 P1 -8.4(9) . . . . ?
O1 Na1 N1 P1 156.9(3) . . . . ?
S2 Na1 N1 P1 -117.1(3) . . . . ?
S1 Na1 N1 P1 20.27(18) . . . . ?
P2 Na1 N1 P1 -97.4(3) . . . . ?
O2 Na1 N1 P2 89.0(8) . . . . ?
O1 Na1 N1 P2 -105.7(3) . . . . ?
S2 Na1 N1 P2 -19.68(17) . . . . ?
S1 Na1 N1 P2 117.6(3) . . . . ?
P1 Na1 N1 P2 97.4(3) . . . . ?
N2 P1 N3 C5 -136.2(7) . . . . ?
N1 P1 N3 C5 134.5(7) . . . . ?
S1 P1 N3 C5 0.6(8) . . . . ?
P2 P1 N3 C5 179.6(6) . . . . ?
Na2 P1 N3 C5 -164.9(8) . . . . ?
Na1 P1 N3 C5 91.7(11) . . . . ?
N2 P1 N3 Na2 28.7(4) . . . . ?
N1 P1 N3 Na2 -60.6(4) . . . . ?
S1 P1 N3 Na2 165.52(18) . . . . ?
P2 P1 N3 Na2 -15.6(3) . . . . ?
Na1 P1 N3 Na2 -103.4(9) . . . . ?
O4 Na2 N3 C5 56.0(6) . . . . ?
O3 Na2 N3 C5 -45.2(7) . . . . ?
N4 Na2 N3 C5 -171.5(6) . . . . ?
N2 Na2 N3 C5 148.2(6) . . . . ?
P2 Na2 N3 C5 178.0(6) . . . . ?
P1 Na2 N3 C5 166.0(8) . . . . ?
O4 Na2 N3 P1 -110.0(3) . . . . ?
O3 Na2 N3 P1 148.8(3) . . . . ?
N4 Na2 N3 P1 22.5(4) . . . . ?
N2 Na2 N3 P1 -17.8(2) . . . . ?
P2 Na2 N3 P1 12.0(2) . . . . ?
N3 P1 N2 C9 91.8(7) . . . . ?
N1 P1 N2 C9 -157.8(7) . . . . ?
S1 P1 N2 C9 -48.4(7) . . . . ?
P2 P1 N2 C9 -165.2(8) . . . . ?
Na2 P1 N2 C9 115.5(7) . . . . ?
Na1 P1 N2 C9 -99.7(7) . . . . ?
N3 P1 N2 P2 -103.0(3) . . . . ?
N1 P1 N2 P2 7.4(3) . . . . ?
S1 P1 N2 P2 116.7(3) . . . . ?
Na2 P1 N2 P2 -79.3(3) . . . . ?
Na1 P1 N2 P2 65.5(2) . . . . ?
N3 P1 N2 Na2 -23.7(3) . . . . ?
N1 P1 N2 Na2 86.7(2) . . . . ?
S1 P1 N2 Na2 -163.96(15) . . . . ?
P2 P1 N2 Na2 79.3(3) . . . . ?
Na1 P1 N2 Na2 144.82(15) . . . . ?
N4 P2 N2 C9 -89.8(7) . . . . ?
N1 P2 N2 C9 158.3(7) . . . . ?
S2 P2 N2 C9 48.8(7) . . . . ?
P1 P2 N2 C9 165.7(8) . . . . ?
Na2 P2 N2 C9 -114.5(7) . . . . ?
Na1 P2 N2 C9 99.7(7) . . . . ?
N4 P2 N2 P1 104.5(4) . . . . ?
N1 P2 N2 P1 -7.4(3) . . . . ?
S2 P2 N2 P1 -116.8(3) . . . . ?
Na2 P2 N2 P1 79.8(3) . . . . ?
Na1 P2 N2 P1 -66.0(2) . . . . ?
N4 P2 N2 Na2 24.7(3) . . . . ?
N1 P2 N2 Na2 -87.2(2) . . . . ?
S2 P2 N2 Na2 163.36(16) . . . . ?
P1 P2 N2 Na2 -79.8(3) . . . . ?
Na1 P2 N2 Na2 -145.79(15) . . . . ?
O4 Na2 N2 C9 -1.6(5) . . . . ?
O3 Na2 N2 C9 176.3(10) . . . . ?
N4 Na2 N2 C9 111.5(5) . . . . ?
N3 Na2 N2 C9 -115.3(5) . . . . ?
P2 Na2 N2 C9 128.7(5) . . . . ?
P1 Na2 N2 C9 -131.4(6) . . . . ?
O4 Na2 N2 P1 129.8(3) . . . . ?
O3 Na2 N2 P1 -52.3(11) . . . . ?
N4 Na2 N2 P1 -117.1(3) . . . . ?
N3 Na2 N2 P1 16.1(2) . . . . ?
P2 Na2 N2 P1 -99.9(3) . . . . ?
O4 Na2 N2 P2 -130.3(3) . . . . ?
O3 Na2 N2 P2 47.6(11) . . . . ?
N4 Na2 N2 P2 -17.2(2) . . . . ?
N3 Na2 N2 P2 116.0(3) . . . . ?
P1 Na2 N2 P2 99.9(3) . . . . ?
N2 P2 N4 C13 141.9(7) . . . . ?
N1 P2 N4 C13 -128.8(7) . . . . ?
S2 P2 N4 C13 7.0(8) . . . . ?
P1 P2 N4 C13 -174.1(6) . . . . ?
Na2 P2 N4 C13 172.4(9) . . . . ?
Na1 P2 N4 C13 -81.7(13) . . . . ?
N2 P2 N4 Na2 -30.4(4) . . . . ?
N1 P2 N4 Na2 58.8(4) . . . . ?
S2 P2 N4 Na2 -165.39(17) . . . . ?
P1 P2 N4 Na2 13.5(3) . . . . ?
Na1 P2 N4 Na2 105.9(10) . . . . ?
O4 Na2 N4 C13 -61.3(7) . . . . ?
O3 Na2 N4 C13 39.1(7) . . . . ?
N3 Na2 N4 C13 165.9(6) . . . . ?
N2 Na2 N4 C13 -153.9(7) . . . . ?
P2 Na2 N4 C13 -172.8(8) . . . . ?
P1 Na2 N4 C13 176.9(6) . . . . ?
O4 Na2 N4 P2 111.5(3) . . . . ?
O3 Na2 N4 P2 -148.1(3) . . . . ?
N3 Na2 N4 P2 -21.3(4) . . . . ?
N2 Na2 N4 P2 18.9(3) . . . . ?
P1 Na2 N4 P2 -10.3(3) . . . . ?
P1 N1 C1 C4 72.4(8) . . . . ?
P2 N1 C1 C4 -69.0(8) . . . . ?
Na1 N1 C1 C4 -177.6(5) . . . . ?
P1 N1 C1 C3 -49.6(9) . . . . ?
P2 N1 C1 C3 169.0(5) . . . . ?
Na1 N1 C1 C3 60.4(7) . . . . ?
P1 N1 C1 C2 -167.0(5) . . . . ?
P2 N1 C1 C2 51.6(9) . . . . ?
Na1 N1 C1 C2 -57.0(7) . . . . ?
P1 N3 C5 C8 -56.9(10) . . . . ?
Na2 N3 C5 C8 141.5(6) . . . . ?
P1 N3 C5 C7 -177.0(6) . . . . ?
Na2 N3 C5 C7 21.5(9) . . . . ?
P1 N3 C5 C6 65.0(9) . . . . ?
Na2 N3 C5 C6 -96.5(7) . . . . ?
P1 N2 C9 C11 -159.9(6) . . . . ?
P2 N2 C9 C11 39.1(9) . . . . ?
Na2 N2 C9 C11 -59.3(7) . . . . ?
P1 N2 C9 C10 -40.4(10) . . . . ?
P2 N2 C9 C10 158.5(6) . . . . ?
Na2 N2 C9 C10 60.1(7) . . . . ?
P1 N2 C9 C12 77.9(8) . . . . ?
P2 N2 C9 C12 -83.1(8) . . . . ?
Na2 N2 C9 C12 178.5(5) . . . . ?
P2 N4 C13 C16 -67.1(10) . . . . ?
Na2 N4 C13 C16 103.5(8) . . . . ?
P2 N4 C13 C14 56.3(11) . . . . ?
Na2 N4 C13 C14 -133.1(7) . . . . ?
P2 N4 C13 C15 175.6(7) . . . . ?
Na2 N4 C13 C15 -13.8(10) . . . . ?
C20 O1 C17 C18 -5.0(13) . . . . ?
Na1 O1 C17 C18 168.7(7) . . . . ?
O1 C17 C18 C19 22.0(13) . . . . ?
C17 C18 C19 C20 -30.7(13) . . . . ?
C17 O1 C20 C19 -14.6(12) . . . . ?
Na1 O1 C20 C19 170.7(7) . . . . ?
C18 C19 C20 O1 28.6(13) . . . . ?
C24 O2 C21 C22 13.9(16) . . . . ?
Na1 O2 C21 C22 -162.5(9) . . . . ?
O2 C21 C22 C23 0.7(17) . . . . ?
C21 C22 C23 C24 -14.1(16) . . . . ?
C21 O2 C24 C23 -23.2(13) . . . . ?
Na1 O2 C24 C23 153.4(7) . . . . ?
C22 C23 C24 O2 22.9(13) . . . . ?
C28 O3 C25 C26 32.7(14) . . . . ?
Na2 O3 C25 C26 -131.7(9) . . . . ?
O3 C25 C26 C27 -28.8(16) . . . . ?
C25 C26 C27 C28 13.9(17) . . . . ?
C25 O3 C28 C27 -23.1(14) . . . . ?
Na2 O3 C28 C27 142.0(9) . . . . ?
C26 C27 C28 O3 4.9(16) . . . . ?
C32 O4 C29 C30 20.2(13) . . . . ?
Na2 O4 C29 C30 -161.3(9) . . . . ?
O4 C29 C30 C31 -16.8(19) . . . . ?
C29 C30 C31 C32 7(2) . . . . ?
C29 O4 C32 C31 -17.0(15) . . . . ?
Na2 O4 C32 C31 164.8(10) . . . . ?
C30 C31 C32 O4 6(2) . . . . ?
