#------------------------------------------------------------------------------
#$Date: 2016-03-23 04:11:18 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179279 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/99/4319964.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_4319964
loop_
_publ_author_name
'Krystyna Brandt'
'Piotr Seliger'
'Andrzej Grzejdziak'
'Tadeusz J. Bartczak'
'Rafat Kruszynski'
'Dariusz Lach'
'Jerzy Silberring'
_publ_section_title
;
 Structure-Property Relationships of a Tetrapyrrolidinyl PNP-Lariat Ether
 and Its Complexes with Potassium, Sodium, and Silver Cations
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3704
_journal_page_last               3710
_journal_paper_doi               10.1021/ic000430q
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C24 H49 I K N7 O6 P3'
_chemical_formula_weight         790.61
_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
_cell_angle_alpha                91.320(10)
_cell_angle_beta                 105.520(10)
_cell_angle_gamma                92.470(10)
_cell_formula_units_Z            2
_cell_length_a                   9.5160(10)
_cell_length_b                   13.7840(10)
_cell_length_c                   14.0220(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1769.4(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.941
_diffrn_measured_fraction_theta_max 0.941
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1125
_diffrn_reflns_av_sigmaI/netI    0.0533
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            8223
_diffrn_reflns_theta_full        81.40
_diffrn_reflns_theta_max         81.40
_diffrn_reflns_theta_min         3.21
_exptl_absorpt_coefficient_mu    9.830
_exptl_absorpt_correction_T_max  0.4111
_exptl_absorpt_correction_T_min  0.2013
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             814
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.436
_refine_diff_density_min         -1.452
_refine_diff_density_rms         0.138
_refine_ls_extinction_coef       0.0123(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         7347
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.1058
_refine_ls_R_factor_gt           0.0738
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1492P)²+0.9245P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1954
_refine_ls_wR_factor_ref         0.2327
_reflns_number_gt                4654
_reflns_number_total             7347
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic000430q_1.cif
_cod_data_source_block           l-ki
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1492P)^2^+0.9245P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1492P)^2^+0.9245P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4319964
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.90694(17) 0.22277(10) 0.06535(10) 0.0607(3) Uani 1 d . . .
N5 N 0.7288(6) 0.2166(4) 0.0399(5) 0.0758(14) Uani 1 d . . .
C13 C 0.6482(9) 0.2658(5) 0.0974(8) 0.096(2) Uani 1 d . . .
H13A H 0.6724 0.3344 0.1046 0.115 Uiso 1 d R . .
H13B H 0.6633 0.2386 0.1616 0.115 Uiso 1 d R . .
C14 C 0.4882(12) 0.2374(8) 0.0360(14) 0.156(6) Uani 1 d . . .
H14A H 0.4633 0.2817 -0.0172 0.188 Uiso 1 d R . .
H14B H 0.4185 0.2408 0.0742 0.188 Uiso 1 d R . .
C15 C 0.4928(12) 0.1441(8) -0.0082(13) 0.151(6) Uani 1 d . . .
H15A H 0.4282 0.1350 -0.0737 0.181 Uiso 1 d R . .
H15B H 0.4632 0.0982 0.0340 0.181 Uiso 1 d R . .
C16 C 0.6435(10) 0.1279(7) -0.0074(9) 0.117(4) Uani 1 d . . .
H16A H 0.6796 0.0713 0.0279 0.140 Uiso 1 d R . .
H16B H 0.6500 0.1204 -0.0743 0.140 Uiso 1 d R . .
N6 N 0.9370(7) 0.1947(4) -0.0417(4) 0.0767(14) Uani 1 d . . .
C17 C 0.8829(12) 0.2543(8) -0.1273(5) 0.107(3) Uani 1 d . . .
H17A H 0.8901 0.3222 -0.1087 0.128 Uiso 1 d R . .
H17B H 0.7833 0.2353 -0.1607 0.128 Uiso 1 d R . .
C18 C 0.982(2) 0.2319(11) -0.1915(9) 0.169(6) Uani 1 d . . .
H18A H 1.0501 0.2860 -0.1887 0.202 Uiso 1 d R . .
H18B H 0.9267 0.2205 -0.2592 0.202 Uiso 1 d R . .
C19 C 1.0587(17) 0.1506(10) -0.1578(8) 0.139(4) Uani 1 d . . .
H19A H 1.1570 0.1582 -0.1632 0.166 Uiso 1 d R . .
H19B H 1.0122 0.0940 -0.1967 0.166 Uiso 1 d R . .
C20 C 1.0625(9) 0.1416(6) -0.0513(6) 0.0837(18) Uani 1 d . . .
H20A H 1.0505 0.0745 -0.0368 0.100 Uiso 1 d R . .
H20B H 1.1518 0.1688 -0.0075 0.100 Uiso 1 d R . .
N1 N 0.9507(5) 0.3326(3) 0.1027(4) 0.0636(11) Uani 1 d . . .
P2 P 1.09623(17) 0.17113(9) 0.24173(10) 0.0585(3) Uani 1 d . . .
N7 N 1.2172(6) 0.0890(3) 0.2676(4) 0.0689(12) Uani 1 d . . .
C21 C 1.2876(10) 0.0525(7) 0.1932(6) 0.096(2) Uani 1 d . . .
H21A H 1.2970 0.1026 0.1484 0.115 Uiso 1 d R . .
H21B H 1.2312 -0.0019 0.1559 0.115 Uiso 1 d R . .
C22 C 1.4198(17) 0.0083(15) 0.2532(8) 0.200(9) Uani 1 d . . .
H22A H 1.4947 0.0506 0.2400 0.240 Uiso 1 d R . .
H22B H 1.4348 -0.0568 0.2337 0.240 Uiso 1 d R . .
C23 C 1.4428(12) 0.0290(10) 0.3512(7) 0.126(4) Uani 1 d . . .
H23A H 1.4380 -0.0352 0.3758 0.151 Uiso 1 d R . .
H23B H 1.5332 0.0614 0.3875 0.151 Uiso 1 d R . .
C24 C 1.3170(11) 0.0830(6) 0.3660(6) 0.096(2) Uani 1 d . . .
H24A H 1.2688 0.0499 0.4089 0.115 Uiso 1 d R . .
H24B H 1.3499 0.1468 0.3942 0.115 Uiso 1 d R . .
N2 N 0.9859(6) 0.1435(3) 0.1396(4) 0.0645(11) Uani 1 d . . .
P3 P 1.08020(15) 0.36438(9) 0.19414(10) 0.0551(3) Uani 1 d . . .
N4 N 1.1822(6) 0.4453(4) 0.1578(4) 0.0672(12) Uani 1 d . . .
C9 C 1.3071(9) 0.4979(6) 0.2258(6) 0.095(2) Uani 1 d . . .
H9A H 1.3526 0.4574 0.2790 0.114 Uiso 1 d R . .
H9B H 1.2775 0.5557 0.2530 0.114 Uiso 1 d R . .
C10 C 1.4075(11) 0.5202(11) 0.1621(9) 0.146(5) Uani 1 d . . .
H10A H 1.4868 0.4773 0.1748 0.175 Uiso 1 d R . .
H10B H 1.4470 0.5858 0.1763 0.175 Uiso 1 d R . .
C11 C 1.3264(12) 0.5092(8) 0.0617(8) 0.114(3) Uani 1 d . . .
H11A H 1.3857 0.4872 0.0206 0.136 Uiso 1 d R . .
H11B H 1.2872 0.5698 0.0379 0.136 Uiso 1 d R . .
C12 C 1.2030(9) 0.4391(6) 0.0591(6) 0.087(2) Uani 1 d . . .
H12A H 1.1156 0.4533 0.0096 0.105 Uiso 1 d R . .
H12B H 1.2304 0.3751 0.0455 0.105 Uiso 1 d R . .
N3 N 1.1670(5) 0.2792(3) 0.2543(3) 0.0602(10) Uani 1 d . . .
O1 O 1.0222(5) 0.1631(3) 0.3310(3) 0.0662(10) Uani 1 d . . .
C1 C 0.9249(9) 0.0800(4) 0.3339(6) 0.0788(18) Uani 1 d . . .
H1A H 0.9716 0.0207 0.3278 0.095 Uiso 1 d R . .
H1B H 0.8380 0.0813 0.2801 0.095 Uiso 1 d R . .
C2 C 0.8872(9) 0.0856(4) 0.4294(6) 0.0774(17) Uani 1 d . . .
H2A H 0.9747 0.0866 0.4830 0.093 Uiso 1 d R . .
H2B H 0.8268 0.0297 0.4353 0.093 Uiso 1 d R . .
O2 O 0.8118(5) 0.1711(3) 0.4347(3) 0.0714(10) Uani 1 d . . .
C3 C 0.7725(9) 0.1790(4) 0.5237(6) 0.0820(19) Uani 1 d . . .
H3A H 0.8583 0.1813 0.5787 0.098 Uiso 1 d R . .
H3B H 0.7113 0.1236 0.5299 0.098 Uiso 1 d R . .
C4 C 0.6950(9) 0.2696(5) 0.5248(7) 0.089(2) Uani 1 d . . .
H4A H 0.6575 0.2714 0.5819 0.107 Uiso 1 d R . .
H4B H 0.6143 0.2714 0.4667 0.107 Uiso 1 d R . .
O3 O 0.7940(5) 0.3500(3) 0.5315(4) 0.0807(12) Uani 1 d . . .
C5 C 0.7241(8) 0.4391(4) 0.5111(6) 0.0768(17) Uani 1 d . . .
H5A H 1.2162 0.5110 0.4462 0.092 Uiso 1 d R . .
H5B H 0.6318 0.4336 0.5266 0.092 Uiso 1 d R . .
C6 C 0.7018(8) 0.4659(5) 0.4076(6) 0.0831(19) Uani 1 d . . .
H6A H 0.6465 0.5231 0.3955 0.100 Uiso 1 d R . .
H6B H 0.6484 0.4142 0.3641 0.100 Uiso 1 d R . .
O4 O 0.8396(5) 0.4853(3) 0.3878(3) 0.0753(11) Uani 1 d . . .
C7 C 0.8147(10) 0.5027(6) 0.2844(6) 0.090(2) Uani 1 d . . .
H7A H 0.7631 0.5610 0.2686 0.108 Uiso 1 d R . .
H7B H 0.7549 0.4495 0.2471 0.108 Uiso 1 d R . .
C8 C 0.9502(9) 0.5100(5) 0.2577(6) 0.0820(19) Uani 1 d . . .
H8A H 0.9312 0.5234 0.1887 0.098 Uiso 1 d R . .
H8B H 1.0101 0.5631 0.2951 0.098 Uiso 1 d R . .
O5 O 1.0267(5) 0.4225(2) 0.2770(3) 0.0610(9) Uani 1 d . . .
O66 O 1.3450(7) 0.3505(4) 0.4443(5) 0.0958(15) Uani 1 d . . .
H66 H 1.3919 0.2970 0.4675 0.144 Uiso 1 calc R . .
I1 I 1.29248(7) 0.21143(4) 0.64038(4) 0.0989(3) Uani 1 d . . .
K1 K 1.03239(14) 0.32960(8) 0.45564(10) 0.0658(3) Uani 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.3257 6.8362 '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
N1 P1 N2 114.9(2) . . ?
N1 P1 N5 103.8(3) . . ?
N2 P1 N5 114.7(3) . . ?
N1 P1 N6 114.4(3) . . ?
N2 P1 N6 105.6(3) . . ?
N5 P1 N6 103.0(3) . . ?
C13 N5 C16 108.9(6) . . ?
C13 N5 P1 123.8(5) . . ?
C16 N5 P1 120.8(5) . . ?
N5 C13 C14 100.7(7) . . ?
C15 C14 C13 106.0(9) . . ?
C14 C15 C16 108.5(8) . . ?
C15 C16 N5 105.5(7) . . ?
C17 N6 C20 111.0(6) . . ?
C17 N6 P1 120.6(5) . . ?
C20 N6 P1 123.3(5) . . ?
N6 C17 C18 102.9(8) . . ?
C19 C18 C17 109.7(9) . . ?
C18 C19 C20 107.4(8) . . ?
N6 C20 C19 103.5(7) . . ?
P3 N1 P1 124.1(3) . . ?
N2 P2 N3 116.0(2) . . ?
N2 P2 O1 112.1(3) . . ?
N3 P2 O1 103.8(2) . . ?
N2 P2 N7 108.9(3) . . ?
N3 P2 N7 113.0(3) . . ?
O1 P2 N7 102.1(2) . . ?
N2 P2 K1 127.8(2) . . ?
N3 P2 K1 63.75(18) . . ?
O1 P2 K1 40.08(13) . . ?
N7 P2 K1 118.78(18) . . ?
C24 N7 C21 109.3(6) . . ?
C24 N7 P2 122.0(4) . . ?
C21 N7 P2 121.5(5) . . ?
N7 C21 C22 103.6(7) . . ?
C23 C22 C21 112.0(8) . . ?
C22 C23 C24 108.7(8) . . ?
N7 C24 C23 105.4(6) . . ?
P2 N2 P1 122.8(3) . . ?
N1 P3 N3 116.2(2) . . ?
N1 P3 O5 112.0(3) . . ?
N3 P3 O5 102.8(2) . . ?
N1 P3 N4 107.4(3) . . ?
N3 P3 N4 114.4(3) . . ?
O5 P3 N4 103.2(2) . . ?
N1 P3 K1 118.72(19) . . ?
N3 P3 K1 64.12(18) . . ?
O5 P3 K1 40.31(12) . . ?
N4 P3 K1 128.74(19) . . ?
C12 N4 C9 110.3(6) . . ?
C12 N4 P3 121.1(5) . . ?
C9 N4 P3 122.8(4) . . ?
N4 C9 C10 103.4(7) . . ?
C11 C10 C9 108.5(8) . . ?
C10 C11 C12 106.1(8) . . ?
N4 C12 C11 105.1(7) . . ?
P3 N3 P2 120.3(3) . . ?
P3 N3 K1 91.5(2) . . ?
P2 N3 K1 91.9(2) . . ?
C1 O1 P2 119.5(3) . . ?
C1 O1 K1 120.4(3) . . ?
P2 O1 K1 118.67(18) . . ?
O1 C1 C2 107.7(5) . . ?
O2 C2 C1 109.4(5) . . ?
C3 O2 C2 111.4(5) . . ?
C3 O2 K1 102.6(4) . . ?
C2 O2 K1 104.8(4) . . ?
O2 C3 C4 108.8(6) . . ?
O2 C3 K1 54.4(3) . . ?
C4 C3 K1 84.3(4) . . ?
O3 C4 C3 109.3(6) . . ?
C4 O3 C5 113.1(5) . . ?
C4 O3 K1 118.6(4) . . ?
C5 O3 K1 115.0(4) . . ?
O3 C5 C6 112.6(5) . . ?
O4 C6 C5 109.8(6) . . ?
C6 O4 C7 108.4(6) . . ?
C6 O4 K1 110.6(4) . . ?
C7 O4 K1 113.8(4) . . ?
C6 O4 K1 100.2(4) . 2_766 ?
C7 O4 K1 117.2(4) . 2_766 ?
K1 O4 K1 105.67(14) . 2_766 ?
O4 C7 C8 110.8(6) . . ?
O5 C8 C7 111.4(5) . . ?
C8 O5 P3 122.7(4) . . ?
C8 O5 K1 117.9(3) . . ?
P3 O5 K1 118.22(17) . . ?
O3 K1 O5 117.11(15) . . ?
O3 K1 O1 116.21(13) . . ?
O5 K1 O1 80.87(11) . . ?
O3 K1 O4 61.03(14) . . ?
O5 K1 O4 58.77(12) . . ?
O1 K1 O4 120.01(13) . . ?
O3 K1 O2 59.37(12) . . ?
O5 K1 O2 114.07(13) . . ?
O1 K1 O2 57.67(12) . . ?
O4 K1 O2 98.49(14) . . ?
O3 K1 O66 158.39(17) . . ?
O5 K1 O66 73.31(14) . . ?
O1 K1 O66 83.22(14) . . ?
O4 K1 O66 119.05(14) . . ?
O2 K1 O66 136.37(13) . . ?
O3 K1 O4 80.99(13) . 2_766 ?
O5 K1 O4 98.81(11) . 2_766 ?
O1 K1 O4 161.05(13) . 2_766 ?
O4 K1 O4 74.33(14) . 2_766 ?
O2 K1 O4 136.53(12) . 2_766 ?
O66 K1 O4 78.60(14) . 2_766 ?
O3 K1 N3 148.88(15) . . ?
O5 K1 N3 45.25(10) . . ?
O1 K1 N3 45.59(11) . . ?
O4 K1 N3 103.05(12) . . ?
O2 K1 N3 100.91(12) . . ?
O66 K1 N3 52.02(14) . . ?
O4 K1 N3 122.55(12) 2_766 . ?
O3 K1 C3 42.14(14) . . ?
O5 K1 C3 131.63(18) . . ?
O1 K1 C3 78.85(14) . . ?
O4 K1 C3 95.74(17) . . ?
O2 K1 C3 22.97(15) . . ?
O66 K1 C3 145.21(17) . . ?
O4 K1 C3 113.75(14) 2_766 . ?
N3 K1 C3 123.49(14) . . ?
O3 K1 I1 105.43(12) . . ?
O5 K1 I1 136.84(9) . . ?
O1 K1 I1 87.12(9) . . ?
O4 K1 I1 152.60(10) . . ?
O2 K1 I1 93.02(10) . . ?
O66 K1 I1 64.15(11) . . ?
O4 K1 I1 80.20(8) 2_766 . ?
N3 K1 I1 99.03(8) . . ?
C3 K1 I1 85.28(15) . . ?
O3 K1 P3 131.64(13) . . ?
O5 K1 P3 21.47(7) . . ?
O1 K1 P3 61.24(8) . . ?
O4 K1 P3 78.70(9) . . ?
O2 K1 P3 105.71(10) . . ?
O66 K1 P3 64.73(12) . . ?
O4 K1 P3 114.31(9) 2_766 . ?
N3 K1 P3 24.37(7) . . ?
C3 K1 P3 127.78(14) . . ?
I1 K1 P3 121.90(4) . . ?
O3 K1 P2 133.13(11) . . ?
O5 K1 P2 62.94(8) . . ?
O1 K1 P2 21.26(8) . . ?
O4 K1 P2 113.15(10) . . ?
O2 K1 P2 77.52(9) . . ?
O66 K1 P2 68.12(12) . . ?
O4 K1 P2 145.27(9) 2_766 . ?
N3 K1 P2 24.35(8) . . ?
C3 K1 P2 99.56(12) . . ?
I1 K1 P2 93.55(4) . . ?
P3 K1 P2 41.95(3) . . ?
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
P1 N1 1.592(5) . ?
P1 N2 1.596(5) . ?
P1 N5 1.634(6) . ?
P1 N6 1.642(5) . ?
N5 C13 1.431(9) . ?
N5 C16 1.477(9) . ?
C13 C14 1.563(16) . ?
C14 C15 1.422(14) . ?
C15 C16 1.459(14) . ?
N6 C17 1.460(10) . ?
N6 C20 1.462(9) . ?
C17 C18 1.503(15) . ?
C18 C19 1.387(17) . ?
C19 C20 1.493(12) . ?
N1 P3 1.561(5) . ?
P2 N2 1.560(5) . ?
P2 N3 1.594(5) . ?
P2 O1 1.596(4) . ?
P2 N7 1.627(5) . ?
P2 K1 3.8633(18) . ?
N7 C24 1.457(9) . ?
N7 C21 1.473(9) . ?
C21 C22 1.479(13) . ?
C22 C23 1.354(14) . ?
C23 C24 1.494(12) . ?
P3 N3 1.590(4) . ?
P3 O5 1.600(4) . ?
P3 N4 1.626(5) . ?
P3 K1 3.8519(18) . ?
N4 C12 1.449(9) . ?
N4 C9 1.462(9) . ?
C9 C10 1.500(13) . ?
C10 C11 1.414(15) . ?
C11 C12 1.480(12) . ?
N3 K1 3.467(5) . ?
O1 C1 1.450(7) . ?
O1 K1 2.835(4) . ?
C1 C2 1.478(9) . ?
C2 O2 1.417(7) . ?
O2 C3 1.400(8) . ?
O2 K1 2.917(4) . ?
C3 C4 1.479(10) . ?
C3 K1 3.500(7) . ?
C4 O3 1.409(8) . ?
O3 C5 1.420(8) . ?
O3 K1 2.773(5) . ?
C5 C6 1.468(11) . ?
C6 O4 1.427(9) . ?
O4 C7 1.432(9) . ?
O4 K1 2.894(4) . ?
O4 K1 3.295(5) 2_766 ?
C7 C8 1.436(11) . ?
C8 O5 1.430(6) . ?
O5 K1 2.828(4) . ?
O66 K1 3.023(6) . ?
I1 K1 3.5496(14) . ?
K1 O4 3.295(5) 2_766 ?
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
P3 N1 P1 O1 34.5(4) . . . . ?
N1 P1 O1 C1 148.2(4) . . . . ?
P1 O1 C1 C2 -144.4(5) . . . . ?
O1 C1 C2 O2 62.5(8) . . . . ?
C1 C2 O2 C3 179.4(6) . . . . ?
C2 O2 C3 C4 179.8(6) . . . . ?
O2 C3 C4 O3 -68.4(9) . . . . ?
C3 C4 O3 C5 166.9(7) . . . . ?
C4 O3 C5 C6 -95.5(7) . . . . ?
O3 C5 C6 O4 -65.5(7) . . . . ?
C5 C6 O4 C7 174.9(5) . . . . ?
C6 O4 C7 C8 -172.4(6) . . . . ?
O4 C7 C8 O5 60.3(9) . . . . ?
C7 C8 O5 P3 125.6(6) . . . . ?
C8 O5 P3 N1 -58.4(5) . . . . ?
O5 P3 N1 P1 -120.2(4) . . . . ?
P3 N1 P1 O1 34.5(4) . . . . ?
N1 P1 N2 P2 0.7(5) . . . . ?
P1 N2 P2 N3 -19.5(5) . . . . ?
N2 P2 N3 P3 28.4(4) . . . . ?
