#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/83/4318394.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_4318394
loop_
_publ_author_name
'Tristram Chivers'
'Mark Krahn'
'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
;
 Syntheses and X-ray Structures of Potassium Derivatives and a
 Paramagnetic Nickel(II) Complex of a Cyclodiphosph(III/V)azane
 Monoselenide
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4348
_journal_page_last               4354
_journal_paper_doi               10.1021/ic020167o
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         'C32 H68 K2 N4 O4 P2 Se'
_chemical_formula_sum            'C32 H68 K2 N4 O4 P2 Se'
_chemical_formula_weight         792.00
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 113.8143(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.4814(14)
_cell_length_b                   13.9299(10)
_cell_length_c                   18.6483(14)
_cell_measurement_reflns_used    5450
_cell_measurement_temperature    193(2)
_cell_volume                     4392.1(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  WinGX-1.63
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0874
_diffrn_reflns_av_sigmaI/netI    0.0622
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            24273
_diffrn_reflns_theta_full        21.96
_diffrn_reflns_theta_max         21.96
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        'no decay'
_exptl_absorpt_coefficient_mu    1.152
_exptl_absorpt_correction_T_max  0.7939
_exptl_absorpt_correction_T_min  0.7857
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;SADABS, V 2.01, Software for Area-Detector Absorption
   Corrections; Bruker AXS Inc., Madison, WI, 2000.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.198
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1688
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.044
_refine_diff_density_min         -0.214
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     582
_refine_ls_number_reflns         5366
_refine_ls_number_restraints     682
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.1120
_refine_ls_R_factor_gt           0.0576
_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)+(0.0804P)²+3.5426P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1340
_refine_ls_wR_factor_ref         0.1618
_reflns_number_gt                3245
_reflns_number_total             5366
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020167o_5.cif
_cod_data_source_block           9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_Hall     -P2ybc
_cod_database_code               4318394
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Se1 Se 0.38928(4) 0.57619(5) 0.91359(4) 0.0759(3) Uani 1 1 d . . .
K1 K 0.48924(9) 0.38460(11) 0.90375(9) 0.0801(5) Uani 1 1 d . . .
K2 K 0.11514(8) 0.36483(12) 0.79093(9) 0.0815(5) Uani 1 1 d . . .
P1 P 0.30518(10) 0.30713(12) 0.81363(9) 0.0576(5) Uani 1 1 d . A .
P2 P 0.29032(10) 0.47556(12) 0.87181(9) 0.0573(5) Uani 1 1 d . A .
N1 N 0.2762(3) 0.4279(3) 0.7841(3) 0.0618(14) Uani 1 1 d . A .
N2 N 0.3181(3) 0.3635(3) 0.9037(3) 0.0523(12) Uani 1 1 d . . .
N3 N 0.2261(3) 0.2453(4) 0.7840(3) 0.0673(14) Uani 1 1 d . A .
N4 N 0.2114(3) 0.5076(4) 0.8761(3) 0.0731(15) Uani 1 1 d . A .
C10 C 0.2720(5) 0.4740(6) 0.7119(4) 0.081(2) Uani 1 1 d . . .
C11 C 0.3538(6) 0.4861(8) 0.7145(5) 0.146(4) Uani 1 1 d . A .
H11A H 0.3789 0.4230 0.7198 0.175 Uiso 1 1 calc R . .
H11B H 0.3852 0.5263 0.7594 0.175 Uiso 1 1 calc R . .
H11C H 0.3506 0.5167 0.6660 0.175 Uiso 1 1 calc R . .
C12 C 0.2254(7) 0.4097(7) 0.6439(4) 0.141(4) Uani 1 1 d . A .
H12A H 0.2521 0.3476 0.6504 0.170 Uiso 1 1 calc R . .
H12B H 0.2215 0.4396 0.5949 0.170 Uiso 1 1 calc R . .
H12C H 0.1722 0.4002 0.6422 0.170 Uiso 1 1 calc R . .
C13 C 0.2331(6) 0.5705(6) 0.7018(4) 0.120(3) Uani 1 1 d . A .
H13A H 0.2648 0.6124 0.7455 0.144 Uiso 1 1 calc R . .
H13B H 0.1801 0.5631 0.7011 0.144 Uiso 1 1 calc R . .
H13C H 0.2290 0.5992 0.6523 0.144 Uiso 1 1 calc R . .
C20 C 0.3249(4) 0.3158(4) 0.9773(3) 0.0606(17) Uani 1 1 d . A .
C21 C 0.3725(4) 0.2243(5) 0.9884(4) 0.087(2) Uani 1 1 d . . .
H21A H 0.4247 0.2396 0.9895 0.105 Uiso 1 1 calc R A .
H21B H 0.3449 0.1803 0.9448 0.105 Uiso 1 1 calc R . .
H21C H 0.3788 0.1938 1.0379 0.105 Uiso 1 1 calc R . .
C22 C 0.3693(4) 0.3830(5) 1.0471(3) 0.0737(19) Uani 1 1 d . . .
H22A H 0.3391 0.4424 1.0412 0.088 Uiso 1 1 calc R A .
H22B H 0.4216 0.3981 1.0483 0.088 Uiso 1 1 calc R . .
H22C H 0.3755 0.3511 1.0961 0.088 Uiso 1 1 calc R . .
C23 C 0.2440(4) 0.2923(5) 0.9753(4) 0.083(2) Uani 1 1 d . . .
H23A H 0.2134 0.3516 0.9684 0.100 Uiso 1 1 calc R A .
H23B H 0.2501 0.2615 1.0246 0.100 Uiso 1 1 calc R . .
H23C H 0.2163 0.2486 0.9315 0.100 Uiso 1 1 calc R . .
C30 C 0.2173(4) 0.1523(5) 0.7457(4) 0.088(2) Uani 1 1 d DU . .
C31 C 0.1418(12) 0.152(2) 0.6699(12) 0.136(8) Uani 0.59(4) 1 d PDU A 1
H31A H 0.1426 0.2068 0.6373 0.163 Uiso 0.59(4) 1 calc PR A 1
H31B H 0.0955 0.1568 0.6828 0.163 Uiso 0.59(4) 1 calc PR A 1
H31C H 0.1390 0.0923 0.6412 0.163 Uiso 0.59(4) 1 calc PR A 1
C32 C 0.2869(12) 0.1312(16) 0.7226(17) 0.103(7) Uani 0.59(4) 1 d PDU A 1
H32A H 0.3364 0.1304 0.7697 0.124 Uiso 0.59(4) 1 calc PR A 1
H32B H 0.2897 0.1811 0.6868 0.124 Uiso 0.59(4) 1 calc PR A 1
H32C H 0.2790 0.0685 0.6966 0.124 Uiso 0.59(4) 1 calc PR A 1
C33 C 0.2117(19) 0.0695(17) 0.7971(16) 0.126(9) Uani 0.59(4) 1 d PDU A 1
H33A H 0.2599 0.0674 0.8456 0.151 Uiso 0.59(4) 1 calc PR A 1
H33B H 0.2058 0.0088 0.7688 0.151 Uiso 0.59(4) 1 calc PR A 1
H33C H 0.1658 0.0792 0.8100 0.151 Uiso 0.59(4) 1 calc PR A 1
C31' C 0.1269(7) 0.142(3) 0.703(3) 0.155(11) Uani 0.41(4) 1 d PDU A 2
H31D H 0.1022 0.1591 0.7390 0.186 Uiso 0.41(4) 1 calc PR A 2
H31E H 0.1134 0.0760 0.6852 0.186 Uiso 0.41(4) 1 calc PR A 2
H31F H 0.1074 0.1857 0.6578 0.186 Uiso 0.41(4) 1 calc PR A 2
C32' C 0.253(3) 0.131(3) 0.687(2) 0.147(12) Uani 0.41(4) 1 d PDU A 2
H32D H 0.3112 0.1339 0.7129 0.177 Uiso 0.41(4) 1 calc PR A 2
H32E H 0.2345 0.1780 0.6441 0.177 Uiso 0.41(4) 1 calc PR A 2
H32F H 0.2376 0.0662 0.6649 0.177 Uiso 0.41(4) 1 calc PR A 2
C33' C 0.245(2) 0.0734(19) 0.8091(15) 0.081(7) Uani 0.41(4) 1 d PDU A 2
H33D H 0.2223 0.0851 0.8475 0.097 Uiso 0.41(4) 1 calc PR A 2
H33E H 0.3029 0.0744 0.8355 0.097 Uiso 0.41(4) 1 calc PR A 2
H33F H 0.2277 0.0106 0.7845 0.097 Uiso 0.41(4) 1 calc PR A 2
C40 C 0.1856(4) 0.5944(6) 0.9040(5) 0.091(2) Uani 1 1 d . . .
C41 C 0.0985(5) 0.5799(7) 0.8865(6) 0.135(4) Uani 1 1 d . A .
H41A H 0.0923 0.5228 0.9141 0.162 Uiso 1 1 calc R . .
H41B H 0.0688 0.5713 0.8299 0.162 Uiso 1 1 calc R . .
H41C H 0.0784 0.6363 0.9040 0.162 Uiso 1 1 calc R . .
C42 C 0.1946(5) 0.6839(6) 0.8617(5) 0.122(3) Uani 1 1 d . A .
H42A H 0.2507 0.6940 0.8731 0.147 Uiso 1 1 calc R . .
H42B H 0.1741 0.7396 0.8796 0.147 Uiso 1 1 calc R . .
H42C H 0.1650 0.6757 0.8051 0.147 Uiso 1 1 calc R . .
C43 C 0.2300(5) 0.6078(6) 0.9918(5) 0.106(3) Uani 1 1 d . A .
H43A H 0.2860 0.6196 1.0042 0.127 Uiso 1 1 calc R . .
H43B H 0.2248 0.5497 1.0190 0.127 Uiso 1 1 calc R . .
H43C H 0.2079 0.6627 1.0090 0.127 Uiso 1 1 calc R . .
O51 O 0.5470(4) 0.3642(6) 0.7928(4) 0.152(3) Uani 1 1 d DU . .
C52 C 0.5289(15) 0.2852(16) 0.7435(14) 0.160(7) Uani 0.63(2) 1 d PDU A 1
H52A H 0.4709 0.2758 0.7176 0.192 Uiso 0.63(2) 1 calc PR A 1
H52B H 0.5533 0.2263 0.7732 0.192 Uiso 0.63(2) 1 calc PR A 1
C53 C 0.5613(13) 0.3070(16) 0.6863(10) 0.139(6) Uani 0.63(2) 1 d PDU A 1
H53A H 0.5777 0.2480 0.6674 0.167 Uiso 0.63(2) 1 calc PR A 1
H53B H 0.5228 0.3426 0.6410 0.167 Uiso 0.63(2) 1 calc PR A 1
C54 C 0.6267(12) 0.3645(18) 0.7301(13) 0.141(7) Uani 0.63(2) 1 d PDU A 1
H54A H 0.6400 0.4082 0.6953 0.170 Uiso 0.63(2) 1 calc PR A 1
H54B H 0.6735 0.3242 0.7596 0.170 Uiso 0.63(2) 1 calc PR A 1
C55 C 0.6032(12) 0.4179(15) 0.7827(11) 0.120(6) Uani 0.63(2) 1 d PDU A 1
H55A H 0.6487 0.4282 0.8334 0.144 Uiso 0.63(2) 1 calc PR A 1
H55B H 0.5815 0.4812 0.7600 0.144 Uiso 0.63(2) 1 calc PR A 1
C52' C 0.5107(16) 0.307(3) 0.727(2) 0.166(9) Uani 0.37(2) 1 d PDU A 2
H52C H 0.4832 0.3467 0.6800 0.199 Uiso 0.37(2) 1 calc PR A 2
H52D H 0.4720 0.2632 0.7345 0.199 Uiso 0.37(2) 1 calc PR A 2
C53' C 0.575(2) 0.254(3) 0.722(3) 0.181(10) Uani 0.37(2) 1 d PDU A 2
H53C H 0.5846 0.1940 0.7520 0.217 Uiso 0.37(2) 1 calc PR A 2
H53D H 0.5633 0.2385 0.6662 0.217 Uiso 0.37(2) 1 calc PR A 2
C54' C 0.6405(17) 0.315(3) 0.752(2) 0.158(9) Uani 0.37(2) 1 d PDU A 2
H54C H 0.6433 0.3582 0.7116 0.190 Uiso 0.37(2) 1 calc PR A 2
H54D H 0.6901 0.2772 0.7751 0.190 Uiso 0.37(2) 1 calc PR A 2
C55' C 0.6268(11) 0.366(3) 0.811(2) 0.144(8) Uani 0.37(2) 1 d PDU A 2
H55C H 0.6564 0.3368 0.8628 0.173 Uiso 0.37(2) 1 calc PR A 2
H55D H 0.6449 0.4335 0.8125 0.173 Uiso 0.37(2) 1 calc PR A 2
O61 O 0.5480(4) 0.2010(4) 0.9325(5) 0.156(3) Uani 1 1 d DU . .
C62 C 0.5083(14) 0.1218(13) 0.8865(17) 0.149(8) Uani 0.54(3) 1 d PDU A 1
H62A H 0.5080 0.1271 0.8334 0.178 Uiso 0.54(3) 1 calc PR A 1
H62B H 0.4529 0.1201 0.8813 0.178 Uiso 0.54(3) 1 calc PR A 1
C63 C 0.5480(14) 0.0370(11) 0.9233(17) 0.133(7) Uani 0.54(3) 1 d PDU A 1
H63A H 0.5639 -0.0006 0.8870 0.160 Uiso 0.54(3) 1 calc PR A 1
H63B H 0.5132 -0.0033 0.9396 0.160 Uiso 0.54(3) 1 calc PR A 1
C64 C 0.6199(15) 0.0683(13) 0.9939(16) 0.140(8) Uani 0.54(3) 1 d PDU A 1
H64A H 0.6199 0.0392 1.0424 0.168 Uiso 0.54(3) 1 calc PR A 1
H64B H 0.6690 0.0491 0.9884 0.168 Uiso 0.54(3) 1 calc PR A 1
C65 C 0.6143(14) 0.1689(14) 0.9961(16) 0.160(10) Uani 0.54(3) 1 d PDU A 1
H65A H 0.6105 0.1885 1.0455 0.191 Uiso 0.54(3) 1 calc PR A 1
H65B H 0.6624 0.1985 0.9948 0.191 Uiso 0.54(3) 1 calc PR A 1
C62' C 0.5183(16) 0.1053(12) 0.917(2) 0.143(10) Uani 0.46(3) 1 d PDU A 2
H62C H 0.4666 0.1005 0.9210 0.171 Uiso 0.46(3) 1 calc PR A 2
H62D H 0.5115 0.0851 0.8638 0.171 Uiso 0.46(3) 1 calc PR A 2
C63' C 0.5757(16) 0.0466(18) 0.975(3) 0.157(9) Uani 0.46(3) 1 d PDU A 2
H63C H 0.5802 -0.0164 0.9525 0.189 Uiso 0.46(3) 1 calc PR A 2
H63D H 0.5611 0.0359 1.0198 0.189 Uiso 0.46(3) 1 calc PR A 2
C64' C 0.6521(13) 0.1011(18) 1.0003(19) 0.139(8) Uani 0.46(3) 1 d PDU A 2
H64C H 0.6776 0.1066 1.0581 0.167 Uiso 0.46(3) 1 calc PR A 2
H64D H 0.6891 0.0690 0.9817 0.167 Uiso 0.46(3) 1 calc PR A 2
C65' C 0.6302(9) 0.1913(15) 0.9656(19) 0.123(8) Uani 0.46(3) 1 d PDU A 2
H65C H 0.6538 0.2419 1.0055 0.148 Uiso 0.46(3) 1 calc PR A 2
H65D H 0.6506 0.1995 0.9244 0.148 Uiso 0.46(3) 1 calc PR A 2
O71 O 0.0026(4) 0.4349(6) 0.6580(4) 0.149(3) Uani 1 1 d DU A .
C72 C -0.0427(10) 0.3762(11) 0.5980(10) 0.156(7) Uani 0.714(14) 1 d PDU A 1
H72A H -0.0568 0.3178 0.6197 0.187 Uiso 0.714(14) 1 calc PR A 1
H72B H -0.0119 0.3563 0.5676 0.187 Uiso 0.714(14) 1 calc PR A 1
C73 C -0.1118(10) 0.4229(12) 0.5483(11) 0.162(8) Uani 0.714(14) 1 d PDU A 1
H73A H -0.1574 0.4047 0.5604 0.194 Uiso 0.714(14) 1 calc PR A 1
H73B H -0.1243 0.4083 0.4926 0.194 Uiso 0.714(14) 1 calc PR A 1
C74 C -0.0902(10) 0.5299(11) 0.5668(8) 0.141(5) Uani 0.714(14) 1 d PDU A 1
H74A H -0.0783 0.5601 0.5247 0.169 Uiso 0.714(14) 1 calc PR A 1
H74B H -0.1343 0.5652 0.5720 0.169 Uiso 0.714(14) 1 calc PR A 1
C75 C -0.0242(9) 0.5304(10) 0.6368(9) 0.146(6) Uani 0.714(14) 1 d PDU A 1
H75A H -0.0375 0.5598 0.6783 0.175 Uiso 0.714(14) 1 calc PR A 1
H75B H 0.0181 0.5692 0.6312 0.175 Uiso 0.714(14) 1 calc PR A 1
C72' C -0.0123(19) 0.391(3) 0.5861(13) 0.134(11) Uani 0.286(14) 1 d PDU A 2
H72C H 0.0351 0.3952 0.5741 0.161 Uiso 0.286(14) 1 calc PR A 2
H72D H -0.0252 0.3225 0.5882 0.161 Uiso 0.286(14) 1 calc PR A 2
C73' C -0.0755(19) 0.438(4) 0.5284(12) 0.130(8) Uani 0.286(14) 1 d PDU A 2
H73C H -0.1060 0.3936 0.4851 0.157 Uiso 0.286(14) 1 calc PR A 2
H73D H -0.0575 0.4934 0.5069 0.157 Uiso 0.286(14) 1 calc PR A 2
C74' C -0.1252(15) 0.470(4) 0.5744(15) 0.125(9) Uani 0.286(14) 1 d PDU A 2
H74C H -0.1474 0.5353 0.5581 0.151 Uiso 0.286(14) 1 calc PR A 2
H74D H -0.1689 0.4249 0.5667 0.151 Uiso 0.286(14) 1 calc PR A 2
C75' C -0.0699(15) 0.470(4) 0.6518(14) 0.143(9) Uani 0.286(14) 1 d PDU A 2
H75C H -0.0631 0.5361 0.6729 0.172 Uiso 0.286(14) 1 calc PR A 2
H75D H -0.0898 0.4296 0.6837 0.172 Uiso 0.286(14) 1 calc PR A 2
O81 O 0.0109(4) 0.3157(6) 0.8561(4) 0.143(2) Uani 1 1 d DU A .
C82 C -0.0639(9) 0.359(2) 0.8246(10) 0.140(7) Uani 0.56(2) 1 d PDU A 1
H82A H -0.0986 0.3254 0.7762 0.168 Uiso 0.56(2) 1 calc PR A 1
H82B H -0.0590 0.4269 0.8113 0.168 Uiso 0.56(2) 1 calc PR A 1
C83 C -0.0965(12) 0.354(2) 0.8812(14) 0.151(8) Uani 0.56(2) 1 d PDU A 1
H83A H -0.1294 0.4116 0.8779 0.181 Uiso 0.56(2) 1 calc PR A 1
H83B H -0.1297 0.2962 0.8732 0.181 Uiso 0.56(2) 1 calc PR A 1
C84 C -0.0362(13) 0.351(2) 0.9486(11) 0.159(7) Uani 0.56(2) 1 d PDU A 1
H84A H -0.0466 0.3045 0.9834 0.190 Uiso 0.56(2) 1 calc PR A 1
H84B H -0.0276 0.4150 0.9739 0.190 Uiso 0.56(2) 1 calc PR A 1
C85 C 0.0309(11) 0.3236(19) 0.9377(8) 0.134(7) Uani 0.56(2) 1 d PDU A 1
H85A H 0.0505 0.2611 0.9636 0.161 Uiso 0.56(2) 1 calc PR A 1
H85B H 0.0733 0.3719 0.9610 0.161 Uiso 0.56(2) 1 calc PR A 1
C82' C -0.0675(11) 0.322(3) 0.8063(14) 0.162(9) Uani 0.44(2) 1 d PDU A 2
H82C H -0.0823 0.2658 0.7703 0.195 Uiso 0.44(2) 1 calc PR A 2
H82D H -0.0771 0.3808 0.7744 0.195 Uiso 0.44(2) 1 calc PR A 2
C83' C -0.1137(11) 0.323(3) 0.8508(19) 0.151(9) Uani 0.44(2) 1 d PDU A 2
H83C H -0.1254 0.3892 0.8612 0.182 Uiso 0.44(2) 1 calc PR A 2
H83D H -0.1642 0.2879 0.8232 0.182 Uiso 0.44(2) 1 calc PR A 2
C84' C -0.0695(17) 0.279(3) 0.916(2) 0.161(9) Uani 0.44(2) 1 d PDU A 2
H84C H -0.0877 0.2116 0.9151 0.193 Uiso 0.44(2) 1 calc PR A 2
H84D H -0.0739 0.3116 0.9614 0.193 Uiso 0.44(2) 1 calc PR A 2
C85' C 0.0081(15) 0.280(3) 0.9244(14) 0.168(9) Uani 0.44(2) 1 d PDU A 2
H85C H 0.0300 0.2137 0.9341 0.201 Uiso 0.44(2) 1 calc PR A 2
H85D H 0.0403 0.3203 0.9695 0.201 Uiso 0.44(2) 1 calc PR A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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
P2 Se1 K1 126.93(6) . 3_667 ?
P2 Se1 K1 82.40(5) . . ?
K1 Se1 K1 91.64(4) 3_667 . ?
O51 K1 O61 78.7(3) . . ?
O51 K1 N2 133.81(18) . . ?
O61 K1 N2 103.25(18) . . ?
O51 K1 Se1 119.79(16) . 3_667 ?
O61 K1 Se1 84.33(16) . 3_667 ?
N2 K1 Se1 106.22(9) . 3_667 ?
O51 K1 Se1 122.18(19) . . ?
O61 K1 Se1 158.54(19) . . ?
N2 K1 Se1 59.60(9) . . ?
Se1 K1 Se1 88.36(4) 3_667 . ?
O51 K1 P1 102.71(16) . . ?
O61 K1 P1 92.29(15) . . ?
N2 K1 P1 31.81(8) . . ?
Se1 K1 P1 135.55(6) 3_667 . ?
Se1 K1 P1 78.91(5) . . ?
O51 K1 P2 125.95(19) . . ?
O61 K1 P2 129.72(17) . . ?
N2 K1 P2 26.83(9) . . ?
Se1 K1 P2 109.20(5) 3_667 . ?
Se1 K1 P2 35.77(3) . . ?
P1 K1 P2 43.89(4) . . ?
O51 K1 K1 135.86(16) . 3_667 ?
O61 K1 K1 125.54(18) . 3_667 ?
N2 K1 K1 80.85(9) . 3_667 ?
Se1 K1 K1 44.28(3) 3_667 3_667 ?
Se1 K1 K1 44.08(3) . 3_667 ?
P1 K1 K1 111.26(6) . 3_667 ?
P2 K1 K1 70.25(4) . 3_667 ?
N3 K2 O71 120.1(2) . . ?
N3 K2 N4 98.64(16) . . ?
O71 K2 N4 110.7(2) . . ?
N3 K2 O81 123.5(2) . . ?
O71 K2 O81 94.5(2) . . ?
N4 K2 O81 109.6(2) . . ?
N3 K2 N1 54.52(14) . . ?
O71 K2 N1 104.6(2) . . ?
N4 K2 N1 54.08(14) . . ?
O81 K2 N1 158.24(19) . . ?
N3 K2 P2 71.88(12) . . ?
O71 K2 P2 119.64(19) . . ?
N4 K2 P2 27.35(11) . . ?
O81 K2 P2 129.74(17) . . ?
N1 K2 P2 29.86(9) . . ?
N3 K2 P1 26.39(11) . . ?
O71 K2 P1 124.41(18) . . ?
N4 K2 P1 72.87(12) . . ?
O81 K2 P1 138.33(18) . . ?
N1 K2 P1 30.86(9) . . ?
P2 K2 P1 45.72(4) . . ?
N3 K2 C31' 41.1(2) . . ?
O71 K2 C31' 93.4(5) . . ?
N4 K2 C31' 139.6(3) . . ?
O81 K2 C31' 99.9(7) . . ?
N1 K2 C31' 89.4(5) . . ?
P2 K2 C31' 112.5(3) . . ?
P1 K2 C31' 66.8(2) . . ?
N3 P1 N2 108.7(2) . . ?
N3 P1 N1 106.5(3) . . ?
N2 P1 N1 77.5(2) . . ?
N3 P1 P2 113.0(2) . . ?
N3 P1 K1 164.8(2) . . ?
N2 P1 K1 70.04(15) . . ?
N1 P1 K1 88.19(18) . . ?
P2 P1 K1 76.00(6) . . ?
N2 P1 K2 75.84(15) . . ?
N1 P1 K2 65.11(17) . . ?
P2 P1 K2 64.89(6) . . ?
K1 P1 K2 140.49(6) . . ?
N4 P2 N2 114.0(3) . . ?
N4 P2 N1 112.4(3) . . ?
N2 P2 N1 83.3(2) . . ?
N4 P2 Se1 117.7(2) . . ?
N2 P2 Se1 112.28(18) . . ?
N1 P2 Se1 112.26(19) . . ?
N4 P2 P1 122.0(2) . . ?
Se1 P2 P1 120.33(8) . . ?
N4 P2 K2 53.1(2) . . ?
N2 P2 K2 80.34(17) . . ?
N1 P2 K2 68.78(18) . . ?
Se1 P2 K2 167.34(8) . . ?
P1 P2 K2 69.39(6) . . ?
N4 P2 K1 168.3(2) . . ?
N2 P2 K1 58.83(16) . . ?
N1 P2 K1 77.06(18) . . ?
Se1 P2 K1 61.83(5) . . ?
P1 P2 K1 60.11(5) . . ?
K2 P2 K1 129.20(6) . . ?
C10 N1 P2 130.5(5) . . ?
C10 N1 P1 126.5(4) . . ?
P2 N1 P1 99.4(2) . . ?
C10 N1 K2 117.3(4) . . ?
P2 N1 K2 81.37(19) . . ?
P1 N1 K2 84.02(19) . . ?
C20 N2 P2 130.2(4) . . ?
C20 N2 P1 127.1(4) . . ?
P2 N2 P1 99.8(2) . . ?
C20 N2 K1 109.2(3) . . ?
P2 N2 K1 94.34(19) . . ?
P1 N2 K1 78.15(16) . . ?
C30 N3 P1 123.8(4) . . ?
C30 N3 K2 129.8(4) . . ?
P1 N3 K2 105.0(3) . . ?
C40 N4 P2 134.3(5) . . ?
C40 N4 K2 125.5(4) . . ?
P2 N4 K2 99.5(3) . . ?
N1 C10 C13 110.6(6) . . ?
N1 C10 C11 109.9(6) . . ?
C13 C10 C11 109.2(7) . . ?
N1 C10 C12 108.2(6) . . ?
C13 C10 C12 110.2(7) . . ?
C11 C10 C12 108.7(7) . . ?
N2 C20 C23 111.0(5) . . ?
N2 C20 C21 109.3(5) . . ?
C23 C20 C21 109.6(6) . . ?
N2 C20 C22 109.0(5) . . ?
C23 C20 C22 109.6(5) . . ?
C21 C20 C22 108.3(5) . . ?
N3 C30 C32' 122.3(16) . . ?
N3 C30 C33 112.7(13) . . ?
C32' C30 C33 118(2) . . ?
N3 C30 C31 109.5(11) . . ?
C32' C30 C31 80.5(14) . . ?
C33 C30 C31 108.0(8) . . ?
N3 C30 C31' 102.5(15) . . ?
C32' C30 C31' 107.9(8) . . ?
C33 C30 C31' 85.5(16) . . ?
N3 C30 C33' 108.8(14) . . ?
C32' C30 C33' 107.7(8) . . ?
C31 C30 C33' 127.0(18) . . ?
C31' C30 C33' 106.7(8) . . ?
N3 C30 C32 111.5(9) . . ?
C33 C30 C32 107.9(8) . . ?
C31 C30 C32 107.1(7) . . ?
C31' C30 C32 133.9(14) . . ?
C33' C30 C32 91.2(17) . . ?
C30 C31' K2 86.5(15) . . ?
N4 C40 C43 111.8(6) . . ?
N4 C40 C41 106.3(6) . . ?
C43 C40 C41 108.2(7) . . ?
N4 C40 C42 111.8(7) . . ?
C43 C40 C42 109.5(7) . . ?
C41 C40 C42 109.0(7) . . ?
C55 O51 C52' 109(2) . . ?
C55' O51 C52' 108.6(15) . . ?
C55 O51 C52 110.0(11) . . ?
C55' O51 C52 97.4(17) . . ?
C55 O51 K1 127.6(7) . . ?
C55' O51 K1 121.9(15) . . ?
C52' O51 K1 122.4(17) . . ?
C52 O51 K1 121.8(9) . . ?
O51 C52 C53 105.0(13) . . ?
C54 C53 C52 101.9(12) . . ?
C53 C54 C55 105.4(11) . . ?
O51 C55 C54 105.6(10) . . ?
O51 C52' C53' 103.8(17) . . ?
C54' C53' C52' 105.6(17) . . ?
C53' C54' C55' 103.2(16) . . ?
O51 C55' C54' 108.0(15) . . ?
C65 O61 C62 109.3(12) . . ?
C65' O61 C62 113.5(16) . . ?
C65 O61 C62' 90.4(13) . . ?
C65' O61 C62' 105.1(14) . . ?
C65 O61 K1 127.5(9) . . ?
C65' O61 K1 116.8(9) . . ?
C62 O61 K1 122.9(10) . . ?
C62' O61 K1 137.9(12) . . ?
O61 C62 C63 108.6(12) . . ?
C62 C63 C64 106.5(11) . . ?
C65 C64 C63 105.3(12) . . ?
O61 C65 C64 110.2(13) . . ?
C63' C62' O61 105.9(14) . . ?
C62' C63' C64' 105.5(14) . . ?
C65' C64' C63' 104.4(12) . . ?
O61 C65' C64' 110.6(13) . . ?
C72 O71 C75' 83.7(17) . . ?
C75' O71 C72' 105.3(16) . . ?
C72 O71 C75 107.6(10) . . ?
C72' O71 C75 103.4(18) . . ?
C72 O71 K2 121.8(8) . . ?
C75' O71 K2 124.4(13) . . ?
C72' O71 K2 120.4(12) . . ?
C75 O71 K2 130.5(7) . . ?
O71 C72 C73 111.0(12) . . ?
C72 C73 C74 102.4(10) . . ?
C75 C74 C73 105.5(10) . . ?
C74 C75 O71 109.5(11) . . ?
C73' C72' O71 108.6(17) . . ?
C72' C73' C74' 102.0(16) . . ?
C75' C74' C73' 102.8(14) . . ?
O71 C75' C74' 111.6(15) . . ?
C82' O81 C85' 102.9(15) . . ?
C85' O81 C82 98.4(15) . . ?
C82' O81 C85 118.0(15) . . ?
C82 O81 C85 101.7(11) . . ?
C82' O81 K2 115.0(12) . . ?
C85' O81 K2 141.9(11) . . ?
C82 O81 K2 117.1(10) . . ?
C85 O81 K2 121.9(9) . . ?
O81 C82 C83 108.2(13) . . ?
C84 C83 C82 105.4(13) . . ?
C83 C84 C85 109.6(13) . . ?
C84 C85 O81 108.4(11) . . ?
O81 C82' C83' 109.0(14) . . ?
C84' C83' C82' 104.2(15) . . ?
C83' C84' C85' 108.9(14) . . ?
C84' C85' O81 109.0(14) . . ?
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
Se1 P2 2.1831(18) . ?
Se1 K1 3.2812(18) 3_667 ?
Se1 K1 3.2928(17) . ?
K1 O51 2.700(6) . ?
K1 O61 2.746(6) . ?
K1 N2 3.177(5) . ?
K1 Se1 3.2812(18) 3_667 ?
K1 P1 3.308(2) . ?
K1 P2 3.702(2) . ?
K1 K1 4.715(3) 3_667 ?
K2 N3 2.685(5) . ?
K2 O71 2.694(6) . ?
K2 N4 2.713(6) . ?
K2 O81 2.748(7) . ?
K2 N1 3.154(5) . ?
K2 P2 3.346(2) . ?
K2 P1 3.458(2) . ?
K2 C31' 3.55(4) . ?
P1 N3 1.591(5) . ?
P1 N2 1.782(5) . ?
P1 N1 1.784(5) . ?
P1 P2 2.645(2) . ?
P2 N4 1.558(5) . ?
P2 N2 1.676(5) . ?
P2 N1 1.685(5) . ?
N1 C10 1.467(8) . ?
N2 C20 1.483(7) . ?
N3 C30 1.456(8) . ?
N4 C40 1.469(8) . ?
C10 C13 1.500(10) . ?
C10 C11 1.502(10) . ?
C10 C12 1.506(10) . ?
C20 C23 1.515(8) . ?
C20 C21 1.515(8) . ?
C20 C22 1.543(8) . ?
C30 C32' 1.531(9) . ?
C30 C33 1.531(9) . ?
C30 C31 1.534(9) . ?
C30 C31' 1.541(9) . ?
C30 C33' 1.542(9) . ?
C30 C32 1.541(8) . ?
C40 C43 1.518(10) . ?
C40 C41 1.520(10) . ?
C40 C42 1.521(11) . ?
O51 C55 1.353(12) . ?
O51 C55' 1.375(15) . ?
O51 C52' 1.381(15) . ?
O51 C52 1.385(12) . ?
C52 C53 1.451(17) . ?
C53 C54 1.405(16) . ?
C54 C55 1.433(14) . ?
C52' C53' 1.440(19) . ?
C53' C54' 1.39(2) . ?
C54' C55' 1.413(17) . ?
O61 C65 1.391(14) . ?
O61 C65' 1.396(14) . ?
O61 C62 1.409(13) . ?
O61 C62' 1.427(14) . ?
C62 C63 1.413(16) . ?
C63 C64 1.51(2) . ?
C64 C65 1.407(16) . ?
C62' C63' 1.425(17) . ?
C63' C64' 1.50(2) . ?
C64' C65' 1.397(16) . ?
O71 C72 1.365(12) . ?
O71 C75' 1.387(15) . ?
O71 C72' 1.395(16) . ?
O71 C75 1.420(12) . ?
C72 C73 1.400(13) . ?
C73 C74 1.545(18) . ?
C74 C75 1.380(12) . ?
C72' C73' 1.389(17) . ?
C73' C74' 1.56(2) . ?
C74' C75' 1.391(17) . ?
O81 C82' 1.372(15) . ?
O81 C85' 1.389(15) . ?
O81 C82 1.401(13) . ?
O81 C85 1.417(13) . ?
C82 C83 1.412(14) . ?
C83 C84 1.301(19) . ?
C84 C85 1.389(15) . ?
C82' C83' 1.411(16) . ?
C83' C84' 1.32(2) . ?
C84' C85' 1.381(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
P2 Se1 K1 O51 108.26(18) . . . . ?
K1 Se1 K1 O51 -124.69(19) 3_667 . . . ?
P2 Se1 K1 O61 -57.1(4) . . . . ?
K1 Se1 K1 O61 69.9(4) 3_667 . . . ?
P2 Se1 K1 N2 -17.13(10) . . . . ?
K1 Se1 K1 N2 109.93(10) 3_667 . . . ?
P2 Se1 K1 Se1 -127.06(6) . . . 3_667 ?
P2 Se1 K1 P1 10.12(6) . . . . ?
K1 Se1 K1 P1 137.17(6) 3_667 . . . ?
K1 Se1 K1 P2 127.06(6) 3_667 . . . ?
P2 Se1 K1 K1 -127.06(6) . . . 3_667 ?
O51 K1 P1 N3 102.7(8) . . . . ?
O61 K1 P1 N3 23.8(8) . . . . ?
N2 K1 P1 N3 -88.0(8) . . . . ?
Se1 K1 P1 N3 -60.5(8) 3_667 . . . ?
Se1 K1 P1 N3 -136.5(7) . . . . ?
P2 K1 P1 N3 -128.0(8) . . . . ?
K1 K1 P1 N3 -106.0(7) 3_667 . . . ?
O51 K1 P1 N2 -169.3(2) . . . . ?
O61 K1 P1 N2 111.8(2) . . . . ?
Se1 K1 P1 N2 27.52(18) 3_667 . . . ?
Se1 K1 P1 N2 -48.51(16) . . . . ?
P2 K1 P1 N2 -39.99(16) . . . . ?
K1 K1 P1 N2 -18.02(17) 3_667 . . . ?
O51 K1 P1 N1 -91.9(2) . . . . ?
O61 K1 P1 N1 -170.8(2) . . . . ?
N2 K1 P1 N1 77.4(2) . . . . ?
Se1 K1 P1 N1 104.92(17) 3_667 . . . ?
Se1 K1 P1 N1 28.90(16) . . . . ?
P2 K1 P1 N1 37.41(15) . . . . ?
K1 K1 P1 N1 59.39(17) 3_667 . . . ?
O51 K1 P1 P2 -129.3(2) . . . . ?
O61 K1 P1 P2 151.75(19) . . . . ?
N2 K1 P1 P2 39.99(16) . . . . ?
Se1 K1 P1 P2 67.51(9) 3_667 . . . ?
Se1 K1 P1 P2 -8.52(5) . . . . ?
K1 K1 P1 P2 21.98(7) 3_667 . . . ?
O51 K1 P1 K2 -137.5(2) . . . . ?
O61 K1 P1 K2 143.6(2) . . . . ?
N2 K1 P1 K2 31.84(17) . . . . ?
Se1 K1 P1 K2 59.36(14) 3_667 . . . ?
Se1 K1 P1 K2 -16.67(10) . . . . ?
P2 K1 P1 K2 -8.16(9) . . . . ?
K1 K1 P1 K2 13.82(13) 3_667 . . . ?
O71 K2 P1 N3 -89.2(3) . . . . ?
N4 K2 P1 N3 167.1(3) . . . . ?
O81 K2 P1 N3 66.8(3) . . . . ?
N1 K2 P1 N3 -145.8(3) . . . . ?
P2 K2 P1 N3 171.1(3) . . . . ?
C31' K2 P1 N3 -11.6(8) . . . . ?
N3 K2 P1 N2 -131.6(3) . . . . ?
O71 K2 P1 N2 139.3(3) . . . . ?
N4 K2 P1 N2 35.56(19) . . . . ?
O81 K2 P1 N2 -64.8(3) . . . . ?
N1 K2 P1 N2 82.6(2) . . . . ?
P2 K2 P1 N2 39.50(16) . . . . ?
C31' K2 P1 N2 -143.2(8) . . . . ?
N3 K2 P1 N1 145.8(3) . . . . ?
O71 K2 P1 N1 56.6(3) . . . . ?
N4 K2 P1 N1 -47.1(2) . . . . ?
O81 K2 P1 N1 -147.5(3) . . . . ?
P2 K2 P1 N1 -43.14(17) . . . . ?
C31' K2 P1 N1 134.2(8) . . . . ?
N3 K2 P1 P2 -171.1(3) . . . . ?
O71 K2 P1 P2 99.8(2) . . . . ?
N4 K2 P1 P2 -3.94(13) . . . . ?
O81 K2 P1 P2 -104.3(3) . . . . ?
N1 K2 P1 P2 43.14(17) . . . . ?
C31' K2 P1 P2 177.3(8) . . . . ?
N3 K2 P1 K1 -162.3(3) . . . . ?
O71 K2 P1 K1 108.5(2) . . . . ?
N4 K2 P1 K1 4.81(16) . . . . ?
O81 K2 P1 K1 -95.6(3) . . . . ?
N1 K2 P1 K1 51.88(18) . . . . ?
P2 K2 P1 K1 8.74(9) . . . . ?
C31' K2 P1 K1 -173.9(8) . . . . ?
K1 Se1 P2 N4 80.4(2) 3_667 . . . ?
K1 Se1 P2 N4 166.7(2) . . . . ?
K1 Se1 P2 N2 -54.96(19) 3_667 . . . ?
K1 Se1 P2 N2 31.37(18) . . . . ?
K1 Se1 P2 N1 -146.75(18) 3_667 . . . ?
K1 Se1 P2 N1 -60.42(19) . . . . ?
K1 Se1 P2 P1 -100.79(9) 3_667 . . . ?
K1 Se1 P2 P1 -14.46(8) . . . . ?
K1 Se1 P2 K2 121.1(3) 3_667 . . . ?
K1 Se1 P2 K2 -152.6(4) . . . . ?
K1 Se1 P2 K1 -86.32(6) 3_667 . . . ?
N3 P1 P2 N4 0.5(3) . . . . ?
N2 P1 P2 N4 -91.1(3) . . . . ?
N1 P1 P2 N4 88.6(4) . . . . ?
K1 P1 P2 N4 -166.5(3) . . . . ?
K2 P1 P2 N4 7.7(2) . . . . ?
N3 P1 P2 N2 91.6(3) . . . . ?
N1 P1 P2 N2 179.7(4) . . . . ?
K1 P1 P2 N2 -75.4(2) . . . . ?
K2 P1 P2 N2 98.8(2) . . . . ?
N3 P1 P2 N1 -88.1(3) . . . . ?
N2 P1 P2 N1 -179.7(4) . . . . ?
K1 P1 P2 N1 104.9(3) . . . . ?
K2 P1 P2 N1 -80.8(3) . . . . ?
N3 P1 P2 Se1 -178.3(2) . . . . ?
N2 P1 P2 Se1 90.1(2) . . . . ?
N1 P1 P2 Se1 -90.2(3) . . . . ?
K1 P1 P2 Se1 14.71(8) . . . . ?
K2 P1 P2 Se1 -171.01(9) . . . . ?
N3 P1 P2 K2 -7.2(2) . . . . ?
N2 P1 P2 K2 -98.8(2) . . . . ?
N1 P1 P2 K2 80.8(3) . . . . ?
K1 P1 P2 K2 -174.28(6) . . . . ?
N3 P1 P2 K1 167.0(2) . . . . ?
N2 P1 P2 K1 75.4(2) . . . . ?
N1 P1 P2 K1 -104.9(3) . . . . ?
K2 P1 P2 K1 174.28(6) . . . . ?
N3 K2 P2 N4 -167.6(3) . . . . ?
O71 K2 P2 N4 77.5(3) . . . . ?
O81 K2 P2 N4 -48.7(3) . . . . ?
N1 K2 P2 N4 143.4(3) . . . . ?
P1 K2 P2 N4 -171.8(3) . . . . ?
C31' K2 P2 N4 -174.5(8) . . . . ?
N3 K2 P2 N2 -37.55(19) . . . . ?
O71 K2 P2 N2 -152.4(3) . . . . ?
N4 K2 P2 N2 130.1(3) . . . . ?
O81 K2 P2 N2 81.4(3) . . . . ?
N1 K2 P2 N2 -86.5(2) . . . . ?
P1 K2 P2 N2 -41.70(16) . . . . ?
C31' K2 P2 N2 -44.4(8) . . . . ?
N3 K2 P2 N1 48.9(2) . . . . ?
O71 K2 P2 N1 -65.9(3) . . . . ?
N4 K2 P2 N1 -143.4(3) . . . . ?
O81 K2 P2 N1 167.9(3) . . . . ?
P1 K2 P2 N1 44.79(18) . . . . ?
C31' K2 P2 N1 42.1(8) . . . . ?
N3 K2 P2 Se1 146.2(4) . . . . ?
O71 K2 P2 Se1 31.3(4) . . . . ?
N4 K2 P2 Se1 -46.2(4) . . . . ?
O81 K2 P2 Se1 -94.9(4) . . . . ?
N1 K2 P2 Se1 97.2(4) . . . . ?
P1 K2 P2 Se1 142.0(4) . . . . ?
C31' K2 P2 Se1 139.3(9) . . . . ?
N3 K2 P2 P1 4.15(12) . . . . ?
O71 K2 P2 P1 -110.7(2) . . . . ?
N4 K2 P2 P1 171.8(3) . . . . ?
O81 K2 P2 P1 123.1(2) . . . . ?
N1 K2 P2 P1 -44.79(18) . . . . ?
C31' K2 P2 P1 -2.7(8) . . . . ?
N3 K2 P2 K1 -2.25(13) . . . . ?
O71 K2 P2 K1 -117.1(2) . . . . ?
N4 K2 P2 K1 165.4(3) . . . . ?
O81 K2 P2 K1 116.7(2) . . . . ?
N1 K2 P2 K1 -51.20(18) . . . . ?
P1 K2 P2 K1 -6.40(7) . . . . ?
C31' K2 P2 K1 -9.1(8) . . . . ?
O51 K1 P2 N4 172.5(11) . . . . ?
O61 K1 P2 N4 65.7(11) . . . . ?
N2 K1 P2 N4 55.0(11) . . . . ?
Se1 K1 P2 N4 -33.1(11) 3_667 . . . ?
Se1 K1 P2 N4 -90.7(11) . . . . ?
P1 K1 P2 N4 103.7(11) . . . . ?
K1 K1 P2 N4 -54.6(11) 3_667 . . . ?
O51 K1 P2 N2 117.4(3) . . . . ?
O61 K1 P2 N2 10.7(3) . . . . ?
Se1 K1 P2 N2 -88.11(19) 3_667 . . . ?
Se1 K1 P2 N2 -145.74(19) . . . . ?
P1 K1 P2 N2 48.65(18) . . . . ?
K1 K1 P2 N2 -109.60(19) 3_667 . . . ?
O51 K1 P2 N1 27.5(3) . . . . ?
O61 K1 P2 N1 -79.2(3) . . . . ?
N2 K1 P2 N1 -89.9(3) . . . . ?
Se1 K1 P2 N1 -178.03(18) 3_667 . . . ?
Se1 K1 P2 N1 124.33(19) . . . . ?
P1 K1 P2 N1 -41.28(18) . . . . ?
K1 K1 P2 N1 160.47(18) 3_667 . . . ?
O51 K1 P2 Se1 -96.8(2) . . . . ?
O61 K1 P2 Se1 156.5(2) . . . . ?
N2 K1 P2 Se1 145.74(19) . . . . ?
Se1 K1 P2 Se1 57.64(6) 3_667 . . . ?
P1 K1 P2 Se1 -165.60(8) . . . . ?
K1 K1 P2 Se1 36.15(4) 3_667 . . . ?
O51 K1 P2 P1 68.8(2) . . . . ?
O61 K1 P2 P1 -37.9(2) . . . . ?
N2 K1 P2 P1 -48.65(18) . . . . ?
Se1 K1 P2 P1 -136.76(7) 3_667 . . . ?
Se1 K1 P2 P1 165.60(8) . . . . ?
K1 K1 P2 P1 -158.25(7) 3_667 . . . ?
O51 K1 P2 K2 75.7(2) . . . . ?
O61 K1 P2 K2 -31.0(3) . . . . ?
N2 K1 P2 K2 -41.74(18) . . . . ?
Se1 K1 P2 K2 -129.84(7) 3_667 . . . ?
Se1 K1 P2 K2 172.52(10) . . . . ?
P1 K1 P2 K2 6.91(7) . . . . ?
K1 K1 P2 K2 -151.34(7) 3_667 . . . ?
N4 P2 N1 C10 87.7(6) . . . . ?
N2 P2 N1 C10 -159.1(6) . . . . ?
Se1 P2 N1 C10 -47.7(6) . . . . ?
P1 P2 N1 C10 -158.9(7) . . . . ?
K2 P2 N1 C10 118.7(6) . . . . ?
K1 P2 N1 C10 -99.6(6) . . . . ?
N4 P2 N1 P1 -113.5(3) . . . . ?
N2 P2 N1 P1 -0.2(2) . . . . ?
Se1 P2 N1 P1 111.2(2) . . . . ?
K2 P2 N1 P1 -82.4(2) . . . . ?
K1 P2 N1 P1 59.28(19) . . . . ?
N4 P2 N1 K2 -31.0(3) . . . . ?
N2 P2 N1 K2 82.22(18) . . . . ?
Se1 P2 N1 K2 -166.42(9) . . . . ?
P1 P2 N1 K2 82.4(2) . . . . ?
K1 P2 N1 K2 141.71(11) . . . . ?
N3 P1 N1 C10 -93.6(6) . . . . ?
N2 P1 N1 C10 160.3(6) . . . . ?
P2 P1 N1 C10 160.1(7) . . . . ?
K1 P1 N1 C10 90.3(5) . . . . ?
K2 P1 N1 C10 -119.7(6) . . . . ?
N3 P1 N1 P2 106.3(3) . . . . ?
N2 P1 N1 P2 0.2(2) . . . . ?
K1 P1 N1 P2 -69.8(2) . . . . ?
K2 P1 N1 P2 80.2(2) . . . . ?
N3 P1 N1 K2 26.1(2) . . . . ?
N2 P1 N1 K2 -79.99(17) . . . . ?
P2 P1 N1 K2 -80.2(2) . . . . ?
K1 P1 N1 K2 -149.95(9) . . . . ?
N3 K2 N1 C10 110.3(5) . . . . ?
O71 K2 N1 C10 -6.4(5) . . . . ?
N4 K2 N1 C10 -111.6(5) . . . . ?
O81 K2 N1 C10 -157.1(6) . . . . ?
P2 K2 N1 C10 -131.3(5) . . . . ?
P1 K2 N1 C10 128.2(5) . . . . ?
C31' K2 N1 C10 87.0(8) . . . . ?
N3 K2 N1 P2 -118.3(2) . . . . ?
O71 K2 N1 P2 124.9(2) . . . . ?
N4 K2 N1 P2 19.76(17) . . . . ?
O81 K2 N1 P2 -25.8(6) . . . . ?
P1 K2 N1 P2 -100.5(2) . . . . ?
C31' K2 N1 P2 -141.7(7) . . . . ?
N3 K2 N1 P1 -17.88(16) . . . . ?
O71 K2 N1 P1 -134.6(2) . . . . ?
N4 K2 N1 P1 120.2(2) . . . . ?
O81 K2 N1 P1 74.7(6) . . . . ?
P2 K2 N1 P1 100.5(2) . . . . ?
C31' K2 N1 P1 -41.2(7) . . . . ?
N4 P2 N2 C20 -49.8(6) . . . . ?
N1 P2 N2 C20 -161.3(5) . . . . ?
Se1 P2 N2 C20 87.3(5) . . . . ?
P1 P2 N2 C20 -161.6(6) . . . . ?
K2 P2 N2 C20 -91.8(5) . . . . ?
K1 P2 N2 C20 119.7(5) . . . . ?
N4 P2 N2 P1 111.8(3) . . . . ?
N1 P2 N2 P1 0.2(2) . . . . ?
Se1 P2 N2 P1 -111.13(18) . . . . ?
K2 P2 N2 P1 69.74(18) . . . . ?
K1 P2 N2 P1 -78.70(18) . . . . ?
N4 P2 N2 K1 -169.5(2) . . . . ?
N1 P2 N2 K1 78.9(2) . . . . ?
Se1 P2 N2 K1 -32.43(17) . . . . ?
P1 P2 N2 K1 78.70(19) . . . . ?
K2 P2 N2 K1 148.45(12) . . . . ?
N3 P1 N2 C20 58.7(5) . . . . ?
N1 P1 N2 C20 162.2(5) . . . . ?
P2 P1 N2 C20 162.4(6) . . . . ?
K1 P1 N2 C20 -105.2(5) . . . . ?
K2 P1 N2 C20 95.0(4) . . . . ?
N3 P1 N2 P2 -103.6(3) . . . . ?
N1 P1 N2 P2 -0.2(2) . . . . ?
K1 P1 N2 P2 92.4(2) . . . . ?
K2 P1 N2 P2 -67.33(18) . . . . ?
N3 P1 N2 K1 163.9(2) . . . . ?
N1 P1 N2 K1 -92.63(19) . . . . ?
P2 P1 N2 K1 -92.4(2) . . . . ?
K2 P1 N2 K1 -159.75(10) . . . . ?
O51 K1 N2 C20 140.0(4) . . . . ?
O61 K1 N2 C20 53.0(4) . . . . ?
Se1 K1 N2 C20 -34.8(4) 3_667 . . . ?
Se1 K1 N2 C20 -113.0(4) . . . . ?
P1 K1 N2 C20 125.5(4) . . . . ?
P2 K1 N2 C20 -135.4(4) . . . . ?
K1 K1 N2 C20 -71.5(3) 3_667 . . . ?
O51 K1 N2 P2 -84.6(3) . . . . ?
O61 K1 N2 P2 -171.6(2) . . . . ?
Se1 K1 N2 P2 100.58(17) 3_667 . . . ?
Se1 K1 N2 P2 22.42(13) . . . . ?
P1 K1 N2 P2 -99.1(2) . . . . ?
K1 K1 N2 P2 63.91(16) 3_667 . . . ?
O51 K1 N2 P1 14.5(3) . . . . ?
O61 K1 N2 P1 -72.4(2) . . . . ?
Se1 K1 N2 P1 -160.31(13) 3_667 . . . ?
Se1 K1 N2 P1 121.54(17) . . . . ?
P2 K1 N2 P1 99.1(2) . . . . ?
K1 K1 N2 P1 163.02(16) 3_667 . . . ?
N2 P1 N3 C30 -142.2(5) . . . . ?
N1 P1 N3 C30 135.6(5) . . . . ?
P2 P1 N3 C30 176.6(4) . . . . ?
K1 P1 N3 C30 -59.6(10) . . . . ?
K2 P1 N3 C30 167.8(6) . . . . ?
N2 P1 N3 K2 50.0(3) . . . . ?
N1 P1 N3 K2 -32.2(3) . . . . ?
P2 P1 N3 K2 8.8(2) . . . . ?
K1 P1 N3 K2 132.6(6) . . . . ?
O71 K2 N3 C30 -59.2(6) . . . . ?
N4 K2 N3 C30 -179.2(5) . . . . ?
O81 K2 N3 C30 60.3(6) . . . . ?
N1 K2 N3 C30 -146.0(5) . . . . ?
P2 K2 N3 C30 -173.5(5) . . . . ?
P1 K2 N3 C30 -166.8(7) . . . . ?
C31' K2 N3 C30 -3.1(12) . . . . ?
O71 K2 N3 P1 107.6(3) . . . . ?
N4 K2 N3 P1 -12.4(3) . . . . ?
O81 K2 N3 P1 -132.9(3) . . . . ?
N1 K2 N3 P1 20.75(19) . . . . ?
P2 K2 N3 P1 -6.70(19) . . . . ?
C31' K2 N3 P1 163.7(12) . . . . ?
N2 P2 N4 C40 133.8(7) . . . . ?
N1 P2 N4 C40 -133.6(7) . . . . ?
Se1 P2 N4 C40 -0.8(8) . . . . ?
P1 P2 N4 C40 -179.6(6) . . . . ?
K2 P2 N4 C40 -170.5(8) . . . . ?
K1 P2 N4 C40 83.7(13) . . . . ?
N2 P2 N4 K2 -55.7(3) . . . . ?
N1 P2 N4 K2 36.9(3) . . . . ?
Se1 P2 N4 K2 169.71(9) . . . . ?
P1 P2 N4 K2 -9.1(3) . . . . ?
K1 P2 N4 K2 -105.8(10) . . . . ?
N3 K2 N4 C40 -176.4(6) . . . . ?
O71 K2 N4 C40 56.8(6) . . . . ?
O81 K2 N4 C40 -46.1(6) . . . . ?
N1 K2 N4 C40 150.2(6) . . . . ?
P2 K2 N4 C40 171.7(7) . . . . ?
P1 K2 N4 C40 177.8(6) . . . . ?
C31' K2 N4 C40 179.6(13) . . . . ?
N3 K2 N4 P2 11.9(3) . . . . ?
O71 K2 N4 P2 -114.9(3) . . . . ?
O81 K2 N4 P2 142.2(3) . . . . ?
N1 K2 N4 P2 -21.49(19) . . . . ?
P1 K2 N4 P2 6.1(2) . . . . ?
C31' K2 N4 P2 7.9(12) . . . . ?
P2 N1 C10 C13 -35.2(9) . . . . ?
P1 N1 C10 C13 171.1(5) . . . . ?
K2 N1 C10 C13 67.4(7) . . . . ?
P2 N1 C10 C11 85.5(8) . . . . ?
P1 N1 C10 C11 -68.2(9) . . . . ?
K2 N1 C10 C11 -171.9(6) . . . . ?
P2 N1 C10 C12 -156.0(6) . . . . ?
P1 N1 C10 C12 50.3(8) . . . . ?
K2 N1 C10 C12 -53.4(7) . . . . ?
P2 N2 C20 C23 74.0(7) . . . . ?
P1 N2 C20 C23 -83.0(6) . . . . ?
K1 N2 C20 C23 -172.5(4) . . . . ?
P2 N2 C20 C21 -165.0(5) . . . . ?
P1 N2 C20 C21 38.0(7) . . . . ?
K1 N2 C20 C21 -51.5(5) . . . . ?
P2 N2 C20 C22 -46.9(7) . . . . ?
P1 N2 C20 C22 156.1(4) . . . . ?
K1 N2 C20 C22 66.7(5) . . . . ?
P1 N3 C30 C32' -39(2) . . . . ?
K2 N3 C30 C32' 126(2) . . . . ?
P1 N3 C30 C33 109.9(14) . . . . ?
K2 N3 C30 C33 -85.5(14) . . . . ?
P1 N3 C30 C31 -129.9(15) . . . . ?
K2 N3 C30 C31 34.7(16) . . . . ?
P1 N3 C30 C31' -159.8(18) . . . . ?
K2 N3 C30 C31' 4.8(19) . . . . ?
P1 N3 C30 C33' 87.5(16) . . . . ?
K2 N3 C30 C33' -107.9(15) . . . . ?
P1 N3 C30 C32 -11.6(14) . . . . ?
K2 N3 C30 C32 153.0(13) . . . . ?
N3 C30 C31' K2 -2.8(11) . . . . ?
C32' C30 C31' K2 -133.0(16) . . . . ?
C33 C30 C31' K2 109.5(15) . . . . ?
C31 C30 C31' K2 -110(4) . . . . ?
C33' C30 C31' K2 111.4(15) . . . . ?
C32 C30 C31' K2 -140.0(17) . . . . ?
N3 K2 C31' C30 2.3(9) . . . . ?
O71 K2 C31' C30 136.2(17) . . . . ?
N4 K2 C31' C30 8(3) . . . . ?
O81 K2 C31' C30 -128.6(16) . . . . ?
N1 K2 C31' C30 31.6(17) . . . . ?
P2 K2 C31' C30 12(2) . . . . ?
P1 K2 C31' C30 10.1(14) . . . . ?
P2 N4 C40 C43 -65.2(10) . . . . ?
K2 N4 C40 C43 126.3(6) . . . . ?
P2 N4 C40 C41 176.8(6) . . . . ?
K2 N4 C40 C41 8.3(9) . . . . ?
P2 N4 C40 C42 58.0(9) . . . . ?
K2 N4 C40 C42 -110.5(6) . . . . ?
O61 K1 O51 C55 -120.8(16) . . . . ?
N2 K1 O51 C55 141.6(15) . . . . ?
Se1 K1 O51 C55 -44.1(16) 3_667 . . . ?
Se1 K1 O51 C55 64.6(16) . . . . ?
P1 K1 O51 C55 149.4(16) . . . . ?
P2 K1 O51 C55 107.9(16) . . . . ?
K1 K1 O51 C55 9.4(17) 3_667 . . . ?
O61 K1 O51 C55' -74(2) . . . . ?
N2 K1 O51 C55' -172(2) . . . . ?
Se1 K1 O51 C55' 2(2) 3_667 . . . ?
Se1 K1 O51 C55' 111(2) . . . . ?
P1 K1 O51 C55' -164(2) . . . . ?
P2 K1 O51 C55' 154(2) . . . . ?
K1 K1 O51 C55' 56(2) 3_667 . . . ?
O61 K1 O51 C52' 73(3) . . . . ?
N2 K1 O51 C52' -25(3) . . . . ?
Se1 K1 O51 C52' 149(3) 3_667 . . . ?
Se1 K1 O51 C52' -102(3) . . . . ?
P1 K1 O51 C52' -17(3) . . . . ?
P2 K1 O51 C52' -59(3) . . . . ?
K1 K1 O51 C52' -157(3) 3_667 . . . ?
O61 K1 O51 C52 49.9(16) . . . . ?
N2 K1 O51 C52 -47.7(17) . . . . ?
Se1 K1 O51 C52 126.6(16) 3_667 . . . ?
Se1 K1 O51 C52 -124.7(16) . . . . ?
P1 K1 O51 C52 -39.9(16) . . . . ?
P2 K1 O51 C52 -81.4(16) . . . . ?
K1 K1 O51 C52 -179.9(16) 3_667 . . . ?
C55 O51 C52 C53 -16(2) . . . . ?
C55' O51 C52 C53 -53(2) . . . . ?
C52' O51 C52 C53 74(7) . . . . ?
K1 O51 C52 C53 172.2(15) . . . . ?
O51 C52 C53 C54 31(3) . . . . ?
C52 C53 C54 C55 -34(2) . . . . ?
C55' O51 C55 C54 70(3) . . . . ?
C52' O51 C55 C54 -26(3) . . . . ?
C52 O51 C55 C54 -6(2) . . . . ?
K1 O51 C55 C54 165.7(11) . . . . ?
C53 C54 C55 O51 26(2) . . . . ?
C55 O51 C52' C53' 56(4) . . . . ?
C55' O51 C52' C53' 16(5) . . . . ?
C52 O51 C52' C53' -40(5) . . . . ?
K1 O51 C52' C53' -135(3) . . . . ?
O51 C52' C53' C54' -30(5) . . . . ?
C52' C53' C54' C55' 32(5) . . . . ?
C55 O51 C55' C54' -93(4) . . . . ?
C52' O51 C55' C54' 4(4) . . . . ?
C52 O51 C55' C54' 20(3) . . . . ?
K1 O51 C55' C54' 155(2) . . . . ?
C53' C54' C55' O51 -23(4) . . . . ?
O51 K1 O61 C65 109(2) . . . . ?
N2 K1 O61 C65 -118(2) . . . . ?
Se1 K1 O61 C65 -13(2) 3_667 . . . ?
Se1 K1 O61 C65 -84(2) . . . . ?
P1 K1 O61 C65 -148(2) . . . . ?
P2 K1 O61 C65 -123(2) . . . . ?
K1 K1 O61 C65 -30(2) 3_667 . . . ?
O51 K1 O61 C65' 71.3(17) . . . . ?
N2 K1 O61 C65' -156.0(17) . . . . ?
Se1 K1 O61 C65' -50.6(17) 3_667 . . . ?
Se1 K1 O61 C65' -121.3(17) . . . . ?
P1 K1 O61 C65' 173.8(17) . . . . ?
P2 K1 O61 C65' -160.9(17) . . . . ?
K1 K1 O61 C65' -67.8(17) 3_667 . . . ?
O51 K1 O61 C62 -78(2) . . . . ?
N2 K1 O61 C62 55(2) . . . . ?
Se1 K1 O61 C62 160(2) 3_667 . . . ?
Se1 K1 O61 C62 90(2) . . . . ?
P1 K1 O61 C62 25(2) . . . . ?
P2 K1 O61 C62 50(2) . . . . ?
K1 K1 O61 C62 143(2) 3_667 . . . ?
O51 K1 O61 C62' -101(3) . . . . ?
N2 K1 O61 C62' 31(3) . . . . ?
Se1 K1 O61 C62' 137(3) 3_667 . . . ?
Se1 K1 O61 C62' 66(3) . . . . ?
P1 K1 O61 C62' 1(3) . . . . ?
P2 K1 O61 C62' 26(3) . . . . ?
K1 K1 O61 C62' 119(3) 3_667 . . . ?
C65 O61 C62 C63 3(3) . . . . ?
C65' O61 C62 C63 38(3) . . . . ?
C62' O61 C62 C63 -34(5) . . . . ?
K1 O61 C62 C63 -171.5(14) . . . . ?
O61 C62 C63 C64 -4(3) . . . . ?
C62 C63 C64 C65 4(3) . . . . ?
C65' O61 C65 C64 -104(4) . . . . ?
C62 O61 C65 C64 0(3) . . . . ?
C62' O61 C65 C64 14(3) . . . . ?
K1 O61 C65 C64 173.6(17) . . . . ?
C63 C64 C65 O61 -2(3) . . . . ?
C65 O61 C62' C63' -1(4) . . . . ?
C65' O61 C62' C63' 30(4) . . . . ?
C62 O61 C62' C63' 145(9) . . . . ?
K1 O61 C62' C63' -157(2) . . . . ?
O61 C62' C63' C64' -24(4) . . . . ?
C62' C63' C64' C65' 9(4) . . . . ?
C65 O61 C65' C64' 42(2) . . . . ?
C62 O61 C65' C64' -47(3) . . . . ?
C62' O61 C65' C64' -24(3) . . . . ?
K1 O61 C65' C64' 161(2) . . . . ?
C63' C64' C65' O61 9(4) . . . . ?
N3 K2 O71 C72 52.5(13) . . . . ?
N4 K2 O71 C72 166.3(12) . . . . ?
O81 K2 O71 C72 -80.8(12) . . . . ?
N1 K2 O71 C72 109.7(12) . . . . ?
P2 K2 O71 C72 137.7(12) . . . . ?
P1 K2 O71 C72 83.4(12) . . . . ?
C31' K2 O71 C72 19.4(14) . . . . ?
N3 K2 O71 C75' 158(3) . . . . ?
N4 K2 O71 C75' -88(3) . . . . ?
O81 K2 O71 C75' 25(3) . . . . ?
N1 K2 O71 C75' -145(3) . . . . ?
P2 K2 O71 C75' -117(3) . . . . ?
P1 K2 O71 C75' -171(3) . . . . ?
C31' K2 O71 C75' 125(3) . . . . ?
N3 K2 O71 C72' 18(3) . . . . ?
N4 K2 O71 C72' 131(3) . . . . ?
O81 K2 O71 C72' -116(3) . . . . ?
N1 K2 O71 C72' 75(3) . . . . ?
P2 K2 O71 C72' 103(3) . . . . ?
P1 K2 O71 C72' 48(3) . . . . ?
C31' K2 O71 C72' -16(3) . . . . ?
N3 K2 O71 C75 -130.8(13) . . . . ?
N4 K2 O71 C75 -17.0(14) . . . . ?
O81 K2 O71 C75 95.8(13) . . . . ?
N1 K2 O71 C75 -73.7(13) . . . . ?
P2 K2 O71 C75 -45.7(14) . . . . ?
P1 K2 O71 C75 -100.0(13) . . . . ?
C31' K2 O71 C75 -164.0(14) . . . . ?
C75' O71 C72 C73 34(2) . . . . ?
C72' O71 C72 C73 -103(4) . . . . ?
C75 O71 C72 C73 -17(2) . . . . ?
K2 O71 C72 C73 160.5(13) . . . . ?
O71 C72 C73 C74 20(2) . . . . ?
C72 C73 C74 C75 -16(3) . . . . ?
C73 C74 C75 O71 7(2) . . . . ?
C72 O71 C75 C74 5(2) . . . . ?
C75' O71 C75 C74 -63.8(17) . . . . ?
C72' O71 C75 C74 36(2) . . . . ?
K2 O71 C75 C74 -172.0(10) . . . . ?
C72 O71 C72' C73' 75(3) . . . . ?
C75' O71 C72' C73' 30(4) . . . . ?
C75 O71 C72' C73' -28(4) . . . . ?
K2 O71 C72' C73' 177(2) . . . . ?
O71 C72' C73' C74' -31(5) . . . . ?
C72' C73' C74' C75' 22(6) . . . . ?
C72 O71 C75' C74' -35(4) . . . . ?
C72' O71 C75' C74' -14(5) . . . . ?
C75 O71 C75' C74' 82(4) . . . . ?
K2 O71 C75' C74' -159(3) . . . . ?
C73' C74' C75' O71 -5(6) . . . . ?
N3 K2 O81 C82' -121(2) . . . . ?
O71 K2 O81 C82' 10(2) . . . . ?
N4 K2 O81 C82' 124(2) . . . . ?
N1 K2 O81 C82' 162(2) . . . . ?
P2 K2 O81 C82' 145(2) . . . . ?
P1 K2 O81 C82' -150(2) . . . . ?
C31' K2 O81 C82' -84(2) . . . . ?
N3 K2 O81 C85' 54(3) . . . . ?
O71 K2 O81 C85' -175(3) . . . . ?
N4 K2 O81 C85' -62(3) . . . . ?
N1 K2 O81 C85' -24(3) . . . . ?
P2 K2 O81 C85' -40(3) . . . . ?
P1 K2 O81 C85' 24(3) . . . . ?
C31' K2 O81 C85' 90(3) . . . . ?
N3 K2 O81 C82 -149.4(13) . . . . ?
O71 K2 O81 C82 -18.5(14) . . . . ?
N4 K2 O81 C82 95.4(14) . . . . ?
N1 K2 O81 C82 133.2(14) . . . . ?
P2 K2 O81 C82 116.8(14) . . . . ?
P1 K2 O81 C82 -178.7(13) . . . . ?
C31' K2 O81 C82 -112.7(14) . . . . ?
N3 K2 O81 C85 84.6(13) . . . . ?
O71 K2 O81 C85 -144.5(13) . . . . ?
N4 K2 O81 C85 -30.6(13) . . . . ?
N1 K2 O81 C85 7.2(15) . . . . ?
P2 K2 O81 C85 -9.2(13) . . . . ?
P1 K2 O81 C85 55.3(13) . . . . ?
C31' K2 O81 C85 121.3(13) . . . . ?
C82' O81 C82 C83 110(5) . . . . ?
C85' O81 C82 C83 7(3) . . . . ?
C85 O81 C82 C83 -23(2) . . . . ?
K2 O81 C82 C83 -158.5(16) . . . . ?
O81 C82 C83 C84 27(3) . . . . ?
C82 C83 C84 C85 -19(3) . . . . ?
C83 C84 C85 O81 4(3) . . . . ?
C82' O81 C85 C84 -9(3) . . . . ?
C85' O81 C85 C84 -75(3) . . . . ?
C82 O81 C85 C84 12(2) . . . . ?
K2 O81 C85 C84 144.6(15) . . . . ?
C85' O81 C82' C83' 20(4) . . . . ?
C82 O81 C82' C83' -62(4) . . . . ?
C85 O81 C82' C83' -7(4) . . . . ?
K2 O81 C82' C83' -163(2) . . . . ?
O81 C82' C83' C84' -25(4) . . . . ?
C82' C83' C84' C85' 19(4) . . . . ?
C83' C84' C85' O81 -7(4) . . . . ?
C82' O81 C85' C84' -8(4) . . . . ?
C82 O81 C85' C84' 17(3) . . . . ?
C85 O81 C85' C84' 116(5) . . . . ?
K2 O81 C85' C84' 177(2) . . . . ?
