#------------------------------------------------------------------------------
#$Date: 2023-05-05 05:02:04 +0200 (Fri 05 de May de 2023) $
#$Revision: 283404 $
#$URL: svn://www.crystallography.net/cod/cif/7/06/23/7062380.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_7062380
loop_
_publ_author_name
'Romanenko, Nikita R.'
'Faraonov, Maxim A.'
'Osipov, Nikita G.'
'Kuzmin, Alexey V.'
'Khasanov, Salavat S.'
'Otsuka, Akihiro'
'Yamochi, Hideki'
'Kitagawa, Hiroshi'
'Konarev, Dmitri V.'
_publ_section_title
;
 Heterotrimetallic paramagnetic complex of ring reduced tin(ii)
 hexadecachlorophthalocyanine
;
_journal_issue                   14
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              6924
_journal_page_last               6931
_journal_paper_doi               10.1039/D3NJ00506B
_journal_volume                  47
_journal_year                    2023
_chemical_formula_moiety
'2(C6 H4 Cl2), 2(C18 H36 K N2 O6), C32 Cl18 N8 Sn'
_chemical_formula_sum            'C80 H80 Cl22 K2 N12 O12 Sn'
_chemical_formula_weight         2378.35
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2022-10-26
_audit_creation_method
;FinalCif V113 by Daniel Kratzert, Freiburg 2022,
https://dkratzert.de/finalcif.html
;
_audit_update_record
;
2022-10-26 deposited with the CCDC.	2023-03-16 downloaded from the CCDC.
;
_cell_angle_alpha                93.386(2)
_cell_angle_beta                 97.165(2)
_cell_angle_gamma                98.588(2)
_cell_formula_units_Z            2
_cell_length_a                   14.6176(3)
_cell_length_b                   16.7506(3)
_cell_length_c                   19.9647(4)
_cell_measurement_reflns_used    21629
_cell_measurement_temperature    101(1)
_cell_measurement_theta_max      29.2950
_cell_measurement_theta_min      2.3250
_cell_volume                     4780.81(17)
_computing_cell_refinement       'CrysAlisPro 1.171.42.60a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.60a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.60a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      101.15
_diffrn_detector_area_resol_mean 5.2283
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.833
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -62.00  41.00   1.00   55.00    --   11.89 -57.00  60.00  103
  2  ω      3.00  63.00   1.00   55.00    --   11.89  48.00 -29.00   60
  3  ω    -12.00  76.00   1.00   55.00    --   11.89  57.00-150.00   88
  4  ω    -74.00   1.00   1.00   55.00    --  -12.05 -57.00 -60.00   75
  5  ω    -30.00  -5.00   1.00   55.00    --  -12.05 -57.00-180.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, AtlasS2, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0234
_diffrn_reflns_av_unetI/netI     0.0401
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.833
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            46711
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.833
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.523
_diffrn_reflns_theta_min         1.640
_exptl_absorpt_coefficient_mu    1.034
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.78643
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.60a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'metallic dark black'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_description       block
_exptl_crystal_F_000             2404
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.570
_refine_diff_density_min         -0.427
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1162
_refine_ls_number_reflns         22237
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0308
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0279P)²+1.5500P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0650
_refine_ls_wR_factor_ref         0.0711
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18160
_reflns_number_total             22237
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3nj00506b2.cif
_cod_data_source_block           exp_2390_int1
_cod_depositor_comments
'Adding full bibliography for 7062380--7062381.cif.'
_cod_database_code               7062380
_shelx_shelxl_version_number     2018/3
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C101(H10A,H10B), C102(H10C,H10D), C103(H10E,H10F), C104(H10G,H10H), C105(H10I,
 H10J), C106(H10K,H10L), C107(H10M,H10N), C108(H10O,H10P), C109(H10Q,H10R),
 C110(H11A,H11B), C111(H11C,H11D), C112(H11E,H11F), C113(H11G,H11H), C114(H11I,
 H11J), C115(H11K,H11L), C116(H11M,H11N), C117(H11O,H11P), C118(H11Q,H11R),
 C201(H20A,H20B), C202(H20C,H20D), C203(H20E,H20F), C204(H20G,H20H), C205(H20I,
 H20J), C206(H20K,H20L), C207(H20M,H20N), C208(H20O,H20P), C209(H20Q,H20R),
 C210(H21A,H21B), C211(H21C,H21D), C212(H21E,H21F), C213(H21G,H21H), C214(H21I,
 H21J), C215(H21K,H21L), C216(H21M,H21N), C217(H21O,H21P), C218(H21Q,H21R)
2.b Aromatic/amide H refined with riding coordinates:
 C43(H43), C44(H44), C45(H45), C46(H46), C53(H53), C54(H54), C55(H55), C56(H56)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.600
_shelx_estimated_absorpt_t_max   0.922
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C41 C 0.87623(14) 0.58943(14) 0.26495(11) 0.0236(5) Uani 1 1 d . . . . .
C42 C 0.84413(14) 0.58597(14) 0.32733(11) 0.0226(5) Uani 1 1 d . . . . .
C43 C 0.89536(15) 0.63115(15) 0.38351(12) 0.0284(5) Uani 1 1 d . . . . .
H43 H 0.873610 0.629022 0.426365 0.034 Uiso 1 1 calc R U . . .
C44 C 0.97889(16) 0.67963(16) 0.37667(13) 0.0337(6) Uani 1 1 d . . . . .
H44 H 1.014580 0.710523 0.415149 0.040 Uiso 1 1 calc R U . . .
C45 C 1.01049(15) 0.68331(15) 0.31442(13) 0.0315(6) Uani 1 1 d . . . . .
H45 H 1.067669 0.716715 0.310168 0.038 Uiso 1 1 calc R U . . .
C46 C 0.95902(14) 0.63846(14) 0.25834(12) 0.0263(5) Uani 1 1 d . . . . .
H46 H 0.980383 0.641270 0.215387 0.032 Uiso 1 1 calc R U . . .
Cl41 Cl 0.81424(4) 0.53086(4) 0.19461(3) 0.03492(14) Uani 1 1 d . . . . .
Cl42 Cl 0.74015(4) 0.52532(4) 0.33622(3) 0.02867(13) Uani 1 1 d . . . . .
C51 C 0.52966(13) 0.73766(13) -0.17557(11) 0.0202(4) Uani 1 1 d . . . . .
C52 C 0.49850(14) 0.73818(13) -0.11253(11) 0.0209(5) Uani 1 1 d . . . . .
C53 C 0.43540(15) 0.67383(15) -0.09724(12) 0.0290(5) Uani 1 1 d . . . . .
H53 H 0.413226 0.674447 -0.054488 0.035 Uiso 1 1 calc R U . . .
C54 C 0.40508(16) 0.60906(15) -0.14432(14) 0.0356(6) Uani 1 1 d . . . . .
H54 H 0.362127 0.564691 -0.133825 0.043 Uiso 1 1 calc R U . . .
C55 C 0.43665(16) 0.60788(15) -0.20709(13) 0.0347(6) Uani 1 1 d . . . . .
H55 H 0.415487 0.562724 -0.239209 0.042 Uiso 1 1 calc R U . . .
C56 C 0.49860(15) 0.67210(14) -0.22283(12) 0.0267(5) Uani 1 1 d . . . . .
H56 H 0.519981 0.671504 -0.265857 0.032 Uiso 1 1 calc R U . . .
Cl51 Cl 0.60605(4) 0.81897(3) -0.19573(3) 0.02781(12) Uani 1 1 d . . . . .
Cl52 Cl 0.53692(4) 0.81975(3) -0.05300(3) 0.02628(12) Uani 1 1 d . . . . .
C101 C 0.04471(14) 0.61105(13) 0.56113(11) 0.0215(5) Uani 1 1 d . . . . .
H10A H -0.004160 0.626273 0.527544 0.026 Uiso 1 1 calc R U . . .
H10B H 0.022078 0.555960 0.573655 0.026 Uiso 1 1 calc R U . . .
C102 C 0.13235(14) 0.60920(12) 0.52874(11) 0.0209(5) Uani 1 1 d . . . . .
H10C H 0.182650 0.595766 0.562109 0.025 Uiso 1 1 calc R U . . .
H10D H 0.120445 0.567290 0.490244 0.025 Uiso 1 1 calc R U . . .
C103 C 0.23212(15) 0.68520(13) 0.46347(12) 0.0245(5) Uani 1 1 d . . . . .
H10E H 0.209860 0.645467 0.423963 0.029 Uiso 1 1 calc R U . . .
H10F H 0.287316 0.668241 0.489334 0.029 Uiso 1 1 calc R U . . .
C104 C 0.25844(15) 0.76758(13) 0.43986(11) 0.0230(5) Uani 1 1 d . . . . .
H10G H 0.303596 0.765580 0.406970 0.028 Uiso 1 1 calc R U . . .
H10H H 0.202352 0.786545 0.417204 0.028 Uiso 1 1 calc R U . . .
C105 C 0.33368(14) 0.89920(13) 0.47659(11) 0.0205(4) Uani 1 1 d . . . . .
H10I H 0.281274 0.923967 0.454882 0.025 Uiso 1 1 calc R U . . .
H10J H 0.377558 0.893537 0.443267 0.025 Uiso 1 1 calc R U . . .
C106 C 0.38290(13) 0.95220(13) 0.53781(11) 0.0199(4) Uani 1 1 d . . . . .
H10K H 0.431222 0.924191 0.561231 0.024 Uiso 1 1 calc R U . . .
H10L H 0.415010 1.002930 0.522697 0.024 Uiso 1 1 calc R U . . .
C107 C 0.09746(14) 0.62906(13) 0.68092(11) 0.0213(5) Uani 1 1 d . . . . .
H10M H 0.146090 0.598642 0.667206 0.026 Uiso 1 1 calc R U . . .
H10N H 0.047431 0.589595 0.695012 0.026 Uiso 1 1 calc R U . . .
C108 C 0.13962(14) 0.68783(13) 0.74063(11) 0.0223(5) Uani 1 1 d . . . . .
H10O H 0.092675 0.720547 0.753748 0.027 Uiso 1 1 calc R U . . .
H10P H 0.159751 0.657905 0.779722 0.027 Uiso 1 1 calc R U . . .
C109 C 0.27161(14) 0.78565(13) 0.77997(11) 0.0233(5) Uani 1 1 d . . . . .
H10Q H 0.290249 0.749166 0.814663 0.028 Uiso 1 1 calc R U . . .
H10R H 0.234068 0.823017 0.799958 0.028 Uiso 1 1 calc R U . . .
C110 C 0.35649(14) 0.83280(13) 0.75820(11) 0.0224(5) Uani 1 1 d . . . . .
H11A H 0.399423 0.858755 0.798450 0.027 Uiso 1 1 calc R U . . .
H11B H 0.389693 0.796018 0.733093 0.027 Uiso 1 1 calc R U . . .
C111 C 0.40847(13) 0.93803(13) 0.69288(11) 0.0208(5) Uani 1 1 d . . . . .
H11C H 0.438608 0.901738 0.664769 0.025 Uiso 1 1 calc R U . . .
H11D H 0.454539 0.962308 0.732064 0.025 Uiso 1 1 calc R U . . .
C112 C 0.37615(14) 1.00365(13) 0.65174(11) 0.0218(5) Uani 1 1 d . . . . .
H11E H 0.338390 1.034423 0.678424 0.026 Uiso 1 1 calc R U . . .
H11F H 0.431484 1.041628 0.643324 0.026 Uiso 1 1 calc R U . . .
C113 C -0.03184(13) 0.69253(12) 0.63405(11) 0.0188(4) Uani 1 1 d . . . . .
H11G H -0.025648 0.716348 0.681286 0.023 Uiso 1 1 calc R U . . .
H11H H -0.080247 0.643679 0.629148 0.023 Uiso 1 1 calc R U . . .
C114 C -0.06396(13) 0.75267(12) 0.58705(11) 0.0188(4) Uani 1 1 d . . . . .
H11I H -0.065509 0.731596 0.539473 0.023 Uiso 1 1 calc R U . . .
H11J H -0.127829 0.761216 0.593874 0.023 Uiso 1 1 calc R U . . .
C115 C -0.03686(13) 0.88985(13) 0.56518(11) 0.0211(5) Uani 1 1 d . . . . .
H11K H -0.101486 0.892605 0.574101 0.025 Uiso 1 1 calc R U . . .
H11L H -0.037735 0.878809 0.515826 0.025 Uiso 1 1 calc R U . . .
C116 C 0.02503(13) 0.96839(13) 0.58928(12) 0.0218(5) Uani 1 1 d . . . . .
H11M H -0.003180 1.014060 0.570858 0.026 Uiso 1 1 calc R U . . .
H11N H 0.032688 0.975867 0.639336 0.026 Uiso 1 1 calc R U . . .
C117 C 0.17881(13) 1.03666(12) 0.59212(11) 0.0204(5) Uani 1 1 d . . . . .
H11O H 0.192772 1.037488 0.641990 0.025 Uiso 1 1 calc R U . . .
H11P H 0.152232 1.086031 0.580994 0.025 Uiso 1 1 calc R U . . .
C118 C 0.26699(13) 1.03509(12) 0.56058(11) 0.0199(4) Uani 1 1 d . . . . .
H11Q H 0.250680 1.024699 0.510877 0.024 Uiso 1 1 calc R U . . .
H11R H 0.306756 1.088844 0.569871 0.024 Uiso 1 1 calc R U . . .
K11 K 0.18921(3) 0.81860(3) 0.60399(2) 0.01571(9) Uani 1 1 d . . . . .
N101 N 0.05806(11) 0.66793(10) 0.62183(8) 0.0174(4) Uani 1 1 d . . . . .
N102 N 0.32034(11) 0.97282(10) 0.58637(8) 0.0164(4) Uani 1 1 d . . . . .
O101 O 0.16024(9) 0.68728(8) 0.50534(7) 0.0183(3) Uani 1 1 d . . . . .
O102 O 0.29929(9) 0.82179(8) 0.49722(7) 0.0188(3) Uani 1 1 d . . . . .
O103 O 0.21798(9) 0.73955(9) 0.72248(7) 0.0197(3) Uani 1 1 d . . . . .
O104 O 0.32911(9) 0.89335(8) 0.71580(7) 0.0186(3) Uani 1 1 d . . . . .
O105 O -0.00164(9) 0.82739(8) 0.60031(7) 0.0185(3) Uani 1 1 d . . . . .
O106 O 0.11371(9) 0.96673(8) 0.56667(7) 0.0192(3) Uani 1 1 d . . . . .
C201 C 0.52162(14) 0.60376(13) 0.08341(11) 0.0212(5) Uani 1 1 d . . . . .
H20A H 0.474993 0.620011 0.048645 0.025 Uiso 1 1 calc R U . . .
H20B H 0.493799 0.551749 0.099070 0.025 Uiso 1 1 calc R U . . .
C202 C 0.60700(14) 0.59119(13) 0.05156(11) 0.0230(5) Uani 1 1 d . . . . .
H20C H 0.656186 0.579302 0.086609 0.028 Uiso 1 1 calc R U . . .
H20D H 0.591259 0.544427 0.017207 0.028 Uiso 1 1 calc R U . . .
C203 C 0.72194(14) 0.65092(14) -0.00912(12) 0.0262(5) Uani 1 1 d . . . . .
H20E H 0.708695 0.600847 -0.039931 0.031 Uiso 1 1 calc R U . . .
H20F H 0.772969 0.644921 0.026871 0.031 Uiso 1 1 calc R U . . .
C204 C 0.75163(15) 0.72149(15) -0.04762(12) 0.0290(5) Uani 1 1 d . . . . .
H20G H 0.802254 0.710113 -0.073647 0.035 Uiso 1 1 calc R U . . .
H20H H 0.698404 0.731947 -0.079892 0.035 Uiso 1 1 calc R U . . .
C205 C 0.81635(15) 0.86089(15) -0.03255(12) 0.0304(6) Uani 1 1 d . . . . .
H20I H 0.762918 0.882660 -0.056239 0.036 Uiso 1 1 calc R U . . .
H20J H 0.857211 0.847637 -0.066223 0.036 Uiso 1 1 calc R U . . .
C206 C 0.87008(15) 0.92262(15) 0.02157(13) 0.0322(6) Uani 1 1 d . . . . .
H20K H 0.921657 0.898867 0.045691 0.039 Uiso 1 1 calc R U . . .
H20L H 0.898306 0.970007 -0.000348 0.039 Uiso 1 1 calc R U . . .
C207 C 0.45435(13) 0.69466(13) 0.15458(11) 0.0213(5) Uani 1 1 d . . . . .
H20M H 0.462805 0.718763 0.201856 0.026 Uiso 1 1 calc R U . . .
H20N H 0.403299 0.647844 0.150099 0.026 Uiso 1 1 calc R U . . .
C208 C 0.42619(14) 0.75647(13) 0.10768(11) 0.0226(5) Uani 1 1 d . . . . .
H20O H 0.422335 0.734680 0.060054 0.027 Uiso 1 1 calc R U . . .
H20P H 0.363922 0.768778 0.115214 0.027 Uiso 1 1 calc R U . . .
C209 C 0.45844(16) 0.89454(14) 0.09030(13) 0.0299(6) Uani 1 1 d . . . . .
H20Q H 0.401334 0.904477 0.109224 0.036 Uiso 1 1 calc R U . . .
H20R H 0.442182 0.881996 0.040774 0.036 Uiso 1 1 calc R U . . .
C210 C 0.53135(18) 0.96783(15) 0.10461(13) 0.0349(6) Uani 1 1 d . . . . .
H21A H 0.505461 1.015791 0.088732 0.042 Uiso 1 1 calc R U . . .
H21B H 0.551575 0.977453 0.153999 0.042 Uiso 1 1 calc R U . . .
C211 C 0.67968(16) 1.02555(13) 0.08099(13) 0.0312(6) Uani 1 1 d . . . . .
H21C H 0.702775 1.036684 0.129915 0.037 Uiso 1 1 calc R U . . .
H21D H 0.653469 1.073259 0.064879 0.037 Uiso 1 1 calc R U . . .
C212 C 0.75901(15) 1.01112(14) 0.04290(12) 0.0306(6) Uani 1 1 d . . . . .
H21E H 0.733548 0.992772 -0.004724 0.037 Uiso 1 1 calc R U . . .
H21F H 0.801460 1.063021 0.042836 0.037 Uiso 1 1 calc R U . . .
C213 C 0.58220(14) 0.63105(13) 0.20194(11) 0.0219(5) Uani 1 1 d . . . . .
H21G H 0.625645 0.594789 0.188693 0.026 Uiso 1 1 calc R U . . .
H21H H 0.531722 0.597966 0.221535 0.026 Uiso 1 1 calc R U . . .
C214 C 0.63415(14) 0.69513(13) 0.25514(11) 0.0222(5) Uani 1 1 d . . . . .
H21I H 0.592863 0.734357 0.266276 0.027 Uiso 1 1 calc R U . . .
H21J H 0.654038 0.669758 0.296953 0.027 Uiso 1 1 calc R U . . .
C215 C 0.77341(15) 0.78749(14) 0.28142(11) 0.0251(5) Uani 1 1 d . . . . .
H21K H 0.793840 0.755532 0.319075 0.030 Uiso 1 1 calc R U . . .
H21L H 0.739369 0.829043 0.299445 0.030 Uiso 1 1 calc R U . . .
C216 C 0.85658(15) 0.82750(13) 0.25243(11) 0.0251(5) Uani 1 1 d . . . . .
H21M H 0.904128 0.855460 0.289352 0.030 Uiso 1 1 calc R U . . .
H21N H 0.884670 0.786244 0.227947 0.030 Uiso 1 1 calc R U . . .
C217 C 0.90632(15) 0.92335(14) 0.17846(12) 0.0300(6) Uani 1 1 d . . . . .
H21O H 0.932490 0.882754 0.151692 0.036 Uiso 1 1 calc R U . . .
H21P H 0.955613 0.949507 0.214997 0.036 Uiso 1 1 calc R U . . .
C218 C 0.87491(16) 0.98617(14) 0.13344(13) 0.0338(6) Uani 1 1 d . . . . .
H21Q H 0.841405 1.022005 0.159257 0.041 Uiso 1 1 calc R U . . .
H21R H 0.930588 1.019942 0.120582 0.041 Uiso 1 1 calc R U . . .
K21 K 0.67641(3) 0.80666(3) 0.10464(2) 0.01753(9) Uani 1 1 d . . . . .
N201 N 0.54130(11) 0.66560(10) 0.14104(8) 0.0177(4) Uani 1 1 d . . . . .
N202 N 0.81337(12) 0.95058(11) 0.07145(10) 0.0262(4) Uani 1 1 d . . . . .
O201 O 0.64042(9) 0.66200(9) 0.02050(7) 0.0192(3) Uani 1 1 d . . . . .
O202 O 0.78377(10) 0.79029(9) -0.00083(8) 0.0255(3) Uani 1 1 d . . . . .
O203 O 0.49328(10) 0.82835(9) 0.12018(7) 0.0226(3) Uani 1 1 d . . . . .
O204 O 0.60931(10) 0.95627(9) 0.07070(8) 0.0241(3) Uani 1 1 d . . . . .
O205 O 0.71383(9) 0.73582(9) 0.22965(7) 0.0202(3) Uani 1 1 d . . . . .
O206 O 0.82812(10) 0.88454(9) 0.20710(8) 0.0242(3) Uani 1 1 d . . . . .
C301 C 0.16261(12) 0.63274(12) 0.18450(10) 0.0131(4) Uani 1 1 d . . . . .
C302 C 0.18087(12) 0.71802(12) 0.18371(10) 0.0139(4) Uani 1 1 d . . . . .
C303 C 0.13686(13) 0.77480(12) 0.14707(10) 0.0158(4) Uani 1 1 d . . . . .
C304 C 0.17627(13) 0.85550(12) 0.15402(10) 0.0162(4) Uani 1 1 d . . . . .
C305 C 0.26081(13) 0.88277(12) 0.19821(10) 0.0148(4) Uani 1 1 d . . . . .
C306 C 0.30241(13) 0.82961(12) 0.23683(10) 0.0149(4) Uani 1 1 d . . . . .
C307 C 0.26340(12) 0.74663(12) 0.23146(10) 0.0128(4) Uani 1 1 d . . . . .
C308 C 0.29203(12) 0.67803(11) 0.26106(10) 0.0129(4) Uani 1 1 d . . . . .
C309 C 0.39540(12) 0.61507(11) 0.33507(10) 0.0131(4) Uani 1 1 d . . . . .
C310 C 0.48141(12) 0.61651(12) 0.38328(10) 0.0133(4) Uani 1 1 d . . . . .
C311 C 0.54786(13) 0.68037(12) 0.41481(10) 0.0146(4) Uani 1 1 d . . . . .
C312 C 0.62643(12) 0.66301(12) 0.45528(10) 0.0153(4) Uani 1 1 d . . . . .
C313 C 0.63628(12) 0.58326(12) 0.46686(10) 0.0149(4) Uani 1 1 d . . . . .
C314 C 0.56889(13) 0.51909(12) 0.43613(10) 0.0145(4) Uani 1 1 d . . . . .
C315 C 0.49184(12) 0.53617(12) 0.39412(9) 0.0128(4) Uani 1 1 d . . . . .
C316 C 0.41023(12) 0.48274(12) 0.35574(9) 0.0125(4) Uani 1 1 d . . . . .
C317 C 0.31851(12) 0.35375(11) 0.32093(9) 0.0121(4) Uani 1 1 d . . . . .
C318 C 0.29848(12) 0.26890(12) 0.32390(9) 0.0122(4) Uani 1 1 d . . . . .
C319 C 0.34618(12) 0.21170(12) 0.35652(10) 0.0132(4) Uani 1 1 d . . . . .
C320 C 0.30610(13) 0.13194(12) 0.35138(10) 0.0140(4) Uani 1 1 d . . . . .
C321 C 0.21623(13) 0.10524(11) 0.31346(10) 0.0146(4) Uani 1 1 d . . . . .
C322 C 0.17130(12) 0.15877(12) 0.27720(10) 0.0143(4) Uani 1 1 d . . . . .
C323 C 0.21192(12) 0.24090(12) 0.28015(9) 0.0127(4) Uani 1 1 d . . . . .
C324 C 0.18365(12) 0.30951(11) 0.25029(10) 0.0124(4) Uani 1 1 d . . . . .
C325 C 0.08222(12) 0.37172(12) 0.17471(10) 0.0129(4) Uani 1 1 d . . . . .
C326 C -0.00120(12) 0.36945(12) 0.12378(10) 0.0136(4) Uani 1 1 d . . . . .
C327 C -0.06727(13) 0.30535(12) 0.09276(10) 0.0160(4) Uani 1 1 d . . . . .
C328 C -0.14257(13) 0.32204(12) 0.04821(10) 0.0165(4) Uani 1 1 d . . . . .
C329 C -0.14915(13) 0.40156(13) 0.03310(10) 0.0174(4) Uani 1 1 d . . . . .
C330 C -0.08005(13) 0.46535(12) 0.06176(10) 0.0153(4) Uani 1 1 d . . . . .
C331 C -0.00721(12) 0.44899(12) 0.10827(10) 0.0141(4) Uani 1 1 d . . . . .
C332 C 0.07324(12) 0.50300(12) 0.14782(9) 0.0133(4) Uani 1 1 d . . . . .
Cl1 Cl 0.16395(3) 0.00575(3) 0.31526(3) 0.01937(11) Uani 1 1 d . . . . .
Cl2 Cl 0.06391(3) 0.12524(3) 0.22974(3) 0.02212(11) Uani 1 1 d . . . . .
Cl31 Cl 0.03380(3) 0.74390(3) 0.09331(3) 0.02243(11) Uani 1 1 d . . . . .
Cl32 Cl 0.12429(4) 0.92530(3) 0.10863(3) 0.02536(12) Uani 1 1 d . . . . .
Cl33 Cl 0.31202(3) 0.98306(3) 0.20008(3) 0.01994(11) Uani 1 1 d . . . . .
Cl34 Cl 0.40598(3) 0.86395(3) 0.28894(3) 0.02108(11) Uani 1 1 d . . . . .
Cl35 Cl 0.53463(3) 0.77956(3) 0.40529(3) 0.02007(11) Uani 1 1 d . . . . .
Cl36 Cl 0.71390(3) 0.74078(3) 0.48872(3) 0.02059(11) Uani 1 1 d . . . . .
Cl37 Cl 0.73194(3) 0.56306(3) 0.51905(2) 0.01937(11) Uani 1 1 d . . . . .
Cl38 Cl 0.58365(3) 0.42103(3) 0.44820(3) 0.01985(11) Uani 1 1 d . . . . .
Cl39 Cl 0.45682(3) 0.24085(3) 0.40060(3) 0.01807(10) Uani 1 1 d . . . . .
Cl40 Cl 0.36536(3) 0.06073(3) 0.38904(3) 0.02065(11) Uani 1 1 d . . . . .
Cl43 Cl -0.05770(3) 0.20642(3) 0.10666(3) 0.02145(11) Uani 1 1 d . . . . .
Cl44 Cl -0.22778(3) 0.24392(3) 0.01196(3) 0.02406(12) Uani 1 1 d . . . . .
Cl45 Cl -0.24131(3) 0.42097(3) -0.02305(3) 0.02276(11) Uani 1 1 d . . . . .
Cl46 Cl -0.08513(3) 0.56185(3) 0.03923(3) 0.01970(11) Uani 1 1 d . . . . .
Cl47 Cl 0.13772(3) 0.51037(3) 0.34187(2) 0.01750(10) Uani 1 1 d . . . . .
Cl48 Cl 0.34213(3) 0.47832(3) 0.16623(3) 0.01936(11) Uani 1 1 d . . . . .
N301 N 0.23047(10) 0.61141(9) 0.23140(8) 0.0129(3) Uani 1 1 d . . . . .
N302 N 0.36828(10) 0.67832(10) 0.30945(8) 0.0131(3) Uani 1 1 d . . . . .
N303 N 0.35567(10) 0.53398(10) 0.32298(8) 0.0139(3) Uani 1 1 d . . . . .
N304 N 0.39522(10) 0.40456(10) 0.35531(8) 0.0123(3) Uani 1 1 d . . . . .
N305 N 0.24822(10) 0.37561(9) 0.27662(8) 0.0127(3) Uani 1 1 d . . . . .
N306 N 0.10676(10) 0.30888(10) 0.20277(8) 0.0132(3) Uani 1 1 d . . . . .
N307 N 0.12376(10) 0.45231(10) 0.18488(8) 0.0142(3) Uani 1 1 d . . . . .
N308 N 0.08980(10) 0.58114(10) 0.14662(8) 0.0141(3) Uani 1 1 d . . . . .
Sn31 Sn 0.23983(2) 0.49343(2) 0.25371(2) 0.01128(4) Uani 1 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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 0 1 0.0756
1 0 -1 0.0015
0 -1 0 0.1873
0 1 0 0.1274
-1 1 -2 0.2212
1 -1 2 0.2065
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
C42 C41 Cl41 120.42(17) . . ?
C42 C41 K21 108.76(13) . . ?
C46 C41 C42 120.3(2) . . ?
C46 C41 Cl41 119.23(18) . . ?
C46 C41 K21 88.62(13) . . ?
Cl41 C41 K21 73.53(7) . . ?
C41 C42 Cl42 120.83(17) . . ?
C41 C42 K21 59.46(11) . . ?
C43 C42 C41 120.0(2) . . ?
C43 C42 Cl42 119.16(17) . . ?
C43 C42 K21 112.82(14) . . ?
Cl42 C42 K21 97.45(7) . . ?
C42 C43 H43 120.3 . . ?
C42 C43 C44 119.4(2) . . ?
C42 C43 K21 56.82(12) . . ?
C44 C43 H43 120.3 . . ?
C44 C43 K21 88.97(14) . . ?
K21 C43 H43 124.0 . . ?
C43 C44 H44 119.7 . . ?
C43 C44 K21 79.90(13) . . ?
C45 C44 C43 120.5(2) . . ?
C45 C44 H44 119.7 . . ?
C45 C44 K21 62.82(12) . . ?
K21 C44 H44 129.6 . . ?
C44 C45 H45 120.0 . . ?
C44 C45 C46 120.0(2) . . ?
C44 C45 K21 106.58(13) . . ?
C46 C45 H45 120.0 . . ?
C46 C45 K21 54.36(12) . . ?
K21 C45 H45 107.3 . . ?
C41 C46 H46 120.1 . . ?
C41 C46 K21 78.02(12) . . ?
C45 C46 C41 119.7(2) . . ?
C45 C46 H46 120.1 . . ?
C45 C46 K21 114.82(14) . . ?
K21 C46 H46 77.8 . . ?
C41 Cl41 K21 89.23(7) . . ?
C42 Cl42 K21 68.08(7) . . ?
C52 C51 Cl51 120.26(17) . . ?
C52 C51 K21 72.08(12) . 2_675 ?
C52 C51 K21 40.60(11) . . ?
C56 C51 C52 120.0(2) . . ?
C56 C51 Cl51 119.73(18) . . ?
C56 C51 K21 131.96(12) . 2_675 ?
C56 C51 K21 140.17(14) . . ?
Cl51 C51 K21 90.03(7) . . ?
Cl51 C51 K21 68.50(7) . 2_675 ?
K21 C51 K21 81.39(2) . 2_675 ?
C51 C52 Cl52 120.43(17) . . ?
C51 C52 K21 98.85(12) . 2_675 ?
C51 C52 K21 128.42(13) . . ?
C51 C52 K21 97.95(13) . 2_665 ?
C53 C52 C51 120.1(2) . . ?
C53 C52 Cl52 119.51(18) . . ?
C53 C52 K21 30.64(13) . 2_665 ?
C53 C52 K21 99.44(14) . . ?
C53 C52 K21 116.49(13) . 2_675 ?
Cl52 C52 K21 52.46(6) . 2_675 ?
Cl52 C52 K21 136.31(8) . 2_665 ?
Cl52 C52 K21 38.67(5) . . ?
K21 C52 K21 101.71(3) . 2_665 ?
K21 C52 K21 90.54(3) . 2_675 ?
K21 C52 K21 146.02(3) 2_675 2_665 ?
C52 C53 H53 120.2 . . ?
C52 C53 K21 55.68(12) . 2_675 ?
C52 C53 K21 144.27(14) . 2_665 ?
C52 C53 K21 65.22(12) . . ?
C54 C53 C52 119.6(2) . . ?
C54 C53 H53 120.2 . . ?
C54 C53 K21 129.73(14) . 2_675 ?
C54 C53 K21 148.15(15) . . ?
C54 C53 K21 41.91(13) . 2_665 ?
K21 C53 H53 64.7 . . ?
K21 C53 H53 86.2 2_665 . ?
K21 C53 H53 85.7 2_675 . ?
K21 C53 K21 113.92(3) . 2_665 ?
K21 C53 K21 158.23(3) 2_665 2_675 ?
K21 C53 K21 80.43(3) . 2_675 ?
C53 C54 H54 119.7 . . ?
C53 C54 C55 120.6(2) . . ?
C53 C54 K21 130.55(15) . 2_665 ?
C53 C54 K21 25.32(12) . . ?
C55 C54 H54 119.7 . . ?
C55 C54 K21 99.93(15) . 2_665 ?
C55 C54 K21 117.57(15) . . ?
K21 C54 H54 33.9 2_665 . ?
K21 C54 H54 116.4 . . ?
K21 C54 K21 112.26(3) . 2_665 ?
C54 C55 H55 120.0 . . ?
C54 C55 K21 52.48(13) . . ?
C54 C55 K21 69.37(14) . 2_665 ?
C56 C55 C54 120.1(2) . . ?
C56 C55 H55 120.0 . . ?
C56 C55 K21 152.07(14) . 2_665 ?
C56 C55 K21 72.88(14) . . ?
K21 C55 H55 154.7 . . ?
K21 C55 H55 57.9 2_665 . ?
K21 C55 K21 100.09(3) . 2_665 ?
C51 C56 H56 120.2 . . ?
C51 C56 K21 32.37(12) . . ?
C51 C56 K21 121.95(14) . 2_665 ?
C55 C56 C51 119.7(2) . . ?
C55 C56 H56 120.2 . . ?
C55 C56 K21 23.63(12) . 2_665 ?
C55 C56 K21 96.04(15) . . ?
K21 C56 H56 112.7 2_665 . ?
K21 C56 H56 137.4 . . ?
K21 C56 K21 91.19(3) . 2_665 ?
C51 Cl51 K21 73.16(7) . . ?
C51 Cl51 K21 100.25(7) . 2_675 ?
K21 Cl51 K21 84.254(8) . 2_675 ?
C52 Cl52 K21 116.93(7) . 2_675 ?
C52 Cl52 K21 123.64(7) . . ?
K21 Cl52 K21 118.416(13) . 2_675 ?
H10A C101 H10B 107.7 . . ?
C102 C101 H10A 108.9 . . ?
C102 C101 H10B 108.9 . . ?
N101 C101 H10A 108.9 . . ?
N101 C101 H10B 108.9 . . ?
N101 C101 C102 113.47(16) . . ?
C101 C102 H10C 110.0 . . ?
C101 C102 H10D 110.0 . . ?
H10C C102 H10D 108.3 . . ?
O101 C102 C101 108.67(16) . . ?
O101 C102 H10C 110.0 . . ?
O101 C102 H10D 110.0 . . ?
H10E C103 H10F 108.3 . . ?
C104 C103 H10E 109.8 . . ?
C104 C103 H10F 109.8 . . ?
O101 C103 H10E 109.8 . . ?
O101 C103 H10F 109.8 . . ?
O101 C103 C104 109.30(17) . . ?
C103 C104 H10G 110.0 . . ?
C103 C104 H10H 110.0 . . ?
H10G C104 H10H 108.4 . . ?
O102 C104 C103 108.57(17) . . ?
O102 C104 H10G 110.0 . . ?
O102 C104 H10H 110.0 . . ?
H10I C105 H10J 108.3 . . ?
C106 C105 H10I 109.9 . . ?
C106 C105 H10J 109.9 . . ?
O102 C105 H10I 109.9 . . ?
O102 C105 H10J 109.9 . . ?
O102 C105 C106 108.86(16) . . ?
C105 C106 H10K 108.8 . . ?
C105 C106 H10L 108.8 . . ?
C105 C106 K21 145.78(12) . 2_676 ?
H10K C106 H10L 107.7 . . ?
N102 C106 C105 113.81(16) . . ?
N102 C106 H10K 108.8 . . ?
N102 C106 H10L 108.8 . . ?
N102 C106 K21 31.98(9) . 2_676 ?
K21 C106 H10K 91.0 2_676 . ?
K21 C106 H10L 90.3 2_676 . ?
H10M C107 H10N 107.7 . . ?
C108 C107 H10M 108.8 . . ?
C108 C107 H10N 108.8 . . ?
N101 C107 H10M 108.8 . . ?
N101 C107 H10N 108.8 . . ?
N101 C107 C108 113.78(17) . . ?
C107 C108 H10O 109.9 . . ?
C107 C108 H10P 109.9 . . ?
C107 C108 K21 147.34(12) . 2_676 ?
H10O C108 H10P 108.3 . . ?
O103 C108 C107 108.90(17) . . ?
O103 C108 H10O 109.9 . . ?
O103 C108 H10P 109.9 . . ?
O103 C108 K21 54.77(10) . 2_676 ?
K21 C108 H10O 61.0 2_676 . ?
K21 C108 H10P 102.6 2_676 . ?
H10Q C109 H10R 108.3 . . ?
C110 C109 H10Q 110.0 . . ?
C110 C109 H10R 110.0 . . ?
C110 C109 K21 75.47(11) . 1_556 ?
C110 C109 K21 69.02(12) . 2_676 ?
O103 C109 H10Q 110.0 . . ?
O103 C109 H10R 110.0 . . ?
O103 C109 C110 108.66(17) . . ?
O103 C109 K21 147.89(12) . 1_556 ?
O103 C109 K21 132.72(12) . 2_676 ?
K21 C109 H10Q 115.0 2_676 . ?
K21 C109 H10Q 43.1 1_556 . ?
K21 C109 H10R 41.9 2_676 . ?
K21 C109 H10R 97.6 1_556 . ?
K21 C109 K21 79.09(2) 2_676 1_556 ?
C109 C110 H11A 109.8 . . ?
C109 C110 H11B 109.8 . . ?
C109 C110 K21 94.01(11) . 1_556 ?
C109 C110 K21 98.75(13) . 2_676 ?
H11A C110 H11B 108.3 . . ?
O104 C110 C109 109.32(16) . . ?
O104 C110 H11A 109.8 . . ?
O104 C110 H11B 109.8 . . ?
O104 C110 K21 138.64(11) . 1_556 ?
O104 C110 K21 60.38(10) . 2_676 ?
K21 C110 H11A 57.9 2_676 . ?
K21 C110 H11A 28.8 1_556 . ?
K21 C110 H11B 151.4 2_676 . ?
K21 C110 H11B 92.6 1_556 . ?
K21 C110 K21 83.16(2) 2_676 1_556 ?
H11C C111 H11D 108.4 . . ?
C112 C111 H11C 110.1 . . ?
C112 C111 H11D 110.1 . . ?
C112 C111 K21 73.99(12) . 2_676 ?
C112 C111 K21 146.70(13) . 1_556 ?
O104 C111 H11C 110.1 . . ?
O104 C111 H11D 110.1 . . ?
O104 C111 C112 108.21(16) . . ?
O104 C111 K21 80.64(11) . 2_676 ?
O104 C111 K21 79.83(10) . 1_556 ?
K21 C111 H11C 165.7 2_676 . ?
K21 C111 H11C 96.3 1_556 . ?
K21 C111 H11D 39.8 1_556 . ?
K21 C111 H11D 57.9 2_676 . ?
K21 C111 K21 75.70(2) 2_676 1_556 ?
C111 C112 H11E 108.9 . . ?
C111 C112 H11F 108.9 . . ?
C111 C112 K21 91.67(12) . 2_676 ?
H11E C112 H11F 107.7 . . ?
N102 C112 C111 113.57(17) . . ?
N102 C112 H11E 108.9 . . ?
N102 C112 H11F 108.9 . . ?
N102 C112 K21 136.81(12) . 2_676 ?
K21 C112 H11E 28.0 2_676 . ?
K21 C112 H11F 93.8 2_676 . ?
H11G C113 H11H 107.7 . . ?
C114 C113 H11G 108.8 . . ?
C114 C113 H11H 108.8 . . ?
N101 C113 H11G 108.8 . . ?
N101 C113 H11H 108.8 . . ?
N101 C113 C114 113.84(16) . . ?
C113 C114 H11I 109.8 . . ?
C113 C114 H11J 109.8 . . ?
H11I C114 H11J 108.2 . . ?
O105 C114 C113 109.42(16) . . ?
O105 C114 H11I 109.8 . . ?
O105 C114 H11J 109.8 . . ?
H11K C115 H11L 108.4 . . ?
C116 C115 H11K 110.0 . . ?
C116 C115 H11L 110.0 . . ?
C116 C115 K21 31.28(11) . 2_676 ?
O105 C115 H11K 110.0 . . ?
O105 C115 H11L 110.0 . . ?
O105 C115 C116 108.35(16) . . ?
O105 C115 K21 81.83(10) . 2_676 ?
K21 C115 H11K 105.4 2_676 . ?
K21 C115 H11L 136.9 2_676 . ?
C115 C116 H11M 110.0 . . ?
C115 C116 H11N 110.0 . . ?
C115 C116 K21 142.77(13) . 2_676 ?
H11M C116 H11N 108.4 . . ?
O106 C116 C115 108.46(17) . . ?
O106 C116 H11M 110.0 . . ?
O106 C116 H11N 110.0 . . ?
O106 C116 K21 82.22(11) . 2_676 ?
K21 C116 H11M 98.6 2_676 . ?
K21 C116 H11N 35.8 2_676 . ?
H11O C117 H11P 108.3 . . ?
C118 C117 H11O 109.9 . . ?
C118 C117 H11P 109.9 . . ?
C118 C117 K21 104.05(12) . 2_676 ?
O106 C117 H11O 109.9 . . ?
O106 C117 H11P 109.9 . . ?
O106 C117 C118 108.88(17) . . ?
O106 C117 K21 131.76(12) . 2_676 ?
K21 C117 H11O 23.5 2_676 . ?
K21 C117 H11P 90.1 2_676 . ?
C117 C118 H11Q 109.1 . . ?
C117 C118 H11R 109.1 . . ?
C117 C118 K21 63.81(11) . 2_676 ?
H11Q C118 H11R 107.8 . . ?
N102 C118 C117 112.62(17) . . ?
N102 C118 H11Q 109.1 . . ?
N102 C118 H11R 109.1 . . ?
N102 C118 K21 85.69(11) . 2_676 ?
K21 C118 H11Q 165.2 2_676 . ?
K21 C118 H11R 65.3 2_676 . ?
N101 K11 N102 179.24(5) . . ?
N101 K11 K21 122.05(3) . 2_676 ?
N102 K11 K21 57.49(3) . 2_676 ?
O101 K11 N101 60.34(4) . . ?
O101 K11 N102 120.18(4) . . ?
O101 K11 O102 60.22(4) . . ?
O101 K11 O104 139.28(4) . . ?
O101 K11 O106 117.54(4) . . ?
O101 K11 K21 174.70(3) . 2_676 ?
O102 K11 N101 120.15(5) . . ?
O102 K11 N102 60.44(4) . . ?
O102 K11 O104 100.29(4) . . ?
O102 K11 O106 93.23(4) . . ?
O102 K11 K21 116.62(3) . 2_676 ?
O103 K11 N101 60.86(4) . . ?
O103 K11 N102 119.31(4) . . ?
O103 K11 O101 100.92(4) . . ?
O103 K11 O102 126.16(4) . . ?
O103 K11 O104 59.90(4) . . ?
O103 K11 O105 99.55(4) . . ?
O103 K11 O106 135.75(4) . . ?
O103 K11 K21 77.40(3) . 2_676 ?
O104 K11 N101 120.26(4) . . ?
O104 K11 N102 59.81(4) . . ?
O104 K11 O106 97.59(4) . . ?
O104 K11 K21 35.62(3) . 2_676 ?
O105 K11 N101 61.39(4) . . ?
O105 K11 N102 117.89(4) . . ?
O105 K11 O101 94.26(4) . . ?
O105 K11 O102 129.51(4) . . ?
O105 K11 O104 122.74(4) . . ?
O105 K11 O106 58.80(4) . . ?
O105 K11 K21 90.99(3) . 2_676 ?
O106 K11 N101 119.77(4) . . ?
O106 K11 N102 59.55(4) . . ?
O106 K11 K21 66.04(3) . 2_676 ?
C101 N101 C107 109.45(16) . . ?
C101 N101 C113 110.35(15) . . ?
C101 N101 K11 110.70(12) . . ?
C107 N101 C113 109.92(16) . . ?
C107 N101 K11 108.90(11) . . ?
C113 N101 K11 107.49(11) . . ?
C106 N102 K11 107.65(11) . . ?
C106 N102 K21 141.61(11) . 2_676 ?
C112 N102 C106 109.40(15) . . ?
C112 N102 C118 109.46(16) . . ?
C112 N102 K11 109.72(11) . . ?
C112 N102 K21 34.91(10) . 2_676 ?
C118 N102 C106 110.04(16) . . ?
C118 N102 K11 110.54(11) . . ?
C118 N102 K21 82.19(11) . 2_676 ?
K11 N102 K21 100.97(4) . 2_676 ?
C102 O101 K11 115.67(12) . . ?
C103 O101 C102 111.16(15) . . ?
C103 O101 K11 115.47(11) . . ?
C104 O102 K11 113.62(11) . . ?
C105 O102 C104 110.63(15) . . ?
C105 O102 K11 116.95(12) . . ?
C108 O103 K11 117.11(11) . . ?
C108 O103 K21 116.86(11) . 2_676 ?
C109 O103 C108 111.61(16) . . ?
C109 O103 K11 117.26(11) . . ?
C109 O103 K21 39.79(10) . 2_676 ?
K11 O103 K21 82.68(3) . 2_676 ?
C110 O104 K11 109.87(11) . . ?
C110 O104 K21 107.69(11) . 2_676 ?
C110 O104 K21 35.37(10) . 1_556 ?
C111 O104 C110 110.58(14) . . ?
C111 O104 K11 112.24(11) . . ?
C111 O104 K21 85.85(11) . 2_676 ?
C111 O104 K21 91.25(10) . 1_556 ?
K11 O104 K21 127.98(4) . 2_676 ?
K11 O104 K21 145.02(4) . 1_556 ?
K21 O104 K21 77.140(15) 2_676 1_556 ?
C114 O105 K11 116.31(11) . . ?
C114 O105 K21 148.28(11) . 2_676 ?
C115 O105 C114 111.55(15) . . ?
C115 O105 K11 117.72(11) . . ?
C115 O105 K21 88.84(11) . 2_676 ?
K11 O105 K21 70.09(3) . 2_676 ?
C116 O106 K11 111.15(11) . . ?
C116 O106 K21 86.82(11) . 2_676 ?
C117 O106 C116 111.79(15) . . ?
C117 O106 K11 110.26(11) . . ?
C117 O106 K21 40.07(10) . 2_676 ?
K11 O106 K21 92.66(3) . 2_676 ?
H20A C201 H20B 107.7 . . ?
C202 C201 H20A 108.9 . . ?
C202 C201 H20B 108.9 . . ?
C202 C201 K21 74.40(11) . . ?
C202 C201 K21 82.67(11) . 2_665 ?
K21 C201 H20A 94.5 . . ?
K21 C201 H20A 79.8 2_665 . ?
K21 C201 H20B 154.3 . . ?
K21 C201 H20B 47.9 2_665 . ?
K21 C201 K21 153.21(5) . 2_665 ?
N201 C201 H20A 108.9 . . ?
N201 C201 H20B 108.9 . . ?
N201 C201 C202 113.33(16) . . ?
N201 C201 K21 156.49(12) . 2_665 ?
N201 C201 K21 49.90(9) . . ?
C201 C202 H20C 109.7 . . ?
C201 C202 H20D 109.7 . . ?
C201 C202 K21 82.23(12) . . ?
C201 C202 K21 85.96(11) . 2_665 ?
H20C C202 H20D 108.2 . . ?
K21 C202 H20C 88.8 . . ?
K21 C202 H20C 108.4 2_665 . ?
K21 C202 H20D 153.3 . . ?
K21 C202 H20D 26.0 2_665 . ?
K21 C202 K21 161.72(5) . 2_665 ?
O201 C202 C201 109.69(17) . . ?
O201 C202 H20C 109.7 . . ?
O201 C202 H20D 109.7 . . ?
O201 C202 K21 43.82(9) . . ?
O201 C202 K21 130.08(12) . 2_665 ?
H20E C203 H20F 108.1 . . ?
C204 C203 H20E 109.6 . . ?
C204 C203 H20F 109.6 . . ?
C204 C203 K21 81.61(13) . . ?
C204 C203 K21 134.68(13) . 2_665 ?
K21 C203 H20E 38.0 2_665 . ?
K21 C203 H20E 157.8 . . ?
K21 C203 H20F 84.7 . . ?
K21 C203 H20F 111.2 2_665 . ?
K21 C203 K21 120.86(4) . 2_665 ?
O201 C203 H20E 109.6 . . ?
O201 C203 H20F 109.6 . . ?
O201 C203 C204 110.21(17) . . ?
O201 C203 K21 73.35(11) . 2_665 ?
O201 C203 K21 48.20(9) . . ?
C203 C204 H20G 110.0 . . ?
C203 C204 H20H 110.0 . . ?
C203 C204 K21 74.56(12) . . ?
H20G C204 H20H 108.4 . . ?
K21 C204 H20G 150.1 . . ?
K21 C204 H20H 96.8 . . ?
O202 C204 C203 108.51(18) . . ?
O202 C204 H20G 110.0 . . ?
O202 C204 H20H 110.0 . . ?
O202 C204 K21 44.11(9) . . ?
H20I C205 H20J 108.4 . . ?
C206 C205 H20I 110.1 . . ?
C206 C205 H20J 110.1 . . ?
C206 C205 K21 82.42(13) . . ?
C206 C205 K21 58.02(12) . 2_775 ?
K21 C205 H20I 105.5 2_775 . ?
K21 C205 H20I 89.4 . . ?
K21 C205 H20J 56.7 2_775 . ?
K21 C205 H20J 151.8 . . ?
K21 C205 K21 140.36(5) . 2_775 ?
O202 C205 H20I 110.1 . . ?
O202 C205 H20J 110.1 . . ?
O202 C205 C206 107.99(18) . . ?
O202 C205 K21 41.95(10) . . ?
O202 C205 K21 144.44(11) . 2_775 ?
C205 C206 H20K 108.7 . . ?
C205 C206 H20L 108.7 . . ?
C205 C206 K21 113.03(13) . 2_775 ?
C205 C206 K21 74.46(12) . . ?
H20K C206 H20L 107.6 . . ?
K21 C206 H20K 96.2 . . ?
K21 C206 H20K 79.3 2_775 . ?
K21 C206 H20L 152.8 . . ?
K21 C206 H20L 29.1 2_775 . ?
K21 C206 K21 172.11(5) . 2_775 ?
N202 C206 C205 114.13(18) . . ?
N202 C206 H20K 108.7 . . ?
N202 C206 H20L 108.7 . . ?
N202 C206 K21 125.79(12) . 2_775 ?
N202 C206 K21 49.43(10) . . ?
H20M C207 H20N 107.7 . . ?
C208 C207 H20M 108.9 . . ?
C208 C207 H20N 108.9 . . ?
C208 C207 K21 73.16(11) . . ?
K21 C207 H20M 97.1 . . ?
K21 C207 H20N 152.2 . . ?
N201 C207 H20M 108.9 . . ?
N201 C207 H20N 108.9 . . ?
N201 C207 C208 113.23(17) . . ?
N201 C207 K21 49.37(9) . . ?
C207 C208 H20O 109.8 . . ?
C207 C208 H20P 109.8 . . ?
C207 C208 K21 83.52(11) . . ?
C207 C208 K21 168.52(13) . 2_675 ?
H20O C208 H20P 108.2 . . ?
K21 C208 H20O 80.0 2_675 . ?
K21 C208 H20O 86.3 . . ?
K21 C208 H20P 154.3 . . ?
K21 C208 H20P 71.4 2_675 . ?
K21 C208 K21 91.28(4) . 2_675 ?
O203 C208 C207 109.38(17) . . ?
O203 C208 H20O 109.8 . . ?
O203 C208 H20P 109.8 . . ?
O203 C208 K21 44.54(8) . . ?
O203 C208 K21 60.46(10) . 2_675 ?
H20Q C209 H20R 108.3 . . ?
C210 C209 H20Q 109.9 . . ?
C210 C209 H20R 109.9 . . ?
C210 C209 K21 77.67(12) . . ?
C210 C209 K21 71.33(13) . 2_675 ?
K21 C209 H20Q 149.5 . . ?
K21 C209 H20Q 79.0 2_675 . ?
K21 C209 H20R 61.4 2_675 . ?
K21 C209 H20R 95.7 . . ?
K21 C209 K21 130.13(5) . 2_675 ?
O203 C209 H20Q 109.9 . . ?
O203 C209 H20R 109.9 . . ?
O203 C209 C210 108.96(19) . . ?
O203 C209 K21 169.73(13) . 2_675 ?
O203 C209 K21 42.23(9) . . ?
C209 C210 H21A 109.8 . . ?
C209 C210 H21B 109.8 . . ?
C209 C210 K21 96.26(14) . 2_675 ?
C209 C210 K21 79.00(12) . . ?
H21A C210 H21B 108.2 . . ?
K21 C210 H21A 156.9 . . ?
K21 C210 H21A 21.7 2_675 . ?
K21 C210 H21B 129.8 2_675 . ?
K21 C210 H21B 87.5 . . ?
K21 C210 K21 140.57(6) . 2_675 ?
O204 C210 C209 109.44(18) . . ?
O204 C210 H21A 109.8 . . ?
O204 C210 H21B 109.8 . . ?
O204 C210 K21 47.68(9) . . ?
O204 C210 K21 100.17(12) . 2_675 ?
H21C C211 H21D 108.2 . . ?
C212 C211 H21C 109.8 . . ?
C212 C211 H21D 109.8 . . ?
C212 C211 K21 114.89(13) . 2_675 ?
C212 C211 K21 81.01(12) . . ?
K21 C211 H21C 87.8 . . ?
K21 C211 H21C 126.9 2_675 . ?
K21 C211 H21D 155.1 . . ?
K21 C211 H21D 29.6 2_675 . ?
K21 C211 K21 125.60(5) . 2_675 ?
O204 C211 H21C 109.8 . . ?
O204 C211 H21D 109.8 . . ?
O204 C211 C212 109.59(19) . . ?
O204 C211 K21 81.03(11) . 2_675 ?
O204 C211 K21 45.68(9) . . ?
C211 C212 H21E 108.8 . . ?
C211 C212 H21F 108.8 . . ?
C211 C212 K21 55.02(12) . 2_675 ?
C211 C212 K21 150.70(13) . 2_775 ?
C211 C212 K21 75.88(12) . . ?
H21E C212 H21F 107.7 . . ?
K21 C212 H21E 88.1 2_775 . ?
K21 C212 H21E 92.6 . . ?
K21 C212 H21E 64.4 2_675 . ?
K21 C212 H21F 92.8 2_675 . ?
K21 C212 H21F 155.6 . . ?
K21 C212 H21F 42.1 2_775 . ?
K21 C212 K21 108.55(4) . 2_675 ?
K21 C212 K21 117.80(3) 2_675 2_775 ?
K21 C212 K21 128.46(5) . 2_775 ?
N202 C212 C211 113.70(19) . . ?
N202 C212 H21E 108.8 . . ?
N202 C212 H21F 108.8 . . ?
N202 C212 K21 81.17(11) . 2_775 ?
N202 C212 K21 50.03(10) . . ?
N202 C212 K21 158.35(12) . 2_675 ?
H21G C213 H21H 107.8 . . ?
C214 C213 H21G 109.1 . . ?
C214 C213 H21H 109.1 . . ?
C214 C213 K21 74.58(11) . . ?
K21 C213 H21G 95.7 . . ?
K21 C213 H21H 152.7 . . ?
N201 C213 H21G 109.1 . . ?
N201 C213 H21H 109.1 . . ?
N201 C213 C214 112.69(17) . . ?
N201 C213 K21 48.36(9) . . ?
C213 C214 H21I 109.9 . . ?
C213 C214 H21J 109.9 . . ?
C213 C214 K21 82.26(11) . . ?
H21I C214 H21J 108.3 . . ?
K21 C214 H21I 87.8 . . ?
K21 C214 H21J 153.9 . . ?
O205 C214 C213 108.85(17) . . ?
O205 C214 H21I 109.9 . . ?
O205 C214 H21J 109.9 . . ?
O205 C214 K21 44.09(9) . . ?
H21K C215 H21L 108.3 . . ?
C216 C215 H21K 109.9 . . ?
C216 C215 H21L 109.9 . . ?
C216 C215 K21 77.42(11) . . ?
K21 C215 H21K 152.5 . . ?
K21 C215 H21L 92.9 . . ?
O205 C215 H21K 109.9 . . ?
O205 C215 H21L 109.9 . . ?
O205 C215 C216 108.95(18) . . ?
O205 C215 K21 44.52(9) . . ?
C215 C216 H21M 109.8 . . ?
C215 C216 H21N 109.8 . . ?
C215 C216 K21 79.09(11) . . ?
H21M C216 H21N 108.3 . . ?
K21 C216 H21M 157.6 . . ?
K21 C216 H21N 86.7 . . ?
O206 C216 C215 109.23(17) . . ?
O206 C216 H21M 109.8 . . ?
O206 C216 H21N 109.8 . . ?
O206 C216 K21 48.17(9) . . ?
H21O C217 H21P 108.3 . . ?
C218 C217 H21O 109.9 . . ?
C218 C217 H21P 109.9 . . ?
C218 C217 K21 82.49(11) . . ?
K21 C217 H21O 84.9 . . ?
K21 C217 H21P 156.3 . . ?
O206 C217 H21O 109.9 . . ?
O206 C217 H21P 109.9 . . ?
O206 C217 C218 109.04(18) . . ?
O206 C217 K21 46.47(9) . . ?
C217 C218 H21Q 109.0 . . ?
C217 C218 H21R 109.0 . . ?
C217 C218 K21 74.42(11) . . ?
C217 C218 K21 111.94(14) . 2_775 ?
H21Q C218 H21R 107.8 . . ?
K21 C218 H21Q 120.9 2_775 . ?
K21 C218 H21Q 95.7 . . ?
K21 C218 H21R 18.1 2_775 . ?
K21 C218 H21R 153.0 . . ?
K21 C218 K21 135.08(6) . 2_775 ?
N202 C218 C217 113.08(19) . . ?
N202 C218 H21Q 109.0 . . ?
N202 C218 H21R 109.0 . . ?
N202 C218 K21 92.04(13) . 2_775 ?
N202 C218 K21 48.86(10) . . ?
N201 K21 C203 80.15(5) . . ?
N201 K21 N202 178.63(5) . . ?
N202 K21 C203 100.99(5) . . ?
O201 K21 C203 22.24(4) . . ?
O201 K21 N201 60.83(4) . . ?
O201 K21 N202 120.43(5) . . ?
O201 K21 O204 124.88(4) . . ?
O201 K21 O205 97.04(4) . . ?
O201 K21 O206 135.50(4) . . ?
O202 K21 C203 41.62(5) . . ?
O202 K21 N201 121.62(5) . . ?
O202 K21 N202 59.57(5) . . ?
O202 K21 O201 61.27(4) . . ?
O202 K21 O203 138.17(4) . . ?
O202 K21 O204 98.83(4) . . ?
O202 K21 O205 121.87(4) . . ?
O202 K21 O206 97.19(4) . . ?
O203 K21 C203 121.46(5) . . ?
O203 K21 N201 60.69(4) . . ?
O203 K21 N202 119.04(5) . . ?
O203 K21 O201 100.18(4) . . ?
O203 K21 O204 59.38(4) . . ?
O203 K21 O205 96.05(4) . . ?
O203 K21 O206 118.45(5) . . ?
O204 K21 C203 127.38(5) . . ?
O204 K21 N201 119.67(4) . . ?
O204 K21 N202 60.25(5) . . ?
O204 K21 O206 95.03(4) . . ?
O205 K21 C203 99.69(5) . . ?
O205 K21 N201 59.82(4) . . ?
O205 K21 N202 119.11(4) . . ?
O205 K21 O204 132.83(4) . . ?
O205 K21 O206 59.83(4) . . ?
O206 K21 C203 118.21(5) . . ?
O206 K21 N201 118.96(4) . . ?
O206 K21 N202 59.85(4) . . ?
C201 N201 C207 110.13(15) . . ?
C201 N201 C213 109.90(16) . . ?
C201 N201 K21 19.76(10) . 2_665 ?
C201 N201 K21 108.28(12) . . ?
C207 N201 K21 102.20(11) . 2_665 ?
C207 N201 K21 108.92(12) . . ?
C213 N201 C207 109.28(16) . . ?
C213 N201 K21 96.96(11) . 2_665 ?
C213 N201 K21 110.30(11) . . ?
K21 N201 K21 127.81(4) . 2_665 ?
C206 N202 C212 110.01(18) . . ?
C206 N202 C218 109.50(18) . . ?
C206 N202 K21 46.72(11) . 2_775 ?
C206 N202 K21 109.12(13) . . ?
C206 N202 K21 115.09(12) . 2_675 ?
C212 N202 K21 89.65(11) . 2_775 ?
C212 N202 K21 108.23(12) . . ?
C212 N202 K21 18.24(10) . 2_675 ?
C218 N202 C212 110.12(18) . . ?
C218 N202 K21 120.92(13) . 2_675 ?
C218 N202 K21 109.84(13) . . ?
C218 N202 K21 78.70(12) . 2_775 ?
K21 N202 K21 154.92(5) . 2_775 ?
K21 N202 K21 90.21(4) . 2_675 ?
K21 N202 K21 105.802(18) 2_775 2_675 ?
C202 O201 C203 110.02(15) . . ?
C202 O201 K21 42.62(10) . 2_665 ?
C202 O201 K21 115.67(12) . . ?
C203 O201 K21 97.47(11) . 2_665 ?
C203 O201 K21 109.56(12) . . ?
K21 O201 K21 151.33(4) . 2_665 ?
C204 O202 K21 115.21(12) . . ?
C205 O202 C204 112.97(17) . . ?
C205 O202 K21 118.22(13) . . ?
C208 O203 K21 114.63(11) . . ?
C208 O203 K21 110.95(10) . 2_675 ?
C209 O203 C208 111.21(16) . . ?
C209 O203 K21 117.90(12) . . ?
C209 O203 K21 8.52(11) . 2_675 ?
K21 O203 K21 111.77(3) . 2_675 ?
C210 O204 K21 68.18(12) . 2_675 ?
C210 O204 K21 111.06(12) . . ?
C211 O204 C210 111.67(18) . . ?
C211 O204 K21 113.92(12) . . ?
C211 O204 K21 87.36(11) . 2_675 ?
K21 O204 K21 155.73(4) . 2_675 ?
C214 O205 K21 115.57(11) . . ?
C215 O205 C214 111.08(16) . . ?
C215 O205 K21 115.03(12) . . ?
C216 O206 C217 110.31(16) . . ?
C216 O206 K21 110.46(11) . . ?
C217 O206 K21 112.71(12) . . ?
K21 C301 K21 130.17(2) . 1_455 ?
C302 C301 K21 70.26(10) . 1_455 ?
C302 C301 K21 65.67(10) . . ?
N301 C301 K21 68.76(10) . . ?
N301 C301 K21 148.99(11) . 1_455 ?
N301 C301 C302 106.87(16) . . ?
N308 C301 K21 63.56(9) . 1_455 ?
N308 C301 K21 131.48(11) . . ?
N308 C301 C302 126.48(16) . . ?
N308 C301 N301 126.64(17) . . ?
K21 C302 K21 146.06(3) . 1_455 ?
C301 C302 K21 99.82(10) . 1_455 ?
C301 C302 K21 104.50(11) . . ?
C301 C302 C307 107.27(16) . . ?
C303 C302 K21 44.07(10) . 1_455 ?
C303 C302 K21 102.38(11) . . ?
C303 C302 C301 133.73(17) . . ?
C303 C302 C307 119.00(17) . . ?
C307 C302 K21 53.40(10) . . ?
C307 C302 K21 138.55(12) . 1_455 ?
K21 C303 K21 96.44(2) 1_455 2_675 ?
K21 C303 K21 68.470(16) . 2_675 ?
K21 C303 K21 163.89(3) 1_455 . ?
C302 C303 K21 67.65(10) . . ?
C302 C303 K21 127.59(11) . 1_455 ?
C302 C303 K21 135.96(11) . 2_675 ?
C302 C303 Cl31 120.49(15) . . ?
C304 C303 K21 100.59(11) . 1_455 ?
C304 C303 K21 38.68(11) . 2_675 ?
C304 C303 K21 71.48(11) . . ?
C304 C303 C302 120.01(17) . . ?
C304 C303 Cl31 119.51(15) . . ?
Cl31 C303 K21 93.07(7) . 2_675 ?
Cl31 C303 K21 37.35(6) . 1_455 ?
Cl31 C303 K21 134.19(8) . . ?
K21 C304 K21 161.04(3) 1_455 . ?
K21 C304 K21 103.11(2) 1_455 2_675 ?
K21 C304 K21 75.703(18) . 2_675 ?
C303 C304 K21 68.50(11) . 1_455 ?
C303 C304 K21 98.68(11) . . ?
C303 C304 K21 135.23(13) . 2_675 ?
C303 C304 C305 120.74(17) . . ?
C303 C304 Cl32 120.53(15) . . ?
C305 C304 K21 90.48(11) . 2_675 ?
C305 C304 K21 50.97(10) . . ?
C305 C304 K21 147.46(12) . 1_455 ?
C305 C304 Cl32 118.72(15) . . ?
Cl32 C304 K21 62.18(6) . 1_455 ?
Cl32 C304 K21 42.51(6) . 2_675 ?
Cl32 C304 K21 118.11(8) . . ?
K21 C305 K21 79.182(19) . 2_675 ?
K21 C305 K21 92.045(19) 2_675 1_455 ?
K21 C305 K21 146.75(3) . 1_455 ?
C304 C305 K21 79.59(11) . 2_675 ?
C304 C305 K21 27.31(10) . 1_455 ?
C304 C305 K21 119.73(12) . . ?
C304 C305 Cl33 118.83(14) . . ?
C306 C305 K21 65.95(11) . . ?
C306 C305 K21 144.93(12) . 2_675 ?
C306 C305 K21 119.05(12) . 1_455 ?
C306 C305 C304 120.37(18) . . ?
C306 C305 Cl33 120.76(15) . . ?
Cl33 C305 K21 48.10(6) . 2_675 ?
Cl33 C305 K21 114.02(7) . 1_455 ?
Cl33 C305 K21 83.75(6) . . ?
K21 C306 K21 139.30(3) . 1_455 ?
C305 C306 K21 53.42(11) . 1_455 ?
C305 C306 K21 102.78(12) . . ?
C305 C306 C307 120.31(17) . . ?
C305 C306 Cl34 119.41(15) . . ?
C307 C306 K21 99.73(11) . . ?
C307 C306 K21 73.96(10) . 1_455 ?
C307 C306 Cl34 120.20(14) . . ?
Cl34 C306 K21 153.62(8) . 1_455 ?
Cl34 C306 K21 64.14(6) . . ?
K21 C307 K21 137.66(3) . 1_455 ?
C302 C307 K21 116.78(11) . . ?
C302 C307 K21 35.27(10) . 1_455 ?
C306 C307 K21 97.22(11) . 1_455 ?
C306 C307 K21 68.43(10) . . ?
C306 C307 C302 119.36(17) . . ?
C306 C307 C308 133.28(17) . . ?
C308 C307 K21 88.05(11) . . ?
C308 C307 K21 125.12(11) . 1_455 ?
C308 C307 C302 107.19(17) . . ?
C307 C308 K21 80.10(11) . . ?
N301 C308 K21 117.97(11) . . ?
N301 C308 C307 106.91(16) . . ?
N301 C308 N302 126.86(17) . . ?
N302 C308 K21 74.59(10) . . ?
N302 C308 C307 126.22(17) . . ?
C310 C309 K21 88.65(10) . . ?
N302 C309 K21 63.78(10) . . ?
N302 C309 C310 124.75(17) . . ?
N302 C309 N303 129.63(17) . . ?
N303 C309 K21 120.68(11) . . ?
N303 C309 C310 105.57(16) . . ?
C309 C310 K21 79.56(10) . . ?
C311 C310 K21 76.02(11) . . ?
C311 C310 C309 131.64(18) . . ?
C311 C310 C315 120.29(17) . . ?
C315 C310 K21 119.50(11) . . ?
C315 C310 C309 108.05(16) . . ?
C310 C311 K21 92.91(12) . . ?
C310 C311 C312 118.99(18) . . ?
C310 C311 Cl35 121.38(14) . . ?
C312 C311 K21 109.29(12) . . ?
C312 C311 Cl35 119.63(15) . . ?
Cl35 C311 K21 68.45(6) . . ?
C311 C312 K21 60.75(11) . . ?
C311 C312 Cl36 119.54(15) . . ?
C313 C312 K21 118.77(12) . . ?
C313 C312 C311 120.75(17) . . ?
C313 C312 Cl36 119.68(14) . . ?
Cl36 C312 K21 88.72(7) . . ?
C312 C313 K21 52.84(11) . . ?
C312 C313 C314 120.31(17) . . ?
C312 C313 Cl37 120.16(14) . . ?
C314 C313 K21 93.35(11) . . ?
C314 C313 Cl37 119.53(15) . . ?
Cl37 C313 K21 123.24(7) . . ?
C313 C314 K21 77.27(11) . . ?
C313 C314 Cl38 120.01(14) . . ?
C315 C314 K21 62.68(11) . . ?
C315 C314 C313 119.01(18) . . ?
C315 C314 Cl38 120.95(15) . . ?
Cl38 C314 K21 130.31(8) . . ?
C310 C315 K21 51.75(10) . . ?
C310 C315 C316 107.82(15) . . ?
C314 C315 K21 108.45(11) . . ?
C314 C315 C310 120.59(17) . . ?
C314 C315 C316 131.58(18) . . ?
C316 C315 K21 101.57(11) . . ?
C315 C316 K21 68.58(10) . . ?
N303 C316 K21 63.46(10) . . ?
N303 C316 C315 105.82(15) . . ?
N304 C316 K21 133.23(12) . . ?
N304 C316 C315 124.95(16) . . ?
N304 C316 N303 129.22(16) . . ?
C318 C317 K21 79.89(11) . 2_665 ?
N304 C317 K21 119.02(11) . 2_665 ?
N304 C317 C318 126.11(16) . . ?
N305 C317 K21 65.53(10) . 2_665 ?
N305 C317 C318 107.15(15) . . ?
N305 C317 N304 126.73(17) . . ?
C317 C318 K21 90.84(11) . 2_665 ?
C317 C318 C323 107.16(15) . . ?
C319 C318 K21 107.39(11) . 2_665 ?
C319 C318 C317 133.76(17) . . ?
C319 C318 C323 119.00(17) . . ?
C323 C318 K21 62.39(10) . 2_665 ?
C318 C319 K21 64.16(11) . 2_665 ?
C318 C319 Cl39 120.49(15) . . ?
C320 C319 K21 89.77(11) . 2_665 ?
C320 C319 C318 119.90(17) . . ?
C320 C319 Cl39 119.57(14) . . ?
Cl39 C319 K21 114.30(7) . 2_665 ?
C319 C320 K21 81.72(11) . 2_665 ?
C319 C320 C321 121.11(17) . . ?
C319 C320 Cl40 120.34(14) . . ?
C321 C320 K21 69.35(11) . 2_665 ?
C321 C320 Cl40 118.52(15) . . ?
Cl40 C320 K21 118.62(7) . 2_665 ?
K21 C321 K21 83.959(17) 2_665 1_445 ?
C320 C321 K21 101.97(11) . 2_665 ?
C320 C321 K21 164.91(12) . 1_445 ?
C320 C321 Cl1 119.19(14) . . ?
C322 C321 K21 74.97(11) . 1_445 ?
C322 C321 K21 59.23(11) . 2_665 ?
C322 C321 C320 120.02(17) . . ?
C322 C321 Cl1 120.77(15) . . ?
Cl1 C321 K21 45.91(6) . 1_445 ?
Cl1 C321 K21 109.16(7) . 2_665 ?
K21 C322 K21 89.311(19) 2_665 1_445 ?
C321 C322 K21 112.52(12) . 2_665 ?
C321 C322 K21 96.36(11) . 1_445 ?
C321 C322 C323 120.03(17) . . ?
C321 C322 Cl2 119.66(15) . . ?
C323 C322 K21 143.59(11) . 1_445 ?
C323 C322 K21 78.43(11) . 2_665 ?
C323 C322 Cl2 120.30(14) . . ?
Cl2 C322 K21 23.30(6) . 1_445 ?
Cl2 C322 K21 80.78(7) . 2_665 ?
C318 C323 K21 108.50(11) . 2_665 ?
C322 C323 K21 91.72(11) . 2_665 ?
C322 C323 C318 119.44(17) . . ?
C322 C323 C324 133.52(17) . . ?
C324 C323 K21 75.42(11) . 2_665 ?
C324 C323 C318 106.96(16) . . ?
C323 C324 K21 94.49(11) . 2_665 ?
N305 C324 K21 105.01(11) . 2_665 ?
N305 C324 C323 107.20(16) . . ?
N305 C324 N306 126.94(17) . . ?
N306 C324 K21 72.41(10) . 2_665 ?
N306 C324 C323 125.85(17) . . ?
C326 C325 K21 88.15(11) . 2_665 ?
N306 C325 K21 79.81(11) . 2_665 ?
N306 C325 C326 124.48(17) . . ?
N306 C325 N307 129.71(17) . . ?
N307 C325 K21 104.45(11) . 2_665 ?
N307 C325 C326 105.80(16) . . ?
C325 C326 K21 80.83(10) . 2_665 ?
C327 C326 K21 83.81(11) . 2_665 ?
C327 C326 C325 131.51(18) . . ?
C327 C326 C331 120.65(17) . . ?
C331 C326 K21 108.74(11) . 2_665 ?
C331 C326 C325 107.84(16) . . ?
K21 C327 K21 65.822(14) 1_445 2_565 ?
K21 C327 K21 93.87(2) 2_665 1_445 ?
K21 C327 K21 119.84(2) 2_665 2_565 ?
C326 C327 K21 85.89(11) . 2_665 ?
C326 C327 K21 140.95(12) . 2_565 ?
C326 C327 K21 146.92(12) . 1_445 ?
C326 C327 C328 118.88(18) . . ?
C326 C327 Cl43 121.74(14) . . ?
C328 C327 K21 92.20(12) . 1_445 ?
C328 C327 K21 110.57(12) . 2_665 ?
C328 C327 K21 28.21(11) . 2_565 ?
C328 C327 Cl43 119.38(15) . . ?
Cl43 C327 K21 29.82(5) . 1_445 ?
Cl43 C327 K21 95.00(7) . 2_565 ?
Cl43 C327 K21 73.44(6) . 2_665 ?
K21 C328 K21 128.00(3) 2_565 2_665 ?
K21 C328 K21 130.55(2) 2_665 1_455 ?
K21 C328 K21 81.911(18) 2_565 1_455 ?
K21 C328 K21 70.336(16) 2_565 1_445 ?
K21 C328 K21 140.77(2) 1_445 1_455 ?
K21 C328 K21 88.674(19) 2_665 1_445 ?
C327 C328 K21 60.37(11) . 2_665 ?
C327 C328 K21 118.05(12) . 1_455 ?
C327 C328 K21 78.69(12) . 1_445 ?
C327 C328 K21 147.02(12) . 2_565 ?
C327 C328 Cl44 119.65(16) . . ?
C329 C328 K21 25.06(11) . 1_455 ?
C329 C328 K21 158.97(12) . 1_445 ?
C329 C328 K21 107.89(12) . 2_665 ?
C329 C328 K21 89.01(11) . 2_565 ?
C329 C328 C327 120.50(18) . . ?
C329 C328 Cl44 119.85(14) . . ?
Cl44 C328 K21 41.90(6) . 1_445 ?
Cl44 C328 K21 116.07(7) . 1_455 ?
Cl44 C328 K21 100.93(7) . 2_665 ?
Cl44 C328 K21 34.16(6) . 2_565 ?
K21 C329 K21 142.64(3) 1_455 2_665 ?
K21 C329 K21 89.599(19) 1_455 2_565 ?
K21 C329 K21 119.79(3) 2_565 2_665 ?
C328 C329 K21 63.46(11) . 2_665 ?
C328 C329 K21 80.99(11) . 2_565 ?
C328 C329 K21 150.54(13) . 1_455 ?
C328 C329 Cl45 119.96(15) . . ?
C330 C329 K21 84.21(11) . 2_665 ?
C330 C329 K21 154.54(12) . 2_565 ?
C330 C329 K21 64.97(11) . 1_455 ?
C330 C329 C328 120.37(17) . . ?
C330 C329 Cl45 119.65(16) . . ?
Cl45 C329 K21 42.13(6) . 2_565 ?
Cl45 C329 K21 121.94(8) . 2_665 ?
Cl45 C329 K21 63.99(7) . 1_455 ?
K21 C330 K21 155.63(3) 1_455 2_665 ?
C329 C330 K21 86.73(11) . 2_665 ?
C329 C330 K21 104.95(11) . 1_455 ?
C329 C330 Cl46 120.06(15) . . ?
C331 C330 K21 123.87(12) . 1_455 ?
C331 C330 K21 64.10(11) . 2_665 ?
C331 C330 C329 118.99(18) . . ?
C331 C330 Cl46 120.95(15) . . ?
Cl46 C330 K21 36.82(5) . 1_455 ?
Cl46 C330 K21 118.85(7) . 2_665 ?
K21 C331 K21 146.29(3) 1_455 2_665 ?
C326 C331 K21 62.08(11) . 2_665 ?
C326 C331 K21 145.65(11) . 1_455 ?
C326 C331 C332 108.13(16) . . ?
C330 C331 K21 47.91(11) . 1_455 ?
C330 C331 K21 107.22(12) . 2_665 ?
C330 C331 C326 120.48(18) . . ?
C330 C331 C332 131.39(18) . . ?
C332 C331 K21 91.49(10) . 1_455 ?
C332 C331 K21 94.07(10) . 2_665 ?
K21 C332 K21 138.11(2) 1_455 2_665 ?
C331 C332 K21 75.97(10) . 2_665 ?
C331 C332 K21 78.20(10) . 1_455 ?
N307 C332 K21 67.68(10) . 2_665 ?
N307 C332 K21 152.25(11) . 1_455 ?
N307 C332 C331 105.55(16) . . ?
N308 C332 K21 53.98(10) . 1_455 ?
N308 C332 K21 121.37(12) . 2_665 ?
N308 C332 C331 125.22(16) . . ?
N308 C332 N307 129.24(17) . . ?
C321 Cl1 K21 125.10(7) . 1_445 ?
K21 Cl2 K21 102.117(8) 1_445 2_665 ?
C322 Cl2 K21 151.30(7) . 1_445 ?
C322 Cl2 K21 87.13(7) . 2_665 ?
K21 Cl31 K21 103.907(8) 1_455 2_675 ?
K21 Cl31 K21 62.494(6) . 2_675 ?
K21 Cl31 K21 162.575(11) 1_455 . ?
C303 Cl31 K21 38.12(7) . . ?
C303 Cl31 K21 76.35(7) . 2_675 ?
C303 Cl31 K21 131.68(7) . 1_455 ?
K21 Cl32 K21 149.392(10) 1_455 . ?
K21 Cl32 K21 125.426(8) 1_455 2_675 ?
K21 Cl32 K21 76.230(7) 2_675 . ?
C304 Cl32 K21 127.81(7) . 2_675 ?
C304 Cl32 K21 104.31(7) . 1_455 ?
C304 Cl32 K21 51.69(7) . . ?
K21 Cl33 K21 129.565(9) . 1_455 ?
K21 Cl33 K21 92.665(7) 2_675 1_455 ?
K21 Cl33 K21 86.794(8) . 2_675 ?
C305 Cl33 K21 121.61(7) . 2_675 ?
C305 Cl33 K21 56.13(6) . 1_455 ?
C305 Cl33 K21 81.76(6) . . ?
C306 Cl34 K21 100.51(7) . . ?
C311 Cl35 K21 97.54(7) . . ?
C312 Cl36 K21 78.49(7) . . ?
C313 Cl37 K21 47.97(7) . . ?
C320 Cl40 K21 113.10(7) . 1_545 ?
K21 Cl43 K21 69.539(7) 1_445 2_565 ?
K21 Cl43 K21 109.943(8) 1_445 2_665 ?
K21 Cl43 K21 119.567(8) 2_665 2_565 ?
C327 Cl43 K21 93.72(7) . 2_665 ?
C327 Cl43 K21 143.38(6) . 1_445 ?
C327 Cl43 K21 74.56(6) . 2_565 ?
K21 Cl44 K21 142.936(10) 2_565 2_665 ?
K21 Cl44 K21 93.353(7) 1_445 2_665 ?
K21 Cl44 K21 85.521(8) 2_565 1_445 ?
C328 Cl44 K21 129.44(7) . 1_445 ?
C328 Cl44 K21 68.01(7) . 2_665 ?
C328 Cl44 K21 137.40(7) . 2_565 ?
K21 Cl45 K21 105.063(8) 2_565 1_455 ?
C329 Cl45 K21 103.45(7) . 1_455 ?
C329 Cl45 K21 128.16(7) . 2_565 ?
C330 Cl46 K21 133.26(7) . 1_455 ?
K21 Cl48 K21 104.821(8) 2_665 . ?
Sn31 Cl48 K21 120.627(15) . . ?
Sn31 Cl48 K21 133.039(15) . 2_665 ?
C301 N301 K21 101.55(10) . . ?
C301 N301 Sn31 124.21(13) . . ?
C308 N301 K21 52.87(10) . . ?
C308 N301 C301 111.75(15) . . ?
C308 N301 Sn31 124.03(12) . . ?
Sn31 N301 K21 110.51(5) . . ?
C308 N302 K21 93.89(10) . . ?
C309 N302 K21 106.16(11) . . ?
C309 N302 C308 125.86(17) . . ?
C309 N303 K21 50.66(10) . . ?
C309 N303 C316 112.60(15) . . ?
C309 N303 Sn31 123.33(12) . . ?
C316 N303 K21 107.49(10) . . ?
C316 N303 Sn31 123.49(12) . . ?
Sn31 N303 K21 101.70(5) . . ?
C316 N304 C317 125.80(15) . . ?
C317 N305 K21 105.78(11) . 2_665 ?
C317 N305 Sn31 124.24(12) . . ?
C324 N305 K21 65.78(10) . 2_665 ?
C324 N305 C317 111.49(15) . . ?
C324 N305 Sn31 124.26(12) . . ?
Sn31 N305 K21 97.73(5) . 2_665 ?
C324 N306 K21 97.56(10) . 2_665 ?
C325 N306 K21 90.43(11) . 2_665 ?
C325 N306 C324 125.54(17) . . ?
C325 N307 K21 66.01(10) . 2_665 ?
C325 N307 C332 112.62(15) . . ?
C325 N307 Sn31 123.52(12) . . ?
C332 N307 K21 103.18(11) . 2_665 ?
C332 N307 Sn31 123.61(12) . . ?
Sn31 N307 K21 103.45(5) . 2_665 ?
K21 N308 K21 123.49(2) 1_455 . ?
C301 N308 K21 107.07(10) . 1_455 ?
C301 N308 K21 41.93(10) . . ?
C332 N308 K21 117.27(11) . . ?
C332 N308 K21 118.06(11) . 1_455 ?
C332 N308 C301 126.15(16) . . ?
K21 Sn31 K21 79.305(5) . 2_665 ?
Cl47 Sn31 K21 145.449(12) . 2_665 ?
Cl47 Sn31 K21 134.236(12) . . ?
Cl48 Sn31 K21 35.182(12) . 2_665 ?
Cl48 Sn31 K21 45.084(12) . . ?
Cl48 Sn31 Cl47 179.315(17) . . ?
N301 Sn31 K21 56.43(4) . . ?
N301 Sn31 K21 111.62(5) . 2_665 ?
N301 Sn31 Cl47 88.03(5) . . ?
N301 Sn31 Cl48 91.38(5) . . ?
N303 Sn31 K21 116.60(5) . 2_665 ?
N303 Sn31 K21 64.78(4) . . ?
N303 Sn31 Cl47 90.33(5) . . ?
N303 Sn31 Cl48 89.33(5) . . ?
N303 Sn31 N301 90.23(6) . . ?
N303 Sn31 N305 89.85(6) . . ?
N305 Sn31 K21 68.82(4) . 2_665 ?
N305 Sn31 K21 124.08(4) . . ?
N305 Sn31 Cl47 91.42(5) . . ?
N305 Sn31 Cl48 89.17(5) . . ?
N305 Sn31 N301 179.45(6) . . ?
N307 Sn31 K21 115.59(5) . . ?
N307 Sn31 K21 63.48(5) . 2_665 ?
N307 Sn31 Cl47 89.46(5) . . ?
N307 Sn31 Cl48 90.89(5) . . ?
N307 Sn31 N301 90.08(6) . . ?
N307 Sn31 N303 179.62(7) . . ?
N307 Sn31 N305 89.85(6) . . ?
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
C41 C42 1.386(3) . ?
C41 C46 1.383(3) . ?
C41 Cl41 1.735(2) . ?
C41 K21 5.851(2) . ?
C42 C43 1.383(3) . ?
C42 Cl42 1.732(2) . ?
C42 K21 6.432(2) . ?
C43 H43 0.9500 . ?
C43 C44 1.388(3) . ?
C43 K21 7.084(2) . ?
C44 H44 0.9500 . ?
C44 C45 1.381(3) . ?
C44 K21 7.194(2) . ?
C45 H45 0.9500 . ?
C45 C46 1.380(3) . ?
C45 K21 6.678(2) . ?
C46 H46 0.9500 . ?
C46 K21 5.980(2) . ?
Cl41 K21 5.6114(8) . ?
Cl42 K21 6.8749(7) . ?
C51 C52 1.391(3) . ?
C51 C56 1.387(3) . ?
C51 Cl51 1.728(2) . ?
C51 K21 5.721(2) . ?
C51 K21 8.717(2) 2_675 ?
C52 C53 1.385(3) . ?
C52 Cl52 1.734(2) . ?
C52 K21 4.752(2) . ?
C52 K21 8.394(2) 2_675 ?
C52 K21 9.119(2) 2_665 ?
C53 H53 0.9500 . ?
C53 C54 1.374(3) . ?
C53 K21 5.164(2) . ?
C53 K21 7.959(2) 2_665 ?
C53 K21 9.097(2) 2_675 ?
C54 H54 0.9500 . ?
C54 C55 1.388(4) . ?
C54 K21 6.996(2) 2_665 ?
C54 K21 6.373(3) . ?
C55 H55 0.9500 . ?
C55 C56 1.377(3) . ?
C55 K21 7.364(2) 2_665 ?
C55 K21 7.122(3) . ?
C56 H56 0.9500 . ?
C56 K21 6.845(2) . ?
C56 K21 8.605(2) 2_665 ?
Cl51 K21 5.9776(7) . ?
Cl51 K21 8.2423(7) 2_675 ?
Cl52 K21 3.5671(7) . ?
Cl52 K21 7.4655(7) 2_675 ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C101 C102 1.509(3) . ?
C101 N101 1.471(3) . ?
C102 H10C 0.9900 . ?
C102 H10D 0.9900 . ?
C102 O101 1.434(2) . ?
C103 H10E 0.9900 . ?
C103 H10F 0.9900 . ?
C103 C104 1.496(3) . ?
C103 O101 1.425(2) . ?
C104 H10G 0.9900 . ?
C104 H10H 0.9900 . ?
C104 O102 1.427(2) . ?
C105 H10I 0.9900 . ?
C105 H10J 0.9900 . ?
C105 C106 1.504(3) . ?
C105 O102 1.423(2) . ?
C106 H10K 0.9900 . ?
C106 H10L 0.9900 . ?
C106 N102 1.473(3) . ?
C106 K21 8.198(2) 2_676 ?
C107 H10M 0.9900 . ?
C107 H10N 0.9900 . ?
C107 C108 1.506(3) . ?
C107 N101 1.477(2) . ?
C108 H10O 0.9900 . ?
C108 H10P 0.9900 . ?
C108 O103 1.428(2) . ?
C108 K21 8.747(2) 2_676 ?
C109 H10Q 0.9900 . ?
C109 H10R 0.9900 . ?
C109 C110 1.495(3) . ?
C109 O103 1.421(2) . ?
C109 K21 6.977(2) 2_676 ?
C109 K21 8.166(2) 1_556 ?
C110 H11A 0.9900 . ?
C110 H11B 0.9900 . ?
C110 O104 1.429(2) . ?
C110 K21 6.591(2) 2_676 ?
C110 K21 7.925(2) 1_556 ?
C111 H11C 0.9900 . ?
C111 H11D 0.9900 . ?
C111 C112 1.507(3) . ?
C111 O104 1.424(2) . ?
C111 K21 9.189(2) 1_556 ?
C111 K21 6.080(2) 2_676 ?
C112 H11E 0.9900 . ?
C112 H11F 0.9900 . ?
C112 N102 1.471(3) . ?
C112 K21 5.846(2) 2_676 ?
C113 H11G 0.9900 . ?
C113 H11H 0.9900 . ?
C113 C114 1.503(3) . ?
C113 N101 1.479(2) . ?
C114 H11I 0.9900 . ?
C114 H11J 0.9900 . ?
C114 O105 1.424(2) . ?
C115 H11K 0.9900 . ?
C115 H11L 0.9900 . ?
C115 C116 1.497(3) . ?
C115 O105 1.417(2) . ?
C115 K21 8.743(2) 2_676 ?
C116 H11M 0.9900 . ?
C116 H11N 0.9900 . ?
C116 O106 1.428(2) . ?
C116 K21 7.504(2) 2_676 ?
C117 H11O 0.9900 . ?
C117 H11P 0.9900 . ?
C117 C118 1.506(3) . ?
C117 O106 1.419(2) . ?
C117 K21 6.426(2) 2_676 ?
C118 H11Q 0.9900 . ?
C118 H11R 0.9900 . ?
C118 N102 1.472(2) . ?
C118 K21 6.947(2) 2_676 ?
K11 N101 3.0005(17) . ?
K11 N102 3.0444(17) . ?
K11 O101 2.8106(15) . ?
K11 O102 2.8248(14) . ?
K11 O103 2.7953(14) . ?
K11 O104 2.9152(14) . ?
K11 O105 2.8077(13) . ?
K11 O106 2.9600(14) . ?
K11 K21 8.1396(7) 2_676 ?
N102 K21 6.9919(18) 2_676 ?
O103 K21 8.0088(15) 2_676 ?
O104 K21 6.0145(15) 2_676 ?
O104 K21 9.0469(14) 1_556 ?
O105 K21 8.6558(15) 2_676 ?
O106 K21 7.4460(15) 2_676 ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C201 C202 1.506(3) . ?
C201 K21 3.761(2) . ?
C201 K21 7.618(2) 2_665 ?
C201 N201 1.472(3) . ?
C202 H20C 0.9900 . ?
C202 H20D 0.9900 . ?
C202 K21 3.656(2) . ?
C202 K21 7.575(2) 2_665 ?
C202 O201 1.421(2) . ?
C203 H20E 0.9900 . ?
C203 H20F 0.9900 . ?
C203 C204 1.488(3) . ?
C203 K21 3.550(2) . ?
C203 K21 8.858(2) 2_665 ?
C203 O201 1.426(2) . ?
C204 H20G 0.9900 . ?
C204 H20H 0.9900 . ?
C204 K21 3.643(2) . ?
C204 O202 1.422(3) . ?
C205 H20I 0.9900 . ?
C205 H20J 0.9900 . ?
C205 C206 1.506(3) . ?
C205 K21 8.907(2) 2_775 ?
C205 K21 3.694(2) . ?
C205 O202 1.422(3) . ?
C206 H20K 0.9900 . ?
C206 H20L 0.9900 . ?
C206 K21 3.801(2) . ?
C206 K21 8.210(2) 2_775 ?
C206 N202 1.471(3) . ?
C207 H20M 0.9900 . ?
C207 H20N 0.9900 . ?
C207 C208 1.505(3) . ?
C207 K21 3.776(2) . ?
C207 N201 1.477(2) . ?
C208 H20O 0.9900 . ?
C208 H20P 0.9900 . ?
C208 K21 8.895(2) 2_675 ?
C208 K21 3.638(2) . ?
C208 O203 1.423(3) . ?
C209 H20Q 0.9900 . ?
C209 H20R 0.9900 . ?
C209 C210 1.489(3) . ?
C209 K21 3.691(2) . ?
C209 K21 6.886(2) 2_675 ?
C209 O203 1.420(2) . ?
C210 H21A 0.9900 . ?
C210 H21B 0.9900 . ?
C210 K21 3.673(2) . ?
C210 K21 6.563(3) 2_675 ?
C210 O204 1.427(3) . ?
C211 H21C 0.9900 . ?
C211 H21D 0.9900 . ?
C211 C212 1.504(3) . ?
C211 K21 3.718(2) . ?
C211 K21 7.037(2) 2_675 ?
C211 O204 1.417(3) . ?
C212 H21E 0.9900 . ?
C212 H21F 0.9900 . ?
C212 K21 9.258(2) 2_775 ?
C212 K21 7.790(2) 2_675 ?
C212 K21 3.787(2) . ?
C212 N202 1.477(3) . ?
C213 H21G 0.9900 . ?
C213 H21H 0.9900 . ?
C213 C214 1.509(3) . ?
C213 K21 3.802(2) . ?
C213 N201 1.475(2) . ?
C214 H21I 0.9900 . ?
C214 H21J 0.9900 . ?
C214 K21 3.699(2) . ?
C214 O205 1.426(2) . ?
C215 H21K 0.9900 . ?
C215 H21L 0.9900 . ?
C215 C216 1.497(3) . ?
C215 K21 3.687(2) . ?
C215 O205 1.421(2) . ?
C216 H21M 0.9900 . ?
C216 H21N 0.9900 . ?
C216 K21 3.665(2) . ?
C216 O206 1.425(2) . ?
C217 H21O 0.9900 . ?
C217 H21P 0.9900 . ?
C217 C218 1.510(3) . ?
C217 K21 3.708(2) . ?
C217 O206 1.429(3) . ?
C218 H21Q 0.9900 . ?
C218 H21R 0.9900 . ?
C218 K21 3.816(2) . ?
C218 K21 8.976(3) 2_775 ?
C218 N202 1.474(3) . ?
K21 N201 3.0297(17) . ?
K21 N202 3.0557(18) . ?
K21 O201 2.8086(15) . ?
K21 O202 2.8028(15) . ?
K21 O203 2.8068(14) . ?
K21 O204 2.9104(15) . ?
K21 O205 2.8531(14) . ?
K21 O206 2.9144(14) . ?
C301 C302 1.415(3) . ?
C301 N301 1.379(2) . ?
C301 N308 1.378(2) . ?
C302 C303 1.415(3) . ?
C302 C307 1.442(3) . ?
C303 C304 1.380(3) . ?
C303 Cl31 1.7286(19) . ?
C304 C305 1.423(3) . ?
C304 Cl32 1.7274(19) . ?
C305 C306 1.372(3) . ?
C305 Cl33 1.730(2) . ?
C306 C307 1.414(3) . ?
C306 Cl34 1.7266(19) . ?
C307 C308 1.417(3) . ?
C308 N301 1.376(2) . ?
C308 N302 1.380(2) . ?
C309 C310 1.481(3) . ?
C309 N302 1.296(2) . ?
C309 N303 1.390(2) . ?
C310 C311 1.394(3) . ?
C310 C315 1.403(3) . ?
C311 C312 1.397(3) . ?
C311 Cl35 1.720(2) . ?
C312 C313 1.394(3) . ?
C312 Cl36 1.7219(19) . ?
C313 C314 1.399(3) . ?
C313 Cl37 1.7249(18) . ?
C314 C315 1.394(3) . ?
C314 Cl38 1.715(2) . ?
C315 C316 1.478(2) . ?
C316 N303 1.393(2) . ?
C316 N304 1.294(2) . ?
C317 C318 1.414(3) . ?
C317 N304 1.381(2) . ?
C317 N305 1.377(2) . ?
C318 C319 1.410(2) . ?
C318 C323 1.443(2) . ?
C319 C320 1.369(3) . ?
C319 Cl39 1.7284(18) . ?
C320 C321 1.427(3) . ?
C320 Cl40 1.7293(19) . ?
C321 C322 1.376(3) . ?
C321 Cl1 1.7309(19) . ?
C322 C323 1.410(3) . ?
C322 Cl2 1.7265(18) . ?
C323 C324 1.417(3) . ?
C324 N305 1.374(2) . ?
C324 N306 1.376(2) . ?
C325 C326 1.481(2) . ?
C325 N306 1.297(2) . ?
C325 N307 1.387(2) . ?
C326 C327 1.390(3) . ?
C326 C331 1.398(3) . ?
C327 C328 1.399(3) . ?
C327 Cl43 1.720(2) . ?
C328 C329 1.397(3) . ?
C328 Cl44 1.7217(19) . ?
C329 C330 1.397(3) . ?
C329 Cl45 1.7246(18) . ?
C330 C331 1.393(3) . ?
C330 Cl46 1.713(2) . ?
C331 C332 1.480(3) . ?
C332 N307 1.392(2) . ?
C332 N308 1.297(2) . ?
Cl47 Sn31 2.4757(5) . ?
Cl48 Sn31 2.4623(5) . ?
N301 Sn31 2.0717(15) . ?
N303 Sn31 2.0500(15) . ?
N305 Sn31 2.0699(15) . ?
N307 Sn31 2.0492(15) . ?
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
C41 C42 C43 C44 -0.1(3) . . . . ?
C41 C42 C43 K21 66.83(18) . . . . ?
C41 C42 Cl42 K21 -58.76(16) . . . . ?
C42 C41 C46 C45 0.9(3) . . . . ?
C42 C41 C46 K21 -111.0(2) . . . . ?
C42 C41 Cl41 K21 102.44(17) . . . . ?
C42 C43 C44 C45 0.4(4) . . . . ?
C42 C43 C44 K21 50.34(19) . . . . ?
C43 C42 Cl42 K21 121.39(19) . . . . ?
C43 C44 C45 C46 -0.1(4) . . . . ?
C43 C44 C45 K21 57.9(3) . . . . ?
C44 C45 C46 C41 -0.5(3) . . . . ?
C44 C45 C46 K21 89.5(2) . . . . ?
C46 C41 C42 C43 -0.6(3) . . . . ?
C46 C41 C42 Cl42 179.57(16) . . . . ?
C46 C41 C42 K21 99.7(2) . . . . ?
C46 C41 Cl41 K21 -78.79(17) . . . . ?
Cl41 C41 C42 C43 178.18(17) . . . . ?
Cl41 C41 C42 Cl42 -1.7(3) . . . . ?
Cl41 C41 C42 K21 -81.50(14) . . . . ?
Cl41 C41 C46 C45 -177.89(17) . . . . ?
Cl41 C41 C46 K21 70.21(13) . . . . ?
Cl42 C42 C43 C44 179.79(18) . . . . ?
Cl42 C42 C43 K21 -113.32(18) . . . . ?
C51 C52 C53 C54 1.0(3) . . . . ?
C51 C52 C53 K21 -119.1(2) . . . 2_675 ?
C51 C52 C53 K21 48.4(3) . . . 2_665 ?
C51 C52 C53 K21 145.5(2) . . . . ?
C51 C52 Cl52 K21 -114.80(15) . . . . ?
C51 C52 Cl52 K21 76.92(17) . . . 2_675 ?
C52 C51 C56 C55 0.2(3) . . . . ?
C52 C51 C56 K21 -47.43(18) . . . . ?
C52 C51 C56 K21 -27.2(2) . . . 2_665 ?
C52 C51 Cl51 K21 -52.22(16) . . . 2_675 ?
C52 C51 Cl51 K21 28.52(14) . . . . ?
C52 C53 C54 C55 -0.4(3) . . . . ?
C52 C53 C54 K21 90.0(3) . . . . ?
C52 C53 C54 K21 139.94(16) . . . 2_665 ?
C53 C52 Cl52 K21 66.08(18) . . . . ?
C53 C52 Cl52 K21 -102.21(16) . . . 2_675 ?
C53 C54 C55 C56 -0.3(3) . . . . ?
C53 C54 C55 K21 28.84(15) . . . . ?
C53 C54 C55 K21 150.5(2) . . . 2_665 ?
C54 C55 C56 C51 0.4(3) . . . . ?
C54 C55 C56 K21 102.9(4) . . . 2_665 ?
C54 C55 C56 K21 23.8(2) . . . . ?
C56 C51 C52 C53 -0.9(3) . . . . ?
C56 C51 C52 Cl52 179.93(16) . . . . ?
C56 C51 C52 K21 133.55(16) . . . . ?
C56 C51 C52 K21 -128.66(17) . . . 2_675 ?
C56 C51 C52 K21 21.70(19) . . . 2_665 ?
C56 C51 Cl51 K21 127.05(16) . . . 2_675 ?
C56 C51 Cl51 K21 -152.22(18) . . . . ?
Cl51 C51 C52 C53 178.32(16) . . . . ?
Cl51 C51 C52 Cl52 -0.8(2) . . . . ?
Cl51 C51 C52 K21 -47.2(2) . . . . ?
Cl51 C51 C52 K21 -159.04(11) . . . 2_665 ?
Cl51 C51 C52 K21 50.61(14) . . . 2_675 ?
Cl51 C51 C56 C55 -179.02(16) . . . . ?
Cl51 C51 C56 K21 153.52(9) . . . 2_665 ?
Cl51 C51 C56 K21 133.3(3) . . . . ?
Cl52 C52 C53 C54 -179.84(17) . . . . ?
Cl52 C52 C53 K21 -132.44(17) . . . 2_665 ?
Cl52 C52 C53 K21 59.98(12) . . . 2_675 ?
Cl52 C52 C53 K21 -35.38(10) . . . . ?
C101 C102 O101 C103 -169.26(17) . . . . ?
C101 C102 O101 K11 56.49(18) . . . . ?
C102 C101 N101 C107 -82.5(2) . . . . ?
C102 C101 N101 C113 156.45(17) . . . . ?
C102 C101 N101 K11 37.58(19) . . . . ?
C103 C104 O102 C105 174.40(16) . . . . ?
C103 C104 O102 K11 -51.71(18) . . . . ?
C104 C103 O101 C102 179.58(17) . . . . ?
C104 C103 O101 K11 -46.1(2) . . . . ?
C105 C106 N102 C112 163.77(17) . . . . ?
C105 C106 N102 C118 -75.9(2) . . . . ?
C105 C106 N102 K11 44.60(18) . . . . ?
C105 C106 N102 K21 -179.09(11) . . . 2_676 ?
C106 C105 O102 C104 -175.44(16) . . . . ?
C106 C105 O102 K11 52.36(18) . . . . ?
C107 C108 O103 C109 -168.57(16) . . . . ?
C107 C108 O103 K11 52.28(19) . . . . ?
C107 C108 O103 K21 147.96(12) . . . 2_676 ?
C108 C107 N101 C101 163.21(17) . . . . ?
C108 C107 N101 C113 -75.4(2) . . . . ?
C108 C107 N101 K11 42.08(19) . . . . ?
C109 C110 O104 C111 -178.57(17) . . . . ?
C109 C110 O104 K11 -54.12(19) . . . . ?
C109 C110 O104 K21 89.21(16) . . . 2_676 ?
C109 C110 O104 K21 120.7(3) . . . 1_556 ?
C110 C109 O103 C108 175.20(17) . . . . ?
C110 C109 O103 K11 -45.7(2) . . . . ?
C110 C109 O103 K21 -78.32(17) . . . 2_676 ?
C111 C112 N102 C106 -77.9(2) . . . . ?
C111 C112 N102 C118 161.44(17) . . . . ?
C111 C112 N102 K11 40.0(2) . . . . ?
C111 C112 N102 K21 120.7(2) . . . 2_676 ?
C112 C111 O104 C110 -176.95(17) . . . . ?
C112 C111 O104 K11 59.96(18) . . . . ?
C112 C111 O104 K21 -69.60(15) . . . 2_676 ?
C112 C111 O104 K21 -146.61(15) . . . 1_556 ?
C113 C114 O105 C115 -170.46(17) . . . . ?
C113 C114 O105 K11 50.68(19) . . . . ?
C113 C114 O105 K21 -43.8(3) . . . 2_676 ?
C114 C113 N101 C101 -75.7(2) . . . . ?
C114 C113 N101 C107 163.48(17) . . . . ?
C114 C113 N101 K11 45.08(18) . . . . ?
C115 C116 O106 C117 -175.33(17) . . . . ?
C115 C116 O106 K11 -51.65(18) . . . . ?
C115 C116 O106 K21 -143.28(15) . . . 2_676 ?
C116 C115 O105 C114 171.89(16) . . . . ?
C116 C115 O105 K11 -49.9(2) . . . . ?
C116 C115 O105 K21 16.82(15) . . . 2_676 ?
C117 C118 N102 C106 158.34(17) . . . . ?
C117 C118 N102 C112 -81.4(2) . . . . ?
C117 C118 N102 K11 39.57(19) . . . . ?
C117 C118 N102 K21 -59.27(15) . . . 2_676 ?
C118 C117 O106 C116 -174.13(16) . . . . ?
C118 C117 O106 K11 61.70(17) . . . . ?
C118 C117 O106 K21 130.5(2) . . . 2_676 ?
N101 C101 C102 O101 -63.6(2) . . . . ?
N101 C107 C108 O103 -64.5(2) . . . . ?
N101 C107 C108 K21 -11.0(3) . . . 2_676 ?
N101 C113 C114 O105 -66.7(2) . . . . ?
O101 C103 C104 O102 65.5(2) . . . . ?
O102 C105 C106 N102 -67.1(2) . . . . ?
O102 C105 C106 K21 -67.9(3) . . . 2_676 ?
O103 C109 C110 O104 68.0(2) . . . . ?
O103 C109 C110 K21 129.59(13) . . . 2_676 ?
O103 C109 C110 K21 -146.72(13) . . . 1_556 ?
O104 C111 C112 N102 -69.8(2) . . . . ?
O104 C111 C112 K21 74.18(14) . . . 2_676 ?
O105 C115 C116 O106 68.3(2) . . . . ?
O105 C115 C116 K21 -33.5(3) . . . 2_676 ?
O106 C117 C118 N102 -71.4(2) . . . . ?
O106 C117 C118 K21 -144.21(17) . . . 2_676 ?
C201 C202 O201 C203 179.33(17) . . . . ?
C201 C202 O201 K21 54.54(18) . . . . ?
C201 C202 O201 K21 -101.72(19) . . . 2_665 ?
C202 C201 N201 C207 160.75(17) . . . . ?
C202 C201 N201 C213 -78.8(2) . . . . ?
C202 C201 N201 K21 -130.0(4) . . . 2_665 ?
C202 C201 N201 K21 41.75(19) . . . . ?
C203 C204 O202 C205 178.37(16) . . . . ?
C203 C204 O202 K21 -41.52(19) . . . . ?
C204 C203 O201 C202 174.30(17) . . . . ?
C204 C203 O201 K21 -57.47(19) . . . . ?
C204 C203 O201 K21 132.22(15) . . . 2_665 ?
C205 C206 N202 C212 -78.9(2) . . . . ?
C205 C206 N202 C218 159.90(19) . . . . ?
C205 C206 N202 K21 -148.4(2) . . . 2_775 ?
C205 C206 N202 K21 39.6(2) . . . . ?
C205 C206 N202 K21 -60.0(2) . . . 2_675 ?
C206 C205 O202 C204 -165.86(18) . . . . ?
C206 C205 O202 K21 55.3(2) . . . . ?
C207 C208 O203 C209 -164.98(17) . . . . ?
C207 C208 O203 K21 -174.11(12) . . . 2_675 ?
C207 C208 O203 K21 58.12(19) . . . . ?
C208 C207 N201 C201 -80.2(2) . . . . ?
C208 C207 N201 C213 158.97(18) . . . . ?
C208 C207 N201 K21 -99.08(16) . . . 2_665 ?
C208 C207 N201 K21 38.4(2) . . . . ?
C209 C210 O204 C211 178.16(18) . . . . ?
C209 C210 O204 K21 -53.5(2) . . . . ?
C209 C210 O204 K21 100.42(19) . . . 2_675 ?
C210 C209 O203 C208 -179.74(18) . . . . ?
C210 C209 O203 K21 -89.9(8) . . . 2_675 ?
C210 C209 O203 K21 -44.4(2) . . . . ?
C211 C212 N202 C206 163.46(18) . . . . ?
C211 C212 N202 C218 -75.8(2) . . . . ?
C211 C212 N202 K21 -153.59(17) . . . 2_775 ?
C211 C212 N202 K21 44.3(2) . . . . ?
C211 C212 N202 K21 53.8(3) . . . 2_675 ?
C212 C211 O204 C210 -178.58(18) . . . . ?
C212 C211 O204 K21 -113.33(16) . . . 2_675 ?
C212 C211 O204 K21 54.6(2) . . . . ?
C213 C214 O205 C215 -170.44(16) . . . . ?
C213 C214 O205 K21 56.16(19) . . . . ?
C214 C213 N201 C201 160.09(17) . . . . ?
C214 C213 N201 C207 -78.9(2) . . . . ?
C214 C213 N201 K21 40.8(2) . . . . ?
C214 C213 N201 K21 175.49(15) . . . 2_665 ?
C215 C216 O206 C217 -179.73(18) . . . . ?
C215 C216 O206 K21 -54.47(19) . . . . ?
C216 C215 O205 C214 178.99(17) . . . . ?
C216 C215 O205 K21 -47.3(2) . . . . ?
C217 C218 N202 C206 -79.3(2) . . . . ?
C217 C218 N202 C212 159.6(2) . . . . ?
C217 C218 N202 K21 -114.9(2) . . . 2_775 ?
C217 C218 N202 K21 40.5(2) . . . . ?
C217 C218 N202 K21 143.30(16) . . . 2_675 ?
C218 C217 O206 C216 -177.26(19) . . . . ?
C218 C217 O206 K21 58.8(2) . . . . ?
K21 C41 C42 C43 -100.33(19) . . . . ?
K21 C41 C42 Cl42 79.82(17) . . . . ?
K21 C41 C46 C45 111.90(19) . . . . ?
K21 C42 C43 C44 -66.9(2) . . . . ?
K21 C43 C44 C45 -49.9(2) . . . . ?
K21 C44 C45 C46 -57.99(18) . . . . ?
K21 C45 C46 C41 -90.0(2) . . . . ?
K21 C51 C52 C53 127.71(19) 2_675 . . . ?
K21 C51 C52 C53 -134.5(3) . . . . ?
K21 C51 C52 Cl52 46.38(11) . . . . ?
K21 C51 C52 Cl52 -51.41(12) 2_675 . . . ?
K21 C51 C52 K21 97.79(13) . . . 2_675 ?
K21 C51 C52 K21 -111.85(13) . . . 2_665 ?
K21 C51 C52 K21 -97.79(13) 2_675 . . . ?
K21 C51 C52 K21 150.36(5) 2_675 . . 2_665 ?
K21 C51 C56 C55 47.7(3) . . . . ?
K21 C51 C56 C55 -92.1(2) 2_675 . . . ?
K21 C51 C56 K21 -139.8(3) 2_675 . . . ?
K21 C51 C56 K21 20.2(3) . . . 2_665 ?
K21 C51 C56 K21 -119.59(12) 2_675 . . 2_665 ?
K21 C51 Cl51 K21 80.73(3) 2_675 . . . ?
K21 C51 Cl51 K21 -80.73(3) . . . 2_675 ?
K21 C52 C53 C54 -144.46(18) . . . . ?
K21 C52 C53 C54 120.17(19) 2_675 . . . ?
K21 C52 C53 C54 -47.4(2) 2_665 . . . ?
K21 C52 C53 K21 97.1(2) 2_665 . . . ?
K21 C52 C53 K21 -167.57(13) 2_665 . . 2_675 ?
K21 C52 C53 K21 -95.37(10) 2_675 . . . ?
K21 C52 C53 K21 -97.1(2) . . . 2_665 ?
K21 C52 C53 K21 167.57(13) 2_675 . . 2_665 ?
K21 C52 C53 K21 95.37(10) . . . 2_675 ?
K21 C52 Cl52 K21 -135.20(7) 2_665 . . 2_675 ?
K21 C52 Cl52 K21 -168.29(9) . . . 2_675 ?
K21 C52 Cl52 K21 168.29(9) 2_675 . . . ?
K21 C52 Cl52 K21 33.08(13) 2_665 . . . ?
K21 C53 C54 C55 -90.4(3) . . . . ?
K21 C53 C54 C55 67.8(3) 2_675 . . . ?
K21 C53 C54 C55 -140.4(3) 2_665 . . . ?
K21 C53 C54 K21 158.2(4) 2_675 . . . ?
K21 C53 C54 K21 -151.87(7) 2_675 . . 2_665 ?
K21 C53 C54 K21 50.0(4) . . . 2_665 ?
K21 C53 C54 K21 -50.0(4) 2_665 . . . ?
K21 C54 C55 C56 -29.1(3) . . . . ?
K21 C54 C55 C56 -150.80(18) 2_665 . . . ?
K21 C54 C55 K21 121.68(11) . . . 2_665 ?
K21 C54 C55 K21 -121.68(11) 2_665 . . . ?
K21 C55 C56 C51 -23.46(16) . . . . ?
K21 C55 C56 C51 -102.5(3) 2_665 . . . ?
K21 C55 C56 K21 -79.1(3) 2_665 . . . ?
K21 C55 C56 K21 79.1(3) . . . 2_665 ?
K21 C106 N102 C112 -17.14(12) 2_676 . . . ?
K21 C106 N102 C118 103.2(2) 2_676 . . . ?
K21 C106 N102 K11 -136.31(19) 2_676 . . . ?
K21 C108 O103 C109 43.47(12) 2_676 . . . ?
K21 C108 O103 K11 -95.68(10) 2_676 . . . ?
K21 C109 C110 O104 -61.59(14) 2_676 . . . ?
K21 C109 C110 O104 -145.27(16) 1_556 . . . ?
K21 C109 C110 K21 83.68(4) 2_676 . . 1_556 ?
K21 C109 C110 K21 -83.68(4) 1_556 . . 2_676 ?
K21 C109 O103 C108 -106.49(16) 2_676 . . . ?
K21 C109 O103 C108 82.9(2) 1_556 . . . ?
K21 C109 O103 K11 32.60(19) 2_676 . . . ?
K21 C109 O103 K11 -138.01(15) 1_556 . . . ?
K21 C109 O103 K21 -170.6(3) 1_556 . . 2_676 ?
K21 C110 O104 C111 60.7(2) 1_556 . . . ?
K21 C110 O104 C111 92.21(14) 2_676 . . . ?
K21 C110 O104 K11 -174.81(10) 1_556 . . . ?
K21 C110 O104 K11 -143.34(9) 2_676 . . . ?
K21 C110 O104 K21 31.47(18) 2_676 . . 1_556 ?
K21 C110 O104 K21 -31.47(18) 1_556 . . 2_676 ?
K21 C111 C112 N102 -143.95(17) 2_676 . . . ?
K21 C111 C112 N102 -169.12(13) 1_556 . . . ?
K21 C111 C112 K21 -25.2(2) 1_556 . . 2_676 ?
K21 C111 O104 C110 -107.35(14) 2_676 . . . ?
K21 C111 O104 C110 -30.34(13) 1_556 . . . ?
K21 C111 O104 K11 129.56(7) 2_676 . . . ?
K21 C111 O104 K11 -153.43(7) 1_556 . . . ?
K21 C111 O104 K21 -77.010(15) 2_676 . . 1_556 ?
K21 C111 O104 K21 77.010(15) 1_556 . . 2_676 ?
K21 C112 N102 C106 161.35(13) 2_676 . . . ?
K21 C112 N102 C118 40.7(2) 2_676 . . . ?
K21 C112 N102 K11 -80.77(16) 2_676 . . . ?
K21 C115 C116 O106 101.7(2) 2_676 . . . ?
K21 C115 O105 C114 155.06(14) 2_676 . . . ?
K21 C115 O105 K11 -66.71(8) 2_676 . . . ?
K21 C116 O106 C117 -32.04(13) 2_676 . . . ?
K21 C116 O106 K11 91.63(6) 2_676 . . . ?
K21 C117 C118 N102 72.80(16) 2_676 . . . ?
K21 C117 O106 C116 55.38(19) 2_676 . . . ?
K21 C117 O106 K11 -68.79(14) 2_676 . . . ?
K21 C118 N102 C106 -142.39(13) 2_676 . . . ?
K21 C118 N102 C112 -22.12(13) 2_676 . . . ?
K21 C118 N102 K11 98.84(7) 2_676 . . . ?
K21 C201 C202 K21 -166.02(4) . . . 2_665 ?
K21 C201 C202 K21 166.02(4) 2_665 . . . ?
K21 C201 C202 O201 131.32(15) 2_665 . . . ?
K21 C201 C202 O201 -34.69(13) . . . . ?
K21 C201 N201 C207 -69.2(3) 2_665 . . . ?
K21 C201 N201 C207 119.00(16) . . . . ?
K21 C201 N201 C213 -120.55(16) . . . . ?
K21 C201 N201 C213 51.2(3) 2_665 . . . ?
K21 C201 N201 K21 -171.8(2) . . . 2_665 ?
K21 C201 N201 K21 171.8(2) 2_665 . . . ?
K21 C202 O201 C203 -78.95(17) 2_665 . . . ?
K21 C202 O201 C203 124.79(17) . . . . ?
K21 C202 O201 K21 156.26(6) 2_665 . . . ?
K21 C202 O201 K21 -156.26(6) . . . 2_665 ?
K21 C203 C204 K21 125.69(13) 2_665 . . . ?
K21 C203 C204 O202 154.29(11) 2_665 . . . ?
K21 C203 C204 O202 28.60(14) . . . . ?
K21 C203 O201 C202 42.08(12) 2_665 . . . ?
K21 C203 O201 C202 -128.23(16) . . . . ?
K21 C203 O201 K21 170.32(8) 2_665 . . . ?
K21 C203 O201 K21 -170.32(8) . . . 2_665 ?
K21 C204 O202 C205 -140.11(19) . . . . ?
K21 C205 C206 K21 177.35(7) . . . 2_775 ?
K21 C205 C206 K21 -177.35(7) 2_775 . . . ?
K21 C205 C206 N202 152.5(2) 2_775 . . . ?
K21 C205 C206 N202 -30.20(16) . . . . ?
K21 C205 O202 C204 -106.1(2) 2_775 . . . ?
K21 C205 O202 C204 138.81(19) . . . . ?
K21 C205 O202 K21 115.12(18) 2_775 . . . ?
K21 C206 N202 C212 -118.59(17) . . . . ?
K21 C206 N202 C212 69.40(18) 2_775 . . . ?
K21 C206 N202 C218 -51.75(19) 2_775 . . . ?
K21 C206 N202 C218 120.26(17) . . . . ?
K21 C206 N202 K21 172.01(5) . . . 2_775 ?
K21 C206 N202 K21 -172.01(5) 2_775 . . . ?
K21 C206 N202 K21 88.40(11) 2_775 . . 2_675 ?
K21 C206 N202 K21 -99.60(10) . . . 2_675 ?
K21 C207 C208 K21 -63.5(6) . . . 2_675 ?
K21 C207 C208 O203 -36.83(13) . . . . ?
K21 C207 N201 C201 -118.61(16) . . . . ?
K21 C207 N201 C213 120.57(16) . . . . ?
K21 C207 N201 K21 -137.49(9) . . . 2_665 ?
K21 C208 O203 C209 9.13(12) 2_675 . . . ?
K21 C208 O203 C209 136.90(19) . . . . ?
K21 C208 O203 K21 -127.77(11) 2_675 . . . ?
K21 C208 O203 K21 127.77(11) . . . 2_675 ?
K21 C209 C210 K21 140.38(5) . . . 2_675 ?
K21 C209 C210 K21 -140.38(5) 2_675 . . . ?
K21 C209 C210 O204 37.26(15) . . . . ?
K21 C209 C210 O204 -103.12(17) 2_675 . . . ?
K21 C209 O203 C208 -135.3(2) . . . . ?
K21 C209 O203 C208 -89.9(8) 2_675 . . . ?
K21 C209 O203 K21 -45.5(8) . . . 2_675 ?
K21 C209 O203 K21 45.5(8) 2_675 . . . ?
K21 C210 O204 C211 77.74(15) 2_675 . . . ?
K21 C210 O204 C211 -128.36(18) . . . . ?
K21 C210 O204 K21 153.90(5) . . . 2_675 ?
K21 C210 O204 K21 -153.90(5) 2_675 . . . ?
K21 C211 C212 K21 125.19(8) . . . 2_675 ?
K21 C211 C212 K21 -149.6(2) . . . 2_775 ?
K21 C211 C212 K21 85.2(3) 2_675 . . 2_775 ?
K21 C211 C212 K21 -125.19(8) 2_675 . . . ?
K21 C211 C212 N202 -33.51(16) . . . . ?
K21 C211 C212 N202 -158.71(13) 2_675 . . . ?
K21 C211 O204 C210 -65.25(15) 2_675 . . . ?
K21 C211 O204 C210 126.82(19) . . . . ?
K21 C211 O204 K21 167.93(8) 2_675 . . . ?
K21 C211 O204 K21 -167.93(8) . . . 2_675 ?
K21 C212 N202 C206 109.7(4) 2_675 . . . ?
K21 C212 N202 C206 119.14(18) . . . . ?
K21 C212 N202 C206 -42.96(13) 2_775 . . . ?
K21 C212 N202 C218 77.83(15) 2_775 . . . ?
K21 C212 N202 C218 -129.5(3) 2_675 . . . ?
K21 C212 N202 C218 -120.1(2) . . . . ?
K21 C212 N202 K21 -162.10(8) 2_775 . . . ?
K21 C212 N202 K21 -152.6(4) 2_775 . . 2_675 ?
K21 C212 N202 K21 -9.5(4) 2_675 . . . ?
K21 C212 N202 K21 162.09(8) . . . 2_775 ?
K21 C212 N202 K21 152.6(4) 2_675 . . 2_775 ?
K21 C212 N202 K21 9.5(4) . . . 2_675 ?
K21 C213 C214 O205 -35.67(13) . . . . ?
K21 C213 N201 C201 119.32(16) . . . . ?
K21 C213 N201 C207 -119.72(17) . . . . ?
K21 C213 N201 K21 134.72(8) . . . 2_665 ?
K21 C214 O205 C215 133.40(18) . . . . ?
K21 C215 C216 O206 38.14(14) . . . . ?
K21 C215 O205 C214 -133.67(18) . . . . ?
K21 C216 O206 C217 -125.26(19) . . . . ?
K21 C217 C218 K21 -132.86(7) . . . 2_775 ?
K21 C217 C218 N202 -30.55(19) . . . . ?
K21 C217 O206 C216 123.97(18) . . . . ?
K21 C218 N202 C206 -119.82(18) . . . . ?
K21 C218 N202 C206 35.66(15) 2_775 . . . ?
K21 C218 N202 C212 -85.43(15) 2_775 . . . ?
K21 C218 N202 C212 119.1(2) . . . . ?
K21 C218 N202 K21 -101.77(8) 2_775 . . 2_675 ?
K21 C218 N202 K21 -155.48(7) . . . 2_775 ?
K21 C218 N202 K21 155.48(7) 2_775 . . . ?
K21 C218 N202 K21 102.75(13) . . . 2_675 ?
K21 C301 C302 K21 -156.12(7) 1_455 . . . ?
K21 C301 C302 K21 156.12(7) . . . 1_455 ?
K21 C301 C302 C303 123.6(2) . . . . ?
K21 C301 C302 C303 -32.5(2) 1_455 . . . ?
K21 C301 C302 C307 148.25(15) 1_455 . . . ?
K21 C301 C302 C307 -55.64(12) . . . . ?
K21 C301 N301 K21 -134.17(17) 1_455 . . . ?
K21 C301 N301 C308 -79.7(2) 1_455 . . . ?
K21 C301 N301 C308 54.42(12) . . . . ?
K21 C301 N301 Sn31 -124.84(13) . . . . ?
K21 C301 N301 Sn31 101.0(2) 1_455 . . . ?
K21 C301 N308 K21 121.47(9) 1_455 . . . ?
K21 C301 N308 K21 -121.47(9) . . . 1_455 ?
K21 C301 N308 C332 92.0(2) . . . . ?
K21 C301 N308 C332 -146.5(2) 1_455 . . . ?
K21 C302 C303 K21 -179.0(2) 1_455 . . 2_675 ?
K21 C302 C303 K21 173.92(7) . . . 1_455 ?
K21 C302 C303 K21 -173.92(7) 1_455 . . . ?
K21 C302 C303 K21 -5.05(17) . . . 2_675 ?
K21 C302 C303 C304 135.4(3) 1_455 . . . ?
K21 C302 C303 C304 -50.7(2) . . . . ?
K21 C302 C303 Cl31 -44.69(10) 1_455 . . . ?
K21 C302 C303 Cl31 129.23(12) . . . . ?
K21 C302 C307 K21 136.07(10) . . . 1_455 ?
K21 C302 C307 K21 -136.07(10) 1_455 . . . ?
K21 C302 C307 C306 -56.9(2) 1_455 . . . ?
K21 C302 C307 C306 79.14(17) . . . . ?
K21 C302 C307 C308 127.26(15) 1_455 . . . ?
K21 C302 C307 C308 -96.67(16) . . . . ?
K21 C303 C304 K21 -165.50(3) 1_455 . . . ?
K21 C303 C304 K21 87.08(13) 2_675 . . 1_455 ?
K21 C303 C304 K21 165.50(3) . . . 1_455 ?
K21 C303 C304 K21 -78.41(12) 2_675 . . . ?
K21 C303 C304 K21 -87.08(13) 1_455 . . 2_675 ?
K21 C303 C304 K21 78.41(12) . . . 2_675 ?
K21 C303 C304 C305 145.07(16) 1_455 . . . ?
K21 C303 C304 C305 -127.8(3) 2_675 . . . ?
K21 C303 C304 C305 -49.43(16) . . . . ?
K21 C303 C304 Cl32 130.05(16) . . . . ?
K21 C303 C304 Cl32 51.64(12) 2_675 . . . ?
K21 C303 C304 Cl32 -35.45(16) 1_455 . . . ?
K21 C303 Cl31 K21 -159.19(4) . . . 1_455 ?
K21 C303 Cl31 K21 -62.58(8) . . . 2_675 ?
K21 C303 Cl31 K21 96.60(6) 1_455 . . 2_675 ?
K21 C303 Cl31 K21 -96.60(6) 2_675 . . 1_455 ?
K21 C303 Cl31 K21 62.58(8) 2_675 . . . ?
K21 C303 Cl31 K21 159.19(4) 1_455 . . . ?
K21 C304 C305 K21 -115.8(2) 1_455 . . 2_675 ?
K21 C304 C305 K21 115.8(2) 2_675 . . 1_455 ?
K21 C304 C305 K21 -71.05(8) 2_675 . . . ?
K21 C304 C305 K21 71.05(8) . . . 2_675 ?
K21 C304 C305 K21 173.17(12) 1_455 . . . ?
K21 C304 C305 K21 -173.17(12) . . . 1_455 ?
K21 C304 C305 C306 -148.97(17) 2_675 . . . ?
K21 C304 C305 C306 95.3(3) 1_455 . . . ?
K21 C304 C305 C306 -77.92(18) . . . . ?
K21 C304 C305 Cl33 -87.0(2) 1_455 . . . ?
K21 C304 C305 Cl33 28.82(13) 2_675 . . . ?
K21 C304 C305 Cl33 99.87(16) . . . . ?
K21 C304 Cl32 K21 162.79(8) 2_675 . . 1_455 ?
K21 C304 Cl32 K21 4.28(11) 2_675 . . . ?
K21 C304 Cl32 K21 158.51(4) . . . 1_455 ?
K21 C304 Cl32 K21 -162.79(8) 1_455 . . 2_675 ?
K21 C304 Cl32 K21 -4.28(11) . . . 2_675 ?
K21 C304 Cl32 K21 -158.51(4) 1_455 . . . ?
K21 C305 C306 K21 -149.6(3) 2_675 . . 1_455 ?
K21 C305 C306 K21 -6.5(2) 2_675 . . . ?
K21 C305 C306 K21 -143.10(5) . . . 1_455 ?
K21 C305 C306 K21 143.10(5) 1_455 . . . ?
K21 C305 C306 C307 33.6(2) 1_455 . . . ?
K21 C305 C306 C307 -115.9(2) 2_675 . . . ?
K21 C305 C306 C307 -109.48(19) . . . . ?
K21 C305 C306 Cl34 -149.58(9) 1_455 . . . ?
K21 C305 C306 Cl34 67.32(12) . . . . ?
K21 C305 C306 Cl34 60.9(3) 2_675 . . . ?
K21 C305 Cl33 K21 -69.67(7) 1_455 . . 2_675 ?
K21 C305 Cl33 K21 -81.06(4) 2_675 . . . ?
K21 C305 Cl33 K21 69.67(7) 2_675 . . 1_455 ?
K21 C305 Cl33 K21 -150.73(5) 1_455 . . . ?
K21 C305 Cl33 K21 81.06(4) . . . 2_675 ?
K21 C305 Cl33 K21 150.73(5) . . . 1_455 ?
K21 C306 C307 K21 138.68(3) 1_455 . . . ?
K21 C306 C307 K21 -138.68(3) . . . 1_455 ?
K21 C306 C307 C302 29.19(14) 1_455 . . . ?
K21 C306 C307 C302 -109.49(16) . . . . ?
K21 C306 C307 C308 -156.3(2) 1_455 . . . ?
K21 C306 C307 C308 65.0(2) . . . . ?
K21 C306 Cl34 K21 -156.73(15) 1_455 . . . ?
K21 C307 C308 K21 151.66(10) 1_455 . . . ?
K21 C307 C308 N301 -116.40(13) . . . . ?
K21 C307 C308 N301 35.3(2) 1_455 . . . ?
K21 C307 C308 N302 62.47(19) . . . . ?
K21 C307 C308 N302 -145.87(14) 1_455 . . . ?
K21 C308 N301 C301 -88.18(15) . . . . ?
K21 C308 N301 Sn31 91.08(13) . . . . ?
K21 C308 N302 C309 -113.17(19) . . . . ?
K21 C309 C310 C311 60.5(2) . . . . ?
K21 C309 C310 C315 -117.82(13) . . . . ?
K21 C309 N302 C308 107.26(19) . . . . ?
K21 C309 N303 C316 94.58(15) . . . . ?
K21 C309 N303 Sn31 -76.97(14) . . . . ?
K21 C310 C311 C312 -113.97(18) . . . . ?
K21 C310 C311 Cl35 66.43(13) . . . . ?
K21 C310 C315 C314 90.13(19) . . . . ?
K21 C310 C315 C316 -90.85(15) . . . . ?
K21 C311 C312 C313 -107.98(17) . . . . ?
K21 C311 C312 Cl36 69.71(15) . . . . ?
K21 C312 C313 C314 -69.0(2) . . . . ?
K21 C312 C313 Cl37 110.79(13) . . . . ?
K21 C313 C314 C315 -48.45(17) . . . . ?
K21 C313 C314 Cl38 129.45(12) . . . . ?
K21 C314 C315 C310 -55.89(15) . . . . ?
K21 C314 C315 C316 125.4(2) . . . . ?
K21 C315 C316 N303 -52.41(14) . . . . ?
K21 C315 C316 N304 128.56(17) . . . . ?
K21 C316 N303 C309 -53.93(12) . . . . ?
K21 C316 N303 Sn31 117.61(14) . . . . ?
K21 C316 N304 C317 -88.8(2) . . . . ?
K21 C317 C318 C319 115.3(2) 2_665 . . . ?
K21 C317 C318 C323 -61.27(13) 2_665 . . . ?
K21 C317 N304 C316 85.64(19) 2_665 . . . ?
K21 C317 N305 C324 69.70(13) 2_665 . . . ?
K21 C317 N305 Sn31 -111.18(13) 2_665 . . . ?
K21 C318 C319 C320 -73.52(18) 2_665 . . . ?
K21 C318 C319 Cl39 104.21(13) 2_665 . . . ?
K21 C318 C323 C322 103.01(18) 2_665 . . . ?
K21 C318 C323 C324 -79.90(14) 2_665 . . . ?
K21 C319 C320 C321 -59.74(18) 2_665 . . . ?
K21 C319 C320 Cl40 118.40(13) 2_665 . . . ?
K21 C320 C321 K21 111.9(5) 2_665 . . 1_445 ?
K21 C320 C321 C322 -61.21(17) 2_665 . . . ?
K21 C320 C321 Cl1 120.18(15) 2_665 . . . ?
K21 C320 Cl40 K21 2.27(8) 2_665 . . 1_545 ?
K21 C321 C322 K21 91.90(6) 2_665 . . 1_445 ?
K21 C321 C322 K21 -91.90(6) 1_445 . . 2_665 ?
K21 C321 C322 C323 -89.36(18) 2_665 . . . ?
K21 C321 C322 C323 178.74(19) 1_445 . . . ?
K21 C321 C322 Cl2 92.09(15) 2_665 . . . ?
K21 C321 C322 Cl2 0.20(11) 1_445 . . . ?
K21 C321 Cl1 K21 -60.55(7) 2_665 . . 1_445 ?
K21 C322 C323 K21 -72.65(17) 1_445 . . 2_665 ?
K21 C322 C323 C318 174.94(12) 1_445 . . . ?
K21 C322 C323 C318 -112.42(17) 2_665 . . . ?
K21 C322 C323 C324 71.4(2) 2_665 . . . ?
K21 C322 C323 C324 -1.2(4) 1_445 . . . ?
K21 C322 Cl2 K21 110.25(13) 2_665 . . 1_445 ?
K21 C322 Cl2 K21 -110.25(13) 1_445 . . 2_665 ?
K21 C323 C324 N305 -107.24(14) 2_665 . . . ?
K21 C323 C324 N306 71.51(18) 2_665 . . . ?
K21 C324 N305 C317 -98.24(14) 2_665 . . . ?
K21 C324 N305 Sn31 82.64(12) 2_665 . . . ?
K21 C324 N306 C325 -95.98(18) 2_665 . . . ?
K21 C325 C326 C327 73.2(2) 2_665 . . . ?
K21 C325 C326 C331 -106.85(14) 2_665 . . . ?
K21 C325 N306 C324 99.62(18) 2_665 . . . ?
K21 C325 N307 C332 94.87(14) 2_665 . . . ?
K21 C325 N307 Sn31 -90.61(12) 2_665 . . . ?
K21 C326 C327 K21 90.79(19) 2_665 . . 1_445 ?
K21 C326 C327 K21 -134.68(16) 2_665 . . 2_565 ?
K21 C326 C327 C328 -111.26(18) 2_665 . . . ?
K21 C326 C327 Cl43 67.64(14) 2_665 . . . ?
K21 C326 C331 K21 153.27(14) 2_665 . . 1_455 ?
K21 C326 C331 C330 94.41(17) 2_665 . . . ?
K21 C326 C331 C332 -84.89(14) 2_665 . . . ?
K21 C327 C328 K21 -94.97(6) 1_445 . . 2_665 ?
K21 C327 C328 K21 -122.98(7) 2_665 . . 1_455 ?
K21 C327 C328 K21 115.14(18) 2_665 . . 2_565 ?
K21 C327 C328 K21 94.97(6) 2_665 . . 1_445 ?
K21 C327 C328 K21 -115.14(18) 2_565 . . 2_665 ?
K21 C327 C328 K21 142.05(6) 1_445 . . 1_455 ?
K21 C327 C328 K21 20.2(2) 1_445 . . 2_565 ?
K21 C327 C328 K21 121.9(2) 2_565 . . 1_455 ?
K21 C327 C328 K21 -20.2(2) 2_565 . . 1_445 ?
K21 C327 C328 C329 -94.31(19) 2_665 . . . ?
K21 C327 C328 C329 170.72(17) 1_445 . . . ?
K21 C327 C328 C329 150.6(4) 2_565 . . . ?
K21 C327 C328 Cl44 85.83(15) 2_665 . . . ?
K21 C327 C328 Cl44 -29.31(12) 2_565 . . . ?
K21 C327 C328 Cl44 -9.14(14) 1_445 . . . ?
K21 C327 Cl43 K21 -11.66(11) 2_565 . . 1_445 ?
K21 C327 Cl43 K21 11.66(11) 1_445 . . 2_565 ?
K21 C327 Cl43 K21 -119.672(18) 2_665 . . 2_565 ?
K21 C327 Cl43 K21 131.33(10) 1_445 . . 2_665 ?
K21 C327 Cl43 K21 119.672(18) 2_565 . . 2_665 ?
K21 C327 Cl43 K21 -131.33(10) 2_665 . . 1_445 ?
K21 C328 C329 K21 -157.26(17) 2_665 . . 1_455 ?
K21 C328 C329 K21 -129.90(5) 2_565 . . 2_665 ?
K21 C328 C329 K21 157.26(17) 1_455 . . 2_665 ?
K21 C328 C329 K21 62.2(5) 1_445 . . 1_455 ?
K21 C328 C329 K21 72.8(2) 2_565 . . 1_455 ?
K21 C328 C329 K21 -10.6(3) 1_445 . . 2_565 ?
K21 C328 C329 K21 129.90(5) 2_665 . . 2_565 ?
K21 C328 C329 K21 -72.8(2) 1_455 . . 2_565 ?
K21 C328 C329 K21 -140.5(4) 1_445 . . 2_665 ?
K21 C328 C329 C330 -65.0(2) 2_665 . . . ?
K21 C328 C329 C330 165.14(18) 2_565 . . . ?
K21 C328 C329 C330 92.3(3) 1_455 . . . ?
K21 C328 C329 C330 154.5(2) 1_445 . . . ?
K21 C328 C329 Cl45 -89.5(2) 1_455 . . . ?
K21 C328 C329 Cl45 113.25(13) 2_665 . . . ?
K21 C328 C329 Cl45 -16.66(14) 2_565 . . . ?
K21 C328 C329 Cl45 -27.3(4) 1_445 . . . ?
K21 C328 Cl44 K21 -0.07(13) 1_455 . . 2_565 ?
K21 C328 Cl44 K21 75.49(7) 2_665 . . 1_445 ?
K21 C328 Cl44 K21 146.26(7) 1_455 . . 2_665 ?
K21 C328 Cl44 K21 -146.33(6) 2_665 . . 2_565 ?
K21 C328 Cl44 K21 -75.49(7) 1_445 . . 2_665 ?
K21 C328 Cl44 K21 -138.25(4) 1_455 . . 1_445 ?
K21 C328 Cl44 K21 146.33(6) 2_565 . . 2_665 ?
K21 C328 Cl44 K21 -138.18(13) 2_565 . . 1_445 ?
K21 C328 Cl44 K21 138.18(13) 1_445 . . 2_565 ?
K21 C329 C330 K21 -161.5(3) 2_565 . . 2_665 ?
K21 C329 C330 K21 -3.2(3) 2_565 . . 1_455 ?
K21 C329 C330 K21 158.29(5) 2_665 . . 1_455 ?
K21 C329 C330 K21 -158.29(5) 1_455 . . 2_665 ?
K21 C329 C330 C331 143.8(2) 1_455 . . . ?
K21 C329 C330 C331 -57.87(17) 2_665 . . . ?
K21 C329 C330 C331 140.6(2) 2_565 . . . ?
K21 C329 C330 Cl46 121.69(14) 2_665 . . . ?
K21 C329 C330 Cl46 -36.60(10) 1_455 . . . ?
K21 C329 C330 Cl46 -39.8(4) 2_565 . . . ?
K21 C329 Cl45 K21 -137.56(5) 2_665 . . 1_455 ?
K21 C329 Cl45 K21 121.86(7) 2_565 . . 1_455 ?
K21 C329 Cl45 K21 -121.86(7) 1_455 . . 2_565 ?
K21 C329 Cl45 K21 100.58(7) 2_665 . . 2_565 ?
K21 C330 C331 K21 -153.33(6) 1_455 . . 2_665 ?
K21 C330 C331 K21 153.33(6) 2_665 . . 1_455 ?
K21 C330 C331 C326 139.40(15) 1_455 . . . ?
K21 C330 C331 C326 -67.27(16) 2_665 . . . ?
K21 C330 C331 C332 -41.5(3) 1_455 . . . ?
K21 C330 C331 C332 111.8(2) 2_665 . . . ?
K21 C330 Cl46 K21 178.090(17) 2_665 . . 1_455 ?
K21 C331 C332 K21 146.73(3) 2_665 . . 1_455 ?
K21 C331 C332 K21 -146.73(3) 1_455 . . 2_665 ?
K21 C331 C332 N307 151.68(12) 1_455 . . . ?
K21 C331 C332 N307 -61.59(13) 2_665 . . . ?
K21 C331 C332 N308 -28.02(19) 1_455 . . . ?
K21 C331 C332 N308 118.71(18) 2_665 . . . ?
K21 C332 N307 K21 161.46(19) 1_455 . . 2_665 ?
K21 C332 N307 C325 92.2(3) 1_455 . . . ?
K21 C332 N307 C325 -69.22(13) 2_665 . . . ?
K21 C332 N307 Sn31 116.27(13) 2_665 . . . ?
K21 C332 N307 Sn31 -82.3(2) 1_455 . . . ?
K21 C332 N308 K21 -168.03(13) 1_455 . . . ?
K21 C332 N308 K21 -38.63(13) 2_665 . . . ?
K21 C332 N308 K21 129.40(6) 2_665 . . 1_455 ?
K21 C332 N308 C301 143.3(2) 1_455 . . . ?
K21 C332 N308 C301 -87.3(2) 2_665 . . . ?
N201 C201 C202 K21 -31.92(15) . . . . ?
N201 C201 C202 K21 162.06(15) . . . 2_665 ?
N201 C201 C202 O201 -66.6(2) . . . . ?
N201 C207 C208 K21 -29.51(15) . . . . ?
N201 C207 C208 K21 -93.0(6) . . . 2_675 ?
N201 C207 C208 O203 -66.3(2) . . . . ?
N201 C213 C214 K21 -30.41(15) . . . . ?
N201 C213 C214 O205 -66.1(2) . . . . ?
O201 C203 C204 K21 39.44(14) . . . . ?
O201 C203 C204 O202 68.0(2) . . . . ?
O202 C205 C206 K21 143.66(12) . . . 2_775 ?
O202 C205 C206 K21 -33.69(13) . . . . ?
O202 C205 C206 N202 -63.9(2) . . . . ?
O203 C209 C210 K21 28.77(14) . . . . ?
O203 C209 C210 K21 169.15(14) . . . 2_675 ?
O203 C209 C210 O204 66.0(2) . . . . ?
O204 C211 C212 K21 -36.19(14) . . . . ?
O204 C211 C212 K21 174.22(16) . . . 2_775 ?
O204 C211 C212 K21 89.01(17) . . . 2_675 ?
O204 C211 C212 N202 -69.7(2) . . . . ?
O205 C215 C216 K21 31.89(14) . . . . ?
O205 C215 C216 O206 70.0(2) . . . . ?
O206 C217 C218 K21 -38.71(14) . . . . ?
O206 C217 C218 K21 -171.57(13) . . . 2_775 ?
O206 C217 C218 N202 -69.3(3) . . . . ?
C301 C302 C303 K21 -124.4(2) . . . . ?
C301 C302 C303 K21 49.5(3) . . . 1_455 ?
C301 C302 C303 K21 -129.44(19) . . . 2_675 ?
C301 C302 C303 C304 -175.0(2) . . . . ?
C301 C302 C303 Cl31 4.9(3) . . . . ?
C301 C302 C307 K21 95.50(15) . . . . ?
C301 C302 C307 K21 -128.4(2) . . . 1_455 ?
C301 C302 C307 C306 174.63(17) . . . . ?
C301 C302 C307 C308 -1.2(2) . . . . ?
C302 C301 N301 K21 -54.57(14) . . . . ?
C302 C301 N301 C308 -0.1(2) . . . . ?
C302 C301 N301 Sn31 -179.41(12) . . . . ?
C302 C301 N308 K21 88.3(2) . . . . ?
C302 C301 N308 K21 -33.2(2) . . . 1_455 ?
C302 C301 N308 C332 -179.68(19) . . . . ?
C302 C303 C304 K21 -145.5(2) . . . 1_455 ?
C302 C303 C304 K21 127.37(16) . . . 2_675 ?
C302 C303 C304 K21 48.96(19) . . . . ?
C302 C303 C304 C305 -0.5(3) . . . . ?
C302 C303 C304 Cl32 179.01(15) . . . . ?
C302 C303 Cl31 K21 -150.11(17) . . . 2_675 ?
C302 C303 Cl31 K21 113.29(15) . . . 1_455 ?
C302 C303 Cl31 K21 -87.53(18) . . . . ?
C302 C307 C308 K21 117.48(14) . . . . ?
C302 C307 C308 N301 1.1(2) . . . . ?
C302 C307 C308 N302 179.95(18) . . . . ?
C303 C302 C307 K21 -83.90(18) . . . . ?
C303 C302 C307 K21 52.17(16) . . . 1_455 ?
C303 C302 C307 C306 -4.8(3) . . . . ?
C303 C302 C307 C308 179.43(17) . . . . ?
C303 C304 C305 K21 -98.0(3) . . . 1_455 ?
C303 C304 C305 K21 146.21(19) . . . 2_675 ?
C303 C304 C305 K21 75.2(2) . . . . ?
C303 C304 C305 C306 -2.8(3) . . . . ?
C303 C304 C305 Cl33 175.02(16) . . . . ?
C303 C304 Cl32 K21 -125.19(15) . . . 2_675 ?
C303 C304 Cl32 K21 37.60(18) . . . 1_455 ?
C303 C304 Cl32 K21 -120.9(2) . . . . ?
C304 C303 Cl31 K21 92.36(19) . . . . ?
C304 C303 Cl31 K21 29.77(15) . . . 2_675 ?
C304 C303 Cl31 K21 -66.83(19) . . . 1_455 ?
C304 C305 C306 K21 111.59(17) . . . . ?
C304 C305 C306 K21 -31.51(13) . . . 1_455 ?
C304 C305 C306 C307 2.1(3) . . . . ?
C304 C305 C306 Cl34 178.91(15) . . . . ?
C304 C305 Cl33 K21 -120.62(16) . . . . ?
C304 C305 Cl33 K21 30.11(13) . . . 1_455 ?
C304 C305 Cl33 K21 -39.56(18) . . . 2_675 ?
C305 C304 Cl32 K21 58.58(14) . . . . ?
C305 C304 Cl32 K21 -142.91(14) . . . 1_455 ?
C305 C304 Cl32 K21 54.30(19) . . . 2_675 ?
C305 C306 C307 K21 -27.56(19) . . . 1_455 ?
C305 C306 C307 K21 111.12(19) . . . . ?
C305 C306 C307 C302 1.6(3) . . . . ?
C305 C306 C307 C308 176.1(2) . . . . ?
C305 C306 Cl34 K21 -90.52(16) . . . . ?
C306 C305 Cl33 K21 138.22(14) . . . 2_675 ?
C306 C305 Cl33 K21 57.16(16) . . . . ?
C306 C305 Cl33 K21 -152.1(2) . . . 1_455 ?
C306 C307 C308 K21 -57.5(2) . . . . ?
C306 C307 C308 N301 -173.9(2) . . . . ?
C306 C307 C308 N302 5.0(4) . . . . ?
C307 C302 C303 K21 49.8(3) . . . 2_675 ?
C307 C302 C303 K21 -131.26(14) . . . 1_455 ?
C307 C302 C303 K21 54.82(14) . . . . ?
C307 C302 C303 C304 4.2(3) . . . . ?
C307 C302 C303 Cl31 -175.95(14) . . . . ?
C307 C306 Cl34 K21 86.29(16) . . . . ?
C307 C308 N301 K21 87.59(15) . . . . ?
C307 C308 N301 C301 -0.6(2) . . . . ?
C307 C308 N301 Sn31 178.67(12) . . . . ?
C307 C308 N302 K21 -64.98(19) . . . . ?
C307 C308 N302 C309 -178.15(19) . . . . ?
C309 C310 C311 K21 -61.9(2) . . . . ?
C309 C310 C311 C312 -175.86(19) . . . . ?
C309 C310 C311 Cl35 4.5(3) . . . . ?
C309 C310 C315 K21 88.02(15) . . . . ?
C309 C310 C315 C314 178.15(17) . . . . ?
C309 C310 C315 C316 -2.8(2) . . . . ?
C310 C309 N302 K21 68.1(2) . . . . ?
C310 C309 N302 C308 175.32(18) . . . . ?
C310 C309 N303 K21 -97.87(15) . . . . ?
C310 C309 N303 C316 -3.3(2) . . . . ?
C310 C309 N303 Sn31 -174.84(12) . . . . ?
C310 C311 C312 K21 104.79(19) . . . . ?
C310 C311 C312 C313 -3.2(3) . . . . ?
C310 C311 C312 Cl36 174.51(15) . . . . ?
C310 C311 Cl35 K21 -79.81(17) . . . . ?
C310 C315 C316 K21 53.28(12) . . . . ?
C310 C315 C316 N303 0.9(2) . . . . ?
C310 C315 C316 N304 -178.16(18) . . . . ?
C311 C310 C315 K21 -90.52(18) . . . . ?
C311 C310 C315 C314 -0.4(3) . . . . ?
C311 C310 C315 C316 178.63(17) . . . . ?
C311 C312 C313 K21 71.21(17) . . . . ?
C311 C312 C313 C314 2.2(3) . . . . ?
C311 C312 C313 Cl37 -177.99(15) . . . . ?
C311 C312 Cl36 K21 -54.94(15) . . . . ?
C312 C311 Cl35 K21 100.60(16) . . . . ?
C312 C313 C314 K21 48.20(16) . . . . ?
C312 C313 C314 C315 -0.3(3) . . . . ?
C312 C313 C314 Cl38 177.65(15) . . . . ?
C312 C313 Cl37 K21 -62.97(15) . . . . ?
C313 C312 Cl36 K21 122.78(16) . . . . ?
C313 C314 C315 K21 55.25(19) . . . . ?
C313 C314 C315 C310 -0.6(3) . . . . ?
C313 C314 C315 C316 -179.40(19) . . . . ?
C314 C313 Cl37 K21 116.85(19) . . . . ?
C314 C315 C316 K21 -127.8(2) . . . . ?
C314 C315 C316 N303 179.7(2) . . . . ?
C314 C315 C316 N304 0.7(3) . . . . ?
C315 C310 C311 K21 116.25(17) . . . . ?
C315 C310 C311 C312 2.3(3) . . . . ?
C315 C310 C311 Cl35 -177.31(15) . . . . ?
C315 C316 N303 K21 55.54(15) . . . . ?
C315 C316 N303 C309 1.6(2) . . . . ?
C315 C316 N303 Sn31 173.14(12) . . . . ?
C315 C316 N304 C317 178.57(18) . . . . ?
C317 C318 C319 K21 -108.7(2) . . . 2_665 ?
C317 C318 C319 C320 177.7(2) . . . . ?
C317 C318 C319 Cl39 -4.5(3) . . . . ?
C317 C318 C323 K21 81.71(14) . . . 2_665 ?
C317 C318 C323 C322 -175.29(17) . . . . ?
C317 C318 C323 C324 1.8(2) . . . . ?
C318 C317 N304 C316 -175.37(19) . . . . ?
C318 C317 N305 K21 -69.98(14) . . . 2_665 ?
C318 C317 N305 C324 -0.3(2) . . . . ?
C318 C317 N305 Sn31 178.84(12) . . . . ?
C318 C319 C320 K21 59.66(16) . . . 2_665 ?
C318 C319 C320 C321 -0.1(3) . . . . ?
C318 C319 C320 Cl40 178.06(15) . . . . ?
C318 C323 C324 K21 105.27(13) . . . 2_665 ?
C318 C323 C324 N305 -2.0(2) . . . . ?
C318 C323 C324 N306 176.78(18) . . . . ?
C319 C318 C323 K21 -95.49(17) . . . 2_665 ?
C319 C318 C323 C322 7.5(3) . . . . ?
C319 C318 C323 C324 -175.39(17) . . . . ?
C319 C320 C321 K21 177.9(3) . . . 1_445 ?
C319 C320 C321 K21 65.98(19) . . . 2_665 ?
C319 C320 C321 C322 4.8(3) . . . . ?
C319 C320 C321 Cl1 -173.84(15) . . . . ?
C319 C320 Cl40 K21 -95.16(16) . . . 1_545 ?
C320 C321 C322 K21 178.15(16) . . . 1_445 ?
C320 C321 C322 K21 86.26(19) . . . 2_665 ?
C320 C321 C322 C323 -3.1(3) . . . . ?
C320 C321 C322 Cl2 178.35(15) . . . . ?
C320 C321 Cl1 K21 -177.01(12) . . . 1_445 ?
C321 C320 Cl40 K21 83.03(16) . . . 1_545 ?
C321 C322 C323 K21 109.46(17) . . . 2_665 ?
C321 C322 C323 C318 -3.0(3) . . . . ?
C321 C322 C323 C324 -179.1(2) . . . . ?
C321 C322 Cl2 K21 -0.5(3) . . . 1_445 ?
C321 C322 Cl2 K21 -110.74(16) . . . 2_665 ?
C322 C321 Cl1 K21 4.4(2) . . . 1_445 ?
C322 C323 C324 K21 -78.2(2) . . . 2_665 ?
C322 C323 C324 N305 174.5(2) . . . . ?
C322 C323 C324 N306 -6.7(4) . . . . ?
C323 C318 C319 K21 67.56(15) . . . 2_665 ?
C323 C318 C319 C320 -6.0(3) . . . . ?
C323 C318 C319 Cl39 171.77(14) . . . . ?
C323 C322 Cl2 K21 70.72(16) . . . 2_665 ?
C323 C322 Cl2 K21 -179.03(10) . . . 1_445 ?
C323 C324 N305 K21 99.67(14) . . . 2_665 ?
C323 C324 N305 C317 1.4(2) . . . . ?
C323 C324 N305 Sn31 -177.69(12) . . . . ?
C323 C324 N306 K21 -82.67(19) . . . 2_665 ?
C323 C324 N306 C325 -178.65(19) . . . . ?
C325 C326 C327 K21 -71.9(2) . . . 2_665 ?
C325 C326 C327 K21 153.38(15) . . . 2_565 ?
C325 C326 C327 K21 18.8(4) . . . 1_445 ?
C325 C326 C327 C328 176.80(19) . . . . ?
C325 C326 C327 Cl43 -4.3(3) . . . . ?
C325 C326 C331 K21 -120.60(18) . . . 1_455 ?
C325 C326 C331 K21 86.13(13) . . . 2_665 ?
C325 C326 C331 C330 -179.46(17) . . . . ?
C325 C326 C331 C332 1.2(2) . . . . ?
C326 C325 N306 K21 80.60(18) . . . 2_665 ?
C326 C325 N306 C324 -179.78(18) . . . . ?
C326 C325 N307 K21 -92.19(13) . . . 2_665 ?
C326 C325 N307 C332 2.7(2) . . . . ?
C326 C325 N307 Sn31 177.20(12) . . . . ?
C326 C327 C328 K21 -168.17(19) . . . 1_445 ?
C326 C327 C328 K21 -148.00(17) . . . 2_565 ?
C326 C327 C328 K21 96.86(19) . . . 2_665 ?
C326 C327 C328 K21 -26.1(2) . . . 1_455 ?
C326 C327 C328 C329 2.5(3) . . . . ?
C326 C327 C328 Cl44 -177.31(15) . . . . ?
C326 C327 Cl43 K21 -74.22(17) . . . 2_665 ?
C326 C327 Cl43 K21 166.10(18) . . . 2_565 ?
C326 C327 Cl43 K21 154.45(12) . . . 1_445 ?
C326 C331 C332 K21 61.93(13) . . . 2_665 ?
C326 C331 C332 K21 -151.34(15) . . . 1_455 ?
C326 C331 C332 N307 0.3(2) . . . . ?
C326 C331 C332 N308 -179.36(19) . . . . ?
C327 C326 C331 K21 59.3(3) . . . 1_455 ?
C327 C326 C331 K21 -93.94(19) . . . 2_665 ?
C327 C326 C331 C330 0.5(3) . . . . ?
C327 C326 C331 C332 -178.83(18) . . . . ?
C327 C328 C329 K21 -91.6(3) . . . 1_455 ?
C327 C328 C329 K21 65.62(17) . . . 2_665 ?
C327 C328 C329 K21 -164.47(19) . . . 2_565 ?
C327 C328 C329 C330 0.7(3) . . . . ?
C327 C328 C329 Cl45 178.87(16) . . . . ?
C327 C328 Cl44 K21 151.67(12) . . . 2_565 ?
C327 C328 Cl44 K21 13.5(2) . . . 1_445 ?
C327 C328 Cl44 K21 -62.00(15) . . . 2_665 ?
C328 C327 Cl43 K21 -15.01(15) . . . 2_565 ?
C328 C327 Cl43 K21 104.67(16) . . . 2_665 ?
C328 C327 Cl43 K21 -26.7(2) . . . 1_445 ?
C328 C329 C330 K21 54.56(18) . . . 2_665 ?
C328 C329 C330 K21 -147.15(16) . . . 1_455 ?
C328 C329 C330 C331 -3.3(3) . . . . ?
C328 C329 C330 Cl46 176.25(16) . . . . ?
C328 C329 Cl45 K21 146.82(16) . . . 1_455 ?
C328 C329 Cl45 K21 25.0(2) . . . 2_565 ?
C329 C328 Cl44 K21 -28.2(2) . . . 2_565 ?
C329 C328 Cl44 K21 -166.37(13) . . . 1_445 ?
C329 C328 Cl44 K21 118.14(18) . . . 2_665 ?
C329 C330 C331 K21 70.02(19) . . . 2_665 ?
C329 C330 C331 K21 -136.6(2) . . . 1_455 ?
C329 C330 C331 C326 2.7(3) . . . . ?
C329 C330 C331 C332 -178.13(19) . . . . ?
C329 C330 Cl46 K21 73.99(19) . . . 1_455 ?
C330 C329 Cl45 K21 -34.97(17) . . . 1_455 ?
C330 C329 Cl45 K21 -156.83(13) . . . 2_565 ?
C330 C331 C332 K21 -117.3(2) . . . 2_665 ?
C330 C331 C332 K21 29.5(2) . . . 1_455 ?
C330 C331 C332 N307 -178.9(2) . . . . ?
C330 C331 C332 N308 1.4(3) . . . . ?
C331 C326 C327 K21 -26.5(3) . . . 2_565 ?
C331 C326 C327 K21 -161.08(14) . . . 1_445 ?
C331 C326 C327 K21 108.14(17) . . . 2_665 ?
C331 C326 C327 C328 -3.1(3) . . . . ?
C331 C326 C327 Cl43 175.78(15) . . . . ?
C331 C330 Cl46 K21 -106.46(16) . . . 1_455 ?
C331 C332 N307 K21 67.28(14) . . . 2_665 ?
C331 C332 N307 C325 -1.9(2) . . . . ?
C331 C332 N307 Sn31 -176.45(12) . . . . ?
C331 C332 N308 K21 34.6(2) . . . 1_455 ?
C331 C332 N308 K21 -133.38(16) . . . . ?
C331 C332 N308 C301 177.91(18) . . . . ?
Cl1 C321 C322 K21 -3.26(15) . . . 1_445 ?
Cl1 C321 C322 K21 -95.16(14) . . . 2_665 ?
Cl1 C321 C322 C323 175.48(15) . . . . ?
Cl1 C321 C322 Cl2 -3.1(2) . . . . ?
Cl2 C322 C323 K21 -72.00(13) . . . 2_665 ?
Cl2 C322 C323 C318 175.58(14) . . . . ?
Cl2 C322 C323 C324 -0.6(3) . . . . ?
Cl31 C303 C304 K21 -52.5(2) . . . 2_675 ?
Cl31 C303 C304 K21 34.57(11) . . . 1_455 ?
Cl31 C303 C304 K21 -130.93(12) . . . . ?
Cl31 C303 C304 C305 179.64(15) . . . . ?
Cl31 C303 C304 Cl32 -0.9(2) . . . . ?
Cl32 C304 C305 K21 -104.33(14) . . . . ?
Cl32 C304 C305 K21 82.5(2) . . . 1_455 ?
Cl32 C304 C305 K21 -33.28(12) . . . 2_675 ?
Cl32 C304 C305 C306 177.75(15) . . . . ?
Cl32 C304 C305 Cl33 -4.5(2) . . . . ?
Cl33 C305 C306 K21 -66.15(15) . . . . ?
Cl33 C305 C306 K21 150.7(2) . . . 1_455 ?
Cl33 C305 C306 C307 -175.63(15) . . . . ?
Cl33 C305 C306 Cl34 1.2(2) . . . . ?
Cl34 C306 C307 K21 155.67(12) . . . 1_455 ?
Cl34 C306 C307 K21 -65.65(12) . . . . ?
Cl34 C306 C307 C302 -175.14(14) . . . . ?
Cl34 C306 C307 C308 -0.6(3) . . . . ?
Cl35 C311 C312 K21 -75.60(13) . . . . ?
Cl35 C311 C312 C313 176.42(15) . . . . ?
Cl35 C311 C312 Cl36 -5.9(2) . . . . ?
Cl36 C312 C313 K21 -106.48(16) . . . . ?
Cl36 C312 C313 C314 -175.50(15) . . . . ?
Cl36 C312 C313 Cl37 4.3(2) . . . . ?
Cl37 C313 C314 K21 -131.62(14) . . . . ?
Cl37 C313 C314 C315 179.93(15) . . . . ?
Cl37 C313 C314 Cl38 -2.2(2) . . . . ?
Cl38 C314 C315 K21 -122.63(12) . . . . ?
Cl38 C314 C315 C310 -178.52(15) . . . . ?
Cl38 C314 C315 C316 2.7(3) . . . . ?
Cl39 C319 C320 K21 -118.10(13) . . . 2_665 ?
Cl39 C319 C320 C321 -177.83(15) . . . . ?
Cl39 C319 C320 Cl40 0.3(2) . . . . ?
Cl40 C320 C321 K21 -112.19(12) . . . 2_665 ?
Cl40 C320 C321 K21 -0.3(6) . . . 1_445 ?
Cl40 C320 C321 C322 -173.41(15) . . . . ?
Cl40 C320 C321 Cl1 8.0(2) . . . . ?
Cl43 C327 C328 K21 154.95(9) . . . 1_455 ?
Cl43 C327 C328 K21 -82.07(14) . . . 2_665 ?
Cl43 C327 C328 K21 33.1(3) . . . 2_565 ?
Cl43 C327 C328 K21 12.90(12) . . . 1_445 ?
Cl43 C327 C328 C329 -176.38(16) . . . . ?
Cl43 C327 C328 Cl44 3.8(2) . . . . ?
Cl44 C328 C329 K21 15.39(12) . . . 2_565 ?
Cl44 C328 C329 K21 88.2(3) . . . 1_455 ?
Cl44 C328 C329 K21 -114.52(16) . . . 2_665 ?
Cl44 C328 C329 C330 -179.47(15) . . . . ?
Cl44 C328 C329 Cl45 -1.3(2) . . . . ?
Cl45 C329 C330 K21 34.64(17) . . . 1_455 ?
Cl45 C329 C330 K21 -123.65(14) . . . 2_665 ?
Cl45 C329 C330 C331 178.49(15) . . . . ?
Cl45 C329 C330 Cl46 -2.0(2) . . . . ?
Cl46 C330 C331 K21 43.80(10) . . . 1_455 ?
Cl46 C330 C331 K21 -109.53(13) . . . 2_665 ?
Cl46 C330 C331 C326 -176.80(15) . . . . ?
Cl46 C330 C331 C332 2.3(3) . . . . ?
N301 C301 C302 K21 -147.43(12) . . . 1_455 ?
N301 C301 C302 K21 56.46(15) . . . . ?
N301 C301 C302 C303 -179.9(2) . . . . ?
N301 C301 C302 C307 0.8(2) . . . . ?
N301 C301 N308 K21 145.39(16) . . . 1_455 ?
N301 C301 N308 K21 -93.1(2) . . . . ?
N301 C301 N308 C332 -1.1(3) . . . . ?
N301 C308 N302 K21 113.67(18) . . . . ?
N301 C308 N302 C309 0.5(3) . . . . ?
N302 C308 N301 K21 -91.3(2) . . . . ?
N302 C308 N301 C301 -179.45(18) . . . . ?
N302 C308 N301 Sn31 -0.2(3) . . . . ?
N302 C309 C310 K21 -56.35(18) . . . . ?
N302 C309 C310 C311 4.1(3) . . . . ?
N302 C309 C310 C315 -174.17(18) . . . . ?
N302 C309 N303 K21 79.9(2) . . . . ?
N302 C309 N303 C316 174.5(2) . . . . ?
N302 C309 N303 Sn31 2.9(3) . . . . ?
N303 C309 C310 K21 121.55(13) . . . . ?
N303 C309 C310 C311 -178.0(2) . . . . ?
N303 C309 C310 C315 3.7(2) . . . . ?
N303 C309 N302 K21 -109.3(2) . . . . ?
N303 C309 N302 C308 -2.0(3) . . . . ?
N303 C316 N304 C317 -0.2(3) . . . . ?
N304 C316 N303 K21 -125.49(19) . . . . ?
N304 C316 N303 C309 -179.42(19) . . . . ?
N304 C316 N303 Sn31 -7.9(3) . . . . ?
N304 C317 C318 K21 -118.68(18) . . . 2_665 ?
N304 C317 C318 C319 -3.3(4) . . . . ?
N304 C317 C318 C323 -179.95(18) . . . . ?
N304 C317 N305 K21 109.00(18) . . . 2_665 ?
N304 C317 N305 C324 178.70(18) . . . . ?
N304 C317 N305 Sn31 -2.2(3) . . . . ?
N305 C317 C318 K21 60.31(13) . . . 2_665 ?
N305 C317 C318 C319 175.6(2) . . . . ?
N305 C317 C318 C323 -1.0(2) . . . . ?
N305 C317 N304 C316 5.8(3) . . . . ?
N305 C324 N306 K21 95.83(19) . . . 2_665 ?
N305 C324 N306 C325 -0.1(3) . . . . ?
N306 C324 N305 K21 -79.06(19) . . . 2_665 ?
N306 C324 N305 C317 -177.30(18) . . . . ?
N306 C324 N305 Sn31 3.6(3) . . . . ?
N306 C325 C326 K21 -76.29(18) . . . 2_665 ?
N306 C325 C326 C327 -3.1(3) . . . . ?
N306 C325 C326 C331 176.85(19) . . . . ?
N306 C325 N307 K21 88.7(2) . . . 2_665 ?
N306 C325 N307 C332 -176.5(2) . . . . ?
N306 C325 N307 Sn31 -2.0(3) . . . . ?
N307 C325 C326 K21 104.50(13) . . . 2_665 ?
N307 C325 C326 C327 177.7(2) . . . . ?
N307 C325 C326 C331 -2.4(2) . . . . ?
N307 C325 N306 K21 -100.4(2) . . . 2_665 ?
N307 C325 N306 C324 -0.8(3) . . . . ?
N307 C332 N308 K21 -144.98(16) . . . 1_455 ?
N307 C332 N308 K21 47.0(2) . . . . ?
N307 C332 N308 C301 -1.7(3) . . . . ?
N308 C301 C302 K21 31.4(2) . . . 1_455 ?
N308 C301 C302 K21 -124.73(17) . . . . ?
N308 C301 C302 C303 -1.1(4) . . . . ?
N308 C301 C302 C307 179.63(18) . . . . ?
N308 C301 N301 K21 126.62(17) . . . . ?
N308 C301 N301 C308 -178.96(18) . . . . ?
N308 C301 N301 Sn31 1.8(3) . . . . ?
N308 C332 N307 K21 -113.0(2) . . . 2_665 ?
N308 C332 N307 C325 177.7(2) . . . . ?
N308 C332 N307 Sn31 3.2(3) . . . . ?
