#------------------------------------------------------------------------------
#$Date: 2019-11-08 00:59:04 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224381 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/93/7049310.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_7049310
loop_
_publ_author_name
'Konarev, Dmitri V.'
'Kuzmin, Alexey V.'
'Shestakov, Alexander F.'
'Khasanov, Salavat S.'
'Lyubovskaya, Rimma N.'
_publ_section_title
;
 Coordination-induced metal-to-macrocycle charge transfer and effect of
 cations on reorientation of the CN ligand in the
 {SnL₂Mac}²⁻ dianions (L = CN⁻,
 OCN⁻, Im⁻; Mac = phthalo- or naphthalocyanine).
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4961
_journal_page_last               4972
_journal_paper_doi               10.1039/c9dt00655a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety
'C50 H24 N10 Sn, 2(C18 H36 K N2 O6), 4(C6 H4 Cl2)'
_chemical_formula_sum            'C110 H112 Cl8 K2 N14 O12 Sn'
_chemical_formula_weight         2302.62
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_date             2019-01-31
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-01-31 deposited with the CCDC.    2019-03-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.064(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.3794(4)
_cell_length_b                   13.9081(3)
_cell_length_c                   27.8398(8)
_cell_measurement_reflns_used    13767
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5570
_cell_measurement_theta_min      2.0840
_cell_volume                     5423.6(3)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 5.2283
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.903
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -13.00  56.00   1.00  100.00    --   15.86  57.00  30.00   69
  2  ω     42.00  77.00   1.00  100.00    --   15.86 178.00 150.00   35
  3  ω     -7.00  89.00   1.00  100.00    --   15.86  37.00 -60.00   96
  4  ω    -10.00  91.00   1.00  100.00    --   15.86  37.00-150.00  101
  5  ω    -99.00 -58.00   1.00  100.00    --  -16.01-178.00 -30.00   41
  6  ω    -22.00  16.00   1.00  100.00    --  -16.01 -99.00-180.00   38
;
_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  0.0557
_diffrn_reflns_av_unetI/netI     0.0815
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.903
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            58932
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.903
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.140
_diffrn_reflns_theta_min         1.645
_exptl_absorpt_coefficient_mu    0.576
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83423
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
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    1.410
_exptl_crystal_description       block
_exptl_crystal_F_000             2380
_exptl_crystal_size_max          0.287
_exptl_crystal_size_mid          0.131
_exptl_crystal_size_min          0.066
_refine_diff_density_max         1.154
_refine_diff_density_min         -0.801
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     562
_refine_ls_number_reflns         15808
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.1041
_refine_ls_R_factor_gt           0.0604
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0564P)²+1.3703P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1218
_refine_ls_wR_factor_ref         0.1375
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10050
_reflns_number_total             15808
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt00655a2.cif
_cod_data_source_block           sn2cnnc2crypt222kc6h4cl2
_cod_depositor_comments
'Adding full bibliography for 7049308--7049311.cif.'
_cod_database_code               7049310
_shelx_shelxl_version_number     2018/3
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C32) = Uanis(C33) = Uanis(C34) = Uanis(C35) = Uanis(C36) = Uanis(C31)
3.a Secondary CH2 refined with riding coordinates:
 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)
3.b Aromatic/amide H refined with riding coordinates:
 C121(H121), C114(H114), C109(H109), C102(H102), C33(H33), C34(H34), C35(H35),
 C36(H36), C119(H119), C118(H118), C117(H117), C116(H116), C107(H107),
 C106(H106), C105(H105), C104(H104)
;
_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
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Sn11 Sn 0.000000 0.500000 0.500000 0.02305(7) Uani 1 2 d S T P
K21 K 0.57320(4) 0.51207(4) 0.19331(2) 0.02858(14) Uani 1 1 d . . .
Cl31 Cl 0.13924(7) 0.56135(9) 0.24880(4) 0.0762(3) Uani 1 1 d . . .
Cl32 Cl 0.33420(8) 0.67769(10) 0.27116(4) 0.0819(4) Uani 1 1 d . . .
O201 O 0.38997(13) 0.58843(13) 0.17692(7) 0.0321(4) Uani 1 1 d . . .
O202 O 0.53576(14) 0.70235(13) 0.15690(7) 0.0313(4) Uani 1 1 d . . .
O203 O 0.57476(15) 0.41373(14) 0.28473(7) 0.0369(5) Uani 1 1 d . . .
O204 O 0.70858(15) 0.56408(14) 0.28016(7) 0.0367(5) Uani 1 1 d . . .
O205 O 0.54047(14) 0.34524(13) 0.13520(7) 0.0355(5) Uani 1 1 d . . .
O206 O 0.70832(14) 0.45153(14) 0.13796(7) 0.0334(5) Uani 1 1 d . . .
N101 N -0.09739(14) 0.27619(15) 0.46925(8) 0.0234(5) Uani 1 1 d . . .
N102 N 0.05257(14) 0.36501(15) 0.49106(8) 0.0240(5) Uani 1 1 d . . .
N103 N 0.22257(15) 0.40351(15) 0.50788(8) 0.0253(5) Uani 1 1 d . . .
N104 N 0.13708(14) 0.55584(15) 0.51445(8) 0.0238(5) Uani 1 1 d . . .
C121 C 0.04767(19) 0.10779(18) 0.46569(10) 0.0246(6) Uani 1 1 d . . .
H121 H -0.013976 0.083045 0.457485 0.030 Uiso 1 1 calc R . .
C114 C 0.23447(18) 0.18632(18) 0.48682(10) 0.0260(6) Uani 1 1 d . . .
H114 H 0.295026 0.213577 0.492418 0.031 Uiso 1 1 calc R . .
C109 C 0.39628(18) 0.54633(19) 0.54179(10) 0.0247(6) Uani 1 1 d . . .
H109 H 0.419760 0.485527 0.537205 0.030 Uiso 1 1 calc R . .
C102 C 0.32384(18) 0.73217(18) 0.55491(9) 0.0240(6) Uani 1 1 d . . .
H102 H 0.300073 0.793051 0.559049 0.029 Uiso 1 1 calc R . .
N124 N -0.03855(19) 0.5269(2) 0.37592(11) 0.0476(7) Uani 1 1 d . . .
N201 N 0.41180(18) 0.38279(17) 0.20223(9) 0.0346(6) Uani 1 1 d . . .
N202 N 0.73622(16) 0.64165(16) 0.18442(8) 0.0294(5) Uani 1 1 d . . .
C31 C 0.2021(3) 0.5829(3) 0.30908(15) 0.0557(4) Uani 1 1 d . . .
C32 C 0.2877(3) 0.6349(3) 0.31862(15) 0.0557(4) Uani 1 1 d . . .
C33 C 0.3343(3) 0.6542(3) 0.36612(14) 0.0557(4) Uani 1 1 d . . .
H33 H 0.391846 0.687525 0.372483 0.067 Uiso 1 1 calc R . .
C34 C 0.2953(3) 0.6238(3) 0.40478(15) 0.0557(4) Uani 1 1 d . . .
H34 H 0.325370 0.638593 0.437142 0.067 Uiso 1 1 calc R . .
C35 C 0.2126(3) 0.5722(3) 0.39509(15) 0.0557(4) Uani 1 1 d . . .
H35 H 0.187476 0.550573 0.421134 0.067 Uiso 1 1 calc R . .
C36 C 0.1660(3) 0.5517(3) 0.34790(15) 0.0557(4) Uani 1 1 d . . .
H36 H 0.109655 0.516382 0.342019 0.067 Uiso 1 1 calc R . .
C123 C -0.00391(18) 0.28370(18) 0.47783(10) 0.0234(5) Uani 1 1 d . . .
C122 C 0.06232(17) 0.20413(19) 0.47527(9) 0.0236(5) Uani 1 1 d . . .
C120 C 0.12750(19) 0.04635(19) 0.46844(10) 0.0260(6) Uani 1 1 d . . .
C119 C 0.1181(2) -0.05454(19) 0.46236(10) 0.0285(6) Uani 1 1 d . . .
H119 H 0.057480 -0.081912 0.455418 0.034 Uiso 1 1 calc R . .
C118 C 0.1963(2) -0.1125(2) 0.46650(11) 0.0345(7) Uani 1 1 d . . .
H118 H 0.188406 -0.178650 0.463015 0.041 Uiso 1 1 calc R . .
C117 C 0.2883(2) -0.0728(2) 0.47596(11) 0.0370(7) Uani 1 1 d . . .
H117 H 0.340962 -0.112811 0.478385 0.044 Uiso 1 1 calc R . .
C116 C 0.3009(2) 0.0236(2) 0.48161(11) 0.0325(7) Uani 1 1 d . . .
H116 H 0.362285 0.048877 0.487384 0.039 Uiso 1 1 calc R . .
C115 C 0.22247(19) 0.08663(19) 0.47888(10) 0.0262(6) Uani 1 1 d . . .
C113 C 0.15634(18) 0.24263(18) 0.48623(10) 0.0240(6) Uani 1 1 d . . .
C112 C 0.14936(18) 0.34542(18) 0.49590(10) 0.0240(6) Uani 1 1 d . . .
C111 C 0.21771(17) 0.49947(19) 0.51773(10) 0.0250(5) Uani 1 1 d . . .
C110 C 0.29781(18) 0.56152(18) 0.53303(9) 0.0237(6) Uani 1 1 d . . .
C108 C 0.45904(18) 0.62155(19) 0.55729(10) 0.0268(6) Uani 1 1 d . . .
C107 C 0.56020(18) 0.6090(2) 0.56814(11) 0.0310(6) Uani 1 1 d . . .
H107 H 0.584978 0.548464 0.564348 0.037 Uiso 1 1 calc R . .
C106 C 0.6212(2) 0.6827(2) 0.58378(11) 0.0357(7) Uani 1 1 d . . .
H106 H 0.686764 0.672170 0.590707 0.043 Uiso 1 1 calc R . .
C105 C 0.5849(2) 0.7766(2) 0.58964(12) 0.0395(7) Uani 1 1 d . . .
H105 H 0.627028 0.827188 0.599938 0.047 Uiso 1 1 calc R . .
C104 C 0.4892(2) 0.7925(2) 0.58026(11) 0.0339(7) Uani 1 1 d . . .
H104 H 0.466872 0.853958 0.584468 0.041 Uiso 1 1 calc R . .
C103 C 0.42227(19) 0.71682(18) 0.56407(10) 0.0258(6) Uani 1 1 d . . .
C3AA C 0.26140(18) 0.65584(18) 0.53955(9) 0.0232(5) Uani 1 1 d . . .
C101 C 0.15948(18) 0.64904(18) 0.52794(9) 0.0240(6) Uani 1 1 d . . .
C124 C -0.02197(19) 0.52382(19) 0.41766(12) 0.0292(6) Uani 1 1 d . . .
C201 C 0.3275(2) 0.4423(2) 0.20270(12) 0.0383(7) Uani 1 1 d . . .
H20A H 0.334200 0.469482 0.235391 0.046 Uiso 1 1 calc R . .
H20B H 0.271442 0.401390 0.196299 0.046 Uiso 1 1 calc R . .
C202 C 0.3117(2) 0.5234(2) 0.16539(12) 0.0365(7) Uani 1 1 d . . .
H20C H 0.306244 0.497565 0.132506 0.044 Uiso 1 1 calc R . .
H20D H 0.252865 0.556864 0.166147 0.044 Uiso 1 1 calc R . .
C203 C 0.3702(2) 0.6753(2) 0.14919(11) 0.0331(7) Uani 1 1 d . . .
H20E H 0.311448 0.703480 0.154193 0.040 Uiso 1 1 calc R . .
H20F H 0.362177 0.661485 0.114337 0.040 Uiso 1 1 calc R . .
C204 C 0.4508(2) 0.7443(2) 0.16541(12) 0.0365(7) Uani 1 1 d . . .
H20G H 0.437332 0.803928 0.147057 0.044 Uiso 1 1 calc R . .
H20H H 0.458676 0.758670 0.200191 0.044 Uiso 1 1 calc R . .
C205 C 0.6115(2) 0.77039(19) 0.16409(11) 0.0336(7) Uani 1 1 d . . .
H20I H 0.625968 0.792700 0.197979 0.040 Uiso 1 1 calc R . .
H20J H 0.592563 0.825425 0.142714 0.040 Uiso 1 1 calc R . .
C206 C 0.6985(2) 0.7241(2) 0.15257(10) 0.0318(6) Uani 1 1 d . . .
H20K H 0.682769 0.702568 0.118549 0.038 Uiso 1 1 calc R . .
H20L H 0.748279 0.772216 0.155597 0.038 Uiso 1 1 calc R . .
C207 C 0.4353(2) 0.3249(2) 0.24769(12) 0.0434(8) Uani 1 1 d . . .
H20M H 0.475639 0.271657 0.242754 0.052 Uiso 1 1 calc R . .
H20N H 0.376804 0.298281 0.253959 0.052 Uiso 1 1 calc R . .
C208 C 0.4855(2) 0.3813(3) 0.29229(12) 0.0463(8) Uani 1 1 d . . .
H20O H 0.446678 0.435871 0.297251 0.056 Uiso 1 1 calc R . .
H20P H 0.495381 0.340957 0.321433 0.056 Uiso 1 1 calc R . .
C209 C 0.6276(2) 0.4630(2) 0.32684(11) 0.0408(8) Uani 1 1 d . . .
H20Q H 0.636985 0.421065 0.355386 0.049 Uiso 1 1 calc R . .
H20R H 0.592173 0.519001 0.333341 0.049 Uiso 1 1 calc R . .
C210 C 0.7218(2) 0.4933(2) 0.31838(11) 0.0421(8) Uani 1 1 d . . .
H21A H 0.760629 0.519813 0.348561 0.051 Uiso 1 1 calc R . .
H21B H 0.754924 0.438047 0.309053 0.051 Uiso 1 1 calc R . .
C211 C 0.7986(2) 0.5951(2) 0.27209(11) 0.0411(8) Uani 1 1 d . . .
H21C H 0.831011 0.541457 0.260697 0.049 Uiso 1 1 calc R . .
H21D H 0.838457 0.618386 0.302757 0.049 Uiso 1 1 calc R . .
C212 C 0.7830(2) 0.6741(2) 0.23415(11) 0.0389(7) Uani 1 1 d . . .
H21E H 0.744229 0.723965 0.244244 0.047 Uiso 1 1 calc R . .
H21F H 0.844207 0.702320 0.233144 0.047 Uiso 1 1 calc R . .
C213 C 0.3920(2) 0.3197(2) 0.15883(11) 0.0400(8) Uani 1 1 d . . .
H21G H 0.359861 0.357012 0.130471 0.048 Uiso 1 1 calc R . .
H21H H 0.348479 0.269545 0.164039 0.048 Uiso 1 1 calc R . .
C214 C 0.4787(2) 0.2733(2) 0.14708(13) 0.0435(8) Uani 1 1 d . . .
H21I H 0.512226 0.236396 0.175256 0.052 Uiso 1 1 calc R . .
H21J H 0.459256 0.229756 0.119431 0.052 Uiso 1 1 calc R . .
C215 C 0.6212(2) 0.3056(2) 0.12146(12) 0.0404(8) Uani 1 1 d . . .
H21K H 0.601231 0.255537 0.097073 0.049 Uiso 1 1 calc R . .
H21L H 0.663512 0.277193 0.150039 0.049 Uiso 1 1 calc R . .
C216 C 0.6724(2) 0.3823(2) 0.10070(11) 0.0359(7) Uani 1 1 d . . .
H21M H 0.724765 0.354432 0.088731 0.043 Uiso 1 1 calc R . .
H21N H 0.629219 0.413062 0.073187 0.043 Uiso 1 1 calc R . .
C217 C 0.7597(2) 0.5254(2) 0.12004(11) 0.0346(7) Uani 1 1 d . . .
H21O H 0.716765 0.562668 0.095011 0.042 Uiso 1 1 calc R . .
H21P H 0.808468 0.497431 0.105309 0.042 Uiso 1 1 calc R . .
C218 C 0.8054(2) 0.5897(2) 0.16249(11) 0.0367(7) Uani 1 1 d . . .
H21Q H 0.845875 0.550846 0.187797 0.044 Uiso 1 1 calc R . .
H21R H 0.845895 0.636040 0.150995 0.044 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
0 0 -1 0.0328
0 0 1 0.0328
1 0 -1 0.0605
-1 0 1 0.0465
0 1 0 0.1437
0 -1 0 0.1437
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
N102 Sn11 N102 180.0 3_566 .
N102 Sn11 N104 90.35(8) . .
N102 Sn11 N104 89.65(8) 3_566 .
N102 Sn11 N104 89.65(8) . 3_566
N102 Sn11 N104 90.35(8) 3_566 3_566
N102 Sn11 C124 88.97(9) 3_566 3_566
N102 Sn11 C124 91.03(9) 3_566 .
N102 Sn11 C124 88.97(9) . .
N102 Sn11 C124 91.03(9) . 3_566
N104 Sn11 N104 180.00(11) 3_566 .
N104 Sn11 C124 87.10(9) . 3_566
N104 Sn11 C124 92.90(9) . .
N104 Sn11 C124 87.10(9) 3_566 .
N104 Sn11 C124 92.90(9) 3_566 3_566
C124 Sn11 C124 180.0 3_566 .
O201 K21 O202 59.32(6) . .
O201 K21 O203 98.28(6) . .
O201 K21 O204 119.02(6) . .
O201 K21 O205 101.06(6) . .
O201 K21 O206 139.14(6) . .
O201 K21 N201 61.24(6) . .
O201 K21 N202 118.96(6) . .
O202 K21 O203 136.00(6) . .
O202 K21 O206 100.29(6) . .
O202 K21 N201 120.10(6) . .
O202 K21 N202 60.10(6) . .
O203 K21 N201 59.54(6) . .
O203 K21 N202 120.35(6) . .
O204 K21 O202 96.02(6) . .
O204 K21 O203 60.10(6) . .
O204 K21 O206 96.62(6) . .
O204 K21 N201 118.62(6) . .
O204 K21 N202 61.31(6) . .
O205 K21 O202 124.80(6) . .
O205 K21 O203 94.78(6) . .
O205 K21 O204 134.11(6) . .
O205 K21 O206 59.53(6) . .
O205 K21 N201 61.22(7) . .
O205 K21 N202 118.66(6) . .
O206 K21 O203 117.65(6) . .
O206 K21 N201 120.08(6) . .
O206 K21 N202 59.78(6) . .
N201 K21 N202 179.79(7) . .
C202 O201 K21 117.77(16) . .
C202 O201 C203 111.4(2) . .
C203 O201 K21 118.51(16) . .
C204 O202 K21 115.08(16) . .
C204 O202 C205 111.3(2) . .
C205 O202 K21 119.47(15) . .
C208 O203 K21 117.02(16) . .
C209 O203 K21 113.31(16) . .
C209 O203 C208 111.3(2) . .
C210 O204 K21 114.17(16) . .
C211 O204 K21 114.51(16) . .
C211 O204 C210 110.6(2) . .
C214 O205 K21 118.58(17) . .
C215 O205 K21 115.92(16) . .
C215 O205 C214 112.5(2) . .
C216 O206 K21 114.35(17) . .
C217 O206 K21 116.49(16) . .
C217 O206 C216 111.4(2) . .
C123 N101 C101 125.2(2) . 3_566
C123 N102 Sn11 124.35(16) . .
C123 N102 C112 112.1(2) . .
C112 N102 Sn11 123.49(16) . .
C112 N103 C111 125.4(2) . .
C111 N104 Sn11 123.09(17) . .
C101 N104 Sn11 124.28(17) . .
C101 N104 C111 112.1(2) . .
C122 C121 C120 119.4(2) . .
C113 C114 C115 119.4(2) . .
C108 C109 C110 120.2(2) . .
C3AA C102 C103 119.7(2) . .
C201 N201 K21 108.61(16) . .
C201 N201 C207 109.2(2) . .
C207 N201 K21 111.62(17) . .
C213 N201 K21 107.50(17) . .
C213 N201 C201 109.7(2) . .
C213 N201 C207 110.2(2) . .
C206 N202 K21 109.08(16) . .
C212 N202 K21 107.82(17) . .
C212 N202 C206 110.8(2) . .
C212 N202 C218 109.5(2) . .
C218 N202 K21 110.65(16) . .
C218 N202 C206 108.9(2) . .
C32 C31 Cl31 120.9(3) . .
C36 C31 Cl31 119.9(3) . .
C36 C31 C32 119.2(4) . .
C31 C32 Cl32 120.8(3) . .
C33 C32 Cl32 119.0(3) . .
C33 C32 C31 120.2(4) . .
C32 C33 C34 119.6(4) . .
C35 C34 C33 119.6(4) . .
C34 C35 C36 121.2(4) . .
C35 C36 C31 120.2(4) . .
N101 C123 N102 128.6(2) . .
N101 C123 C122 125.3(2) . .
N102 C123 C122 106.2(2) . .
C121 C122 C123 132.1(2) . .
C121 C122 C113 120.4(2) . .
C113 C122 C123 107.5(2) . .
C121 C120 C115 119.6(2) . .
C119 C120 C121 122.4(2) . .
C119 C120 C115 118.0(2) . .
C118 C119 C120 121.3(3) . .
C119 C118 C117 120.5(3) . .
C116 C117 C118 120.4(3) . .
C117 C116 C115 121.4(3) . .
C114 C115 C120 119.4(2) . .
C114 C115 C116 122.2(2) . .
C116 C115 C120 118.4(2) . .
C114 C113 C122 121.7(2) . .
C114 C113 C112 130.4(2) . .
C122 C113 C112 107.8(2) . .
N102 C112 C113 106.4(2) . .
N103 C112 N102 129.2(2) . .
N103 C112 C113 124.4(2) . .
N103 C111 N104 128.2(2) . .
N103 C111 C110 125.2(2) . .
N104 C111 C110 106.5(2) . .
C109 C110 C111 132.8(2) . .
C109 C110 C3AA 119.9(2) . .
C111 C110 C3AA 107.3(2) . .
C109 C108 C107 122.3(3) . .
C109 C108 C103 119.9(2) . .
C107 C108 C103 117.8(2) . .
C106 C107 C108 122.0(3) . .
C107 C106 C105 120.1(3) . .
C104 C105 C106 120.4(3) . .
C105 C104 C103 121.4(3) . .
C102 C103 C108 119.9(2) . .
C102 C103 C104 121.9(2) . .
C104 C103 C108 118.2(2) . .
C102 C3AA C110 120.4(2) . .
C102 C3AA C101 132.5(2) . .
C101 C3AA C110 107.1(2) . .
N101 C101 C3AA 125.3(2) 3_566 .
N104 C101 N101 127.8(2) . 3_566
N104 C101 C3AA 106.9(2) . .
N124 C124 Sn11 172.6(3) . .
N201 C201 C202 114.2(2) . .
O201 C202 C201 109.3(2) . .
O201 C203 C204 109.6(2) . .
O202 C204 C203 108.8(2) . .
O202 C205 C206 109.4(2) . .
N202 C206 C205 114.5(2) . .
N201 C207 C208 113.4(3) . .
O203 C208 C207 108.9(3) . .
O203 C209 C210 110.0(3) . .
O204 C210 C209 109.9(3) . .
O204 C211 C212 109.5(2) . .
N202 C212 C211 113.7(2) . .
N201 C213 C214 114.8(3) . .
O205 C214 C213 109.9(2) . .
O205 C215 C216 109.6(2) . .
O206 C216 C215 109.4(2) . .
O206 C217 C218 108.8(2) . .
N202 C218 C217 113.6(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn11 N102 2.060(2) 3_566
Sn11 N102 2.060(2) .
Sn11 N104 2.072(2) .
Sn11 N104 2.072(2) 3_566
Sn11 C124 2.266(3) .
Sn11 C124 2.266(3) 3_566
K21 O201 2.781(2) .
K21 O202 2.8416(19) .
K21 O203 2.885(2) .
K21 O204 2.834(2) .
K21 O205 2.807(2) .
K21 O206 2.866(2) .
K21 N201 2.990(2) .
K21 N202 3.011(2) .
Cl31 C31 1.743(4) .
Cl32 C32 1.717(4) .
O201 C202 1.423(3) .
O201 C203 1.427(3) .
O202 C204 1.421(3) .
O202 C205 1.422(3) .
O203 C208 1.421(4) .
O203 C209 1.420(3) .
O204 C210 1.430(3) .
O204 C211 1.430(4) .
O205 C214 1.426(3) .
O205 C215 1.414(4) .
O206 C216 1.424(3) .
O206 C217 1.421(4) .
N101 C123 1.315(3) .
N101 C101 1.384(3) 3_566
N102 C123 1.392(3) .
N102 C112 1.394(3) .
N103 C112 1.309(3) .
N103 C111 1.367(3) .
N104 C111 1.385(3) .
N104 C101 1.368(3) .
C121 C122 1.373(4) .
C121 C120 1.419(4) .
C114 C115 1.408(4) .
C114 C113 1.367(3) .
C109 C110 1.397(4) .
C109 C108 1.385(4) .
C102 C103 1.397(4) .
C102 C3AA 1.394(3) .
N124 C124 1.133(4) .
N201 C201 1.470(4) .
N201 C207 1.473(4) .
N201 C213 1.468(4) .
N202 C206 1.476(3) .
N202 C212 1.467(3) .
N202 C218 1.470(4) .
C31 C32 1.399(5) .
C31 C36 1.371(5) .
C32 C33 1.367(5) .
C33 C34 1.388(5) .
C34 C35 1.362(5) .
C35 C36 1.363(5) .
C123 C122 1.472(3) .
C122 C113 1.422(4) .
C120 C119 1.416(4) .
C120 C115 1.444(4) .
C119 C118 1.367(4) .
C118 C117 1.402(4) .
C117 C116 1.358(4) .
C116 C115 1.416(4) .
C113 C112 1.462(4) .
C111 C110 1.425(4) .
C110 C3AA 1.439(4) .
C108 C107 1.428(4) .
C108 C103 1.455(4) .
C107 C106 1.355(4) .
C106 C105 1.430(4) .
C105 C104 1.359(4) .
C104 C103 1.429(4) .
C3AA C101 1.431(4) .
C201 C202 1.515(4) .
C203 C204 1.495(4) .
C205 C206 1.504(4) .
C207 C208 1.507(5) .
C209 C210 1.488(5) .
C211 C212 1.506(4) .
C213 C214 1.503(4) .
C215 C216 1.485(4) .
C217 C218 1.508(4) .
