# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1811035'
loop_
_audit_author_name
_audit_author_address
'Liu Chao' CIAC
_audit_update_record             
;
2017-12-13 deposited with the CCDC.	2019-03-11 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT342_1                   
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.02469  Ang.  
RESPONSE: This alert is generated because disorder exist in the structure.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C103 H202 K5 N12 O32 Rh3 Sn24'
_chemical_formula_weight         5473.54

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.3305(8)
_cell_length_b                   19.4097(10)
_cell_length_c                   28.6354(15)
_cell_angle_alpha                94.7860(10)
_cell_angle_beta                 98.7530(10)
_cell_angle_gamma                112.5900(10)
_cell_volume                     8181.8(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    5625
_cell_measurement_theta_min      1.82
_cell_measurement_theta_max      26.09

_exptl_crystal_description       plate
_exptl_crystal_colour            dark
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.222
_exptl_crystal_F_000             5180
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    4.069
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.450
_exptl_absorpt_correction_T_max  0.714
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            51511
_diffrn_reflns_av_unetI/netI     0.0950
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         1.395
_diffrn_reflns_theta_max         26.106
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             32172
_reflns_number_gt                20171
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0572P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         32172
_refine_ls_number_parameters     1617
_refine_ls_number_restraints     85
_refine_ls_R_factor_all          0.1018
_refine_ls_R_factor_gt           0.0515
_refine_ls_wR_factor_ref         0.1352
_refine_ls_wR_factor_gt          0.1114
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

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
Sn1 Sn 0.11262(5) 0.31220(4) 0.33679(3) 0.02457(16) Uani 1 1 d . . . . .
Sn2 Sn -0.04097(5) 0.29640(4) 0.25543(3) 0.02916(18) Uani 1 1 d . . . . .
Sn3 Sn -0.06439(5) 0.16748(4) 0.31421(3) 0.02606(17) Uani 1 1 d . . . . .
Sn4 Sn 0.19338(5) 0.22351(4) 0.27133(3) 0.02446(16) Uani 1 1 d . . . . .
Sn5 Sn 0.03453(5) 0.21168(4) 0.18733(3) 0.02567(17) Uani 1 1 d . . . . .
Sn6 Sn 0.01871(5) 0.08306(4) 0.24790(3) 0.02638(17) Uani 1 1 d . . . . .
Sn7 Sn 0.16511(5) 0.10377(5) 0.41664(3) 0.0359(2) Uani 1 1 d . . . . .
Sn8 Sn -0.03362(5) 0.04128(5) 0.36537(3) 0.0440(2) Uani 1 1 d . . . . .
Sn9 Sn 0.06591(6) 0.20545(6) 0.42155(3) 0.0444(2) Uani 1 1 d . . . . .
Sn10 Sn 0.25547(5) 0.26818(4) 0.39885(3) 0.03080(18) Uani 1 1 d . . . . .
Sn11 Sn 0.27483(5) 0.14525(4) 0.33891(3) 0.02930(18) Uani 1 1 d . . . . .
Sn12 Sn 0.09991(6) 0.00880(4) 0.31765(3) 0.0401(2) Uani 1 1 d . . . . .
Sn13 Sn 0.26731(5) 0.47113(4) 0.21873(3) 0.02800(17) Uani 1 1 d . . . . .
Sn14 Sn 0.30210(5) 0.41877(4) 0.31492(3) 0.02616(17) Uani 1 1 d . . . . .
Sn15 Sn 0.14407(5) 0.46406(4) 0.28862(3) 0.02908(18) Uani 1 1 d . . . . .
Sn16 Sn 0.06003(5) 0.39953(4) 0.18423(3) 0.03228(19) Uani 1 1 d . . . . .
Sn17 Sn 0.17415(5) 0.32803(4) 0.14566(3) 0.03178(19) Uani 1 1 d . . . . .
Sn18 Sn 0.32121(5) 0.33823(4) 0.22556(3) 0.02878(18) Uani 1 1 d . . . . .
Sn19 Sn -0.28645(5) 0.03712(5) 0.16249(3) 0.0368(2) Uani 1 1 d . . . . .
Sn20 Sn -0.19204(6) 0.20863(5) 0.16503(3) 0.0383(2) Uani 1 1 d . . . . .
Sn21 Sn -0.25220(5) 0.14306(5) 0.25379(3) 0.0393(2) Uani 1 1 d . . . . .
Sn22 Sn -0.20796(5) 0.00487(5) 0.25872(3) 0.0381(2) Uani 1 1 d . . . . .
Sn23 Sn -0.13622(5) -0.01942(4) 0.17160(3) 0.03429(19) Uani 1 1 d . . . . .
Sn24 Sn -0.12577(5) 0.10429(4) 0.11408(3) 0.03375(19) Uani 1 1 d . . . . .
Rh1 Rh 0.10319(5) 0.15909(4) 0.33779(3) 0.02159(18) Uani 1 1 d . . . . .
Rh2 Rh 0.15023(5) 0.33744(4) 0.24467(3) 0.01877(17) Uani 1 1 d . . . . .
Rh3 Rh -0.11456(5) 0.12790(4) 0.21631(3) 0.02379(18) Uani 1 1 d . . . . .
K1 K 0.77491(17) 0.62272(15) 0.24838(10) 0.0412(6) Uani 1 1 d . . . . .
K2 K 0.54127(15) 0.14638(12) 0.59595(8) 0.0279(5) Uani 1 1 d . . . . .
K3 K 0.75154(15) 0.42629(13) 0.43862(8) 0.0293(5) Uani 1 1 d . . . . .
K4 K 0.65496(17) 0.82086(14) 0.91114(9) 0.0349(6) Uani 1 1 d . . . . .
K5 K 0.7539(2) 0.25892(15) 0.93462(11) 0.0470(7) Uani 1 1 d . . . . .
O2 O 0.6449(5) 0.2799(4) 0.3849(3) 0.0326(18) Uani 1 1 d . . . . .
O3 O 0.5745(5) 0.3914(4) 0.3877(3) 0.0328(18) Uani 1 1 d . . . . .
O4 O 0.4433(6) 0.0207(5) 0.6377(3) 0.052(2) Uani 1 1 d . . . . .
O5 O 0.8962(5) 0.4731(4) 0.3883(3) 0.039(2) Uani 1 1 d . . . . .
O6 O 0.3595(5) 0.1118(4) 0.5966(3) 0.041(2) Uani 1 1 d . . . . .
O7 O 0.5465(6) 0.8995(5) 0.9260(3) 0.045(2) Uani 1 1 d . . . . .
O8 O 0.7163(5) 0.4522(4) 0.5313(2) 0.0349(19) Uani 1 1 d . . . . .
O9 O 0.6700(6) 0.2308(4) 0.6816(3) 0.048(2) Uani 1 1 d . . . . .
O10 O 0.6262(5) 0.5690(5) 0.2916(3) 0.050(2) Uani 1 1 d . . . . .
O11 O 0.8325(6) 0.5788(4) 0.4238(3) 0.044(2) Uani 1 1 d . . . . .
O12 O 0.7012(6) 0.4712(4) 0.2563(3) 0.046(2) Uani 1 1 d . . . . .
O13 O 0.5319(6) 0.1299(5) 0.4944(3) 0.051(2) Uani 1 1 d . . . . .
O14 O 0.8328(5) 0.3780(5) 0.5161(3) 0.042(2) Uani 1 1 d . . . . .
O15 O 0.7396(7) 0.3339(6) 0.8550(4) 0.063(3) Uani 1 1 d . . . . .
O16 O 0.8356(6) 0.9207(5) 0.9124(3) 0.054(3) Uani 1 1 d . . . . .
O17 O 0.6976(6) 0.8786(5) 0.8307(3) 0.048(2) Uani 1 1 d . . . . .
O18 O 0.9096(6) 0.3706(5) 0.9128(3) 0.048(2) Uani 1 1 d . . . . .
O19 O 0.6621(7) 0.6957(6) 0.9439(3) 0.063(3) Uani 1 1 d . . . . .
O20 O 0.5024(6) 0.6796(5) 0.8815(4) 0.058(3) Uani 1 1 d . . . . .
O21 O 0.6445(7) 0.0816(6) 0.5526(5) 0.080(4) Uani 1 1 d . . . . .
O22 O 0.6442(6) 0.8771(6) 1.0054(3) 0.060(3) Uani 1 1 d . . . . .
O23 O 0.7107(8) 0.6923(6) 0.1775(4) 0.076(3) Uani 1 1 d . . . . .
O24 O 0.8157(8) 0.6130(7) 0.1568(4) 0.086(4) Uani 1 1 d . . . . .
O25 O 0.9530(6) 0.6706(6) 0.2833(4) 0.077(3) Uani 1 1 d . . . . .
O26 O 0.8716(8) 0.7497(6) 0.3286(4) 0.083(3) Uani 1 1 d . . . . .
O27 O 0.8244(8) 0.1587(6) 0.9641(4) 0.068(3) Uani 1 1 d . . . . .
O28 O 0.5878(8) 0.2337(6) 0.9629(5) 0.084(4) Uani 1 1 d . . . . .
O29 O 0.7550(8) 0.3277(6) 1.0267(4) 0.074(3) Uani 1 1 d . . . . .
O30 O 0.6898(8) 0.1127(6) 0.8803(4) 0.077(3) Uani 1 1 d . . . . .
O32 O 0.8145(15) 0.1285(11) 0.4845(7) 0.188(8) Uani 1 1 d . U . . .
N1 N 0.6884(9) 0.7294(7) 0.2770(5) 0.066(4) Uani 1 1 d . . . . .
N2 N 0.8740(7) 0.5282(7) 0.2243(4) 0.052(3) Uani 1 1 d . . . . .
N3 N 0.9232(8) 0.3183(7) 1.0052(4) 0.059(3) Uani 1 1 d . . . . .
N4 N 0.4445(6) 0.2218(5) 0.5363(3) 0.032(2) Uani 1 1 d . . . . .
N5 N 0.6421(8) 0.0713(6) 0.6544(5) 0.066(4) Uani 1 1 d . . . . .
N6 N 0.6624(6) 0.5333(5) 0.4579(3) 0.037(2) Uani 1 1 d . . . . .
N7 N 0.8390(6) 0.3219(5) 0.4192(4) 0.038(2) Uani 1 1 d . . . . .
N8 N 0.7946(9) 0.8355(8) 0.9931(4) 0.068(4) Uani 1 1 d . . . . .
N9 N 0.5081(7) 0.8057(6) 0.8325(4) 0.051(3) Uani 1 1 d . . . . .
N10 N 0.5816(11) 0.2007(9) 0.8600(7) 0.102(4) Uani 1 1 d . U . . .
N11 N 0.9378(12) 0.1259(11) 0.5363(8) 0.117(7) Uani 1 1 d D . . . .
N12 N 0.0503(9) 0.8276(8) 0.1644(5) 0.067(4) Uani 1 1 d . . . . .
C1 C 0.7798(8) 0.4447(8) 0.5690(4) 0.049(4) Uani 1 1 d . . . . .
H1A H 0.7579 0.4440 0.5986 0.058 Uiso 1 1 calc R U . . .
H1B H 0.8377 0.4874 0.5734 0.058 Uiso 1 1 calc R U . . .
C2 C 0.5687(8) 0.2740(6) 0.3515(4) 0.041(3) Uani 1 1 d . . . . .
H2A H 0.5290 0.2211 0.3411 0.049 Uiso 1 1 calc R U . . .
H2B H 0.5880 0.2956 0.3237 0.049 Uiso 1 1 calc R U . . .
C3 C 0.6359(8) 0.3348(6) 0.6654(4) 0.039(3) Uani 1 1 d . . . . .
H3A H 0.5900 0.3180 0.6847 0.046 Uiso 1 1 calc R U . . .
H3B H 0.6609 0.3895 0.6695 0.046 Uiso 1 1 calc R U . . .
C4 C 0.4844(9) 0.8698(8) 0.8430(5) 0.058(4) Uani 1 1 d . . . . .
H4A H 0.4310 0.8632 0.8198 0.070 Uiso 1 1 calc R U . . .
H4B H 0.5334 0.9154 0.8388 0.070 Uiso 1 1 calc R U . . .
C5 C 0.3590(8) 0.2074(7) 0.5494(5) 0.047(3) Uani 1 1 d . . . . .
H5A H 0.3209 0.2184 0.5243 0.056 Uiso 1 1 calc R U . . .
H5B H 0.3685 0.2416 0.5783 0.056 Uiso 1 1 calc R U . . .
C6 C 0.7048(9) 0.5203(7) 0.5422(4) 0.047(3) Uani 1 1 d . . . . .
H6A H 0.7614 0.5634 0.5441 0.057 Uiso 1 1 calc R U . . .
H6B H 0.6867 0.5221 0.5728 0.057 Uiso 1 1 calc R U . . .
C7 C 0.5381(8) 0.3371(7) 0.5962(4) 0.041(3) Uani 1 1 d . . . . .
H7A H 0.5709 0.3914 0.5992 0.049 Uiso 1 1 calc R U . . .
H7B H 0.4887 0.3275 0.6132 0.049 Uiso 1 1 calc R U . . .
C8 C 0.4571(11) 0.6711(9) 0.8333(6) 0.076(5) Uani 1 1 d . . . . .
H8A H 0.4033 0.6243 0.8255 0.091 Uiso 1 1 calc R U . . .
H8B H 0.4967 0.6700 0.8115 0.091 Uiso 1 1 calc R U . . .
C9 C 0.5829(9) 0.5129(7) 0.4190(5) 0.049(4) Uani 1 1 d . . . . .
H9A H 0.6034 0.5314 0.3907 0.059 Uiso 1 1 calc R U . . .
H9B H 0.5457 0.5383 0.4283 0.059 Uiso 1 1 calc R U . . .
C10 C 0.5774(9) 0.4914(7) 0.2772(5) 0.056(4) Uani 1 1 d . . . . .
H10A H 0.5507 0.4813 0.2434 0.067 Uiso 1 1 calc R U . . .
H10B H 0.5289 0.4731 0.2948 0.067 Uiso 1 1 calc R U . . .
C11 C 0.8540(8) 0.3147(7) 0.5066(4) 0.041(3) Uani 1 1 d . . . . .
H11A H 0.7992 0.2687 0.5001 0.050 Uiso 1 1 calc R U . . .
H11B H 0.8944 0.3118 0.5342 0.050 Uiso 1 1 calc R U . . .
C12 C 0.4295(13) 0.5550(9) 0.1229(7) 0.083(6) Uani 1 1 d . . . . .
H12 H 0.4297 0.5548 0.1554 0.099 Uiso 1 1 calc R U . . .
C13 C 0.7707(8) 0.2453(6) 0.4006(4) 0.042(3) Uani 1 1 d . . . . .
H13A H 0.7483 0.2215 0.4272 0.050 Uiso 1 1 calc R U . . .
H13B H 0.7996 0.2162 0.3860 0.050 Uiso 1 1 calc R U . . .
C14 C 0.3099(7) 0.1279(7) 0.5577(5) 0.048(3) Uani 1 1 d . . . . .
H14A H 0.2508 0.1213 0.5640 0.057 Uiso 1 1 calc R U . . .
H14B H 0.3010 0.0931 0.5292 0.057 Uiso 1 1 calc R U . . .
C15 C 0.4332(9) 0.1910(7) 0.4854(4) 0.051(4) Uani 1 1 d . . . . .
H15A H 0.3838 0.1414 0.4783 0.062 Uiso 1 1 calc R U . . .
H15B H 0.4157 0.2232 0.4656 0.062 Uiso 1 1 calc R U . . .
C16 C 0.6388(10) 0.4510(7) 0.2864(5) 0.054(4) Uani 1 1 d . . . . .
H16A H 0.6704 0.4649 0.3196 0.065 Uiso 1 1 calc R U . . .
H16B H 0.6037 0.3968 0.2802 0.065 Uiso 1 1 calc R U . . .
C17 C 0.6927(8) 0.2419(7) 0.3649(4) 0.041(3) Uani 1 1 d . . . . .
H17A H 0.7143 0.2648 0.3379 0.049 Uiso 1 1 calc R U . . .
H17B H 0.6522 0.1896 0.3533 0.049 Uiso 1 1 calc R U . . .
C18 C 0.4663(8) 0.8808(7) 0.8918(5) 0.051(4) Uani 1 1 d . . . . .
H18A H 0.4451 0.9210 0.8947 0.061 Uiso 1 1 calc R U . . .
H18B H 0.4196 0.8348 0.8973 0.061 Uiso 1 1 calc R U . . .
C19 C 0.3101(9) 0.0380(8) 0.6081(5) 0.057(4) Uani 1 1 d . . . . .
H19A H 0.2970 -0.0003 0.5807 0.068 Uiso 1 1 calc R U . . .
H19B H 0.2531 0.0351 0.6157 0.068 Uiso 1 1 calc R U . . .
C20 C 0.7912(9) 0.3737(9) 0.5565(4) 0.053(4) Uani 1 1 d . . . . .
H20A H 0.8284 0.3656 0.5835 0.064 Uiso 1 1 calc R U . . .
H20B H 0.7326 0.3314 0.5494 0.064 Uiso 1 1 calc R U . . .
C21 C 0.8951(8) 0.3489(7) 0.3822(4) 0.043(3) Uani 1 1 d . . . . .
H21A H 0.9340 0.3219 0.3808 0.052 Uiso 1 1 calc R U . . .
H21B H 0.8550 0.3364 0.3511 0.052 Uiso 1 1 calc R U . . .
C22 C 0.5137(10) 0.1843(8) 0.4715(5) 0.063(4) Uani 1 1 d . . . . .
H22A H 0.5027 0.1700 0.4371 0.075 Uiso 1 1 calc R U . . .
H22B H 0.5653 0.2325 0.4805 0.075 Uiso 1 1 calc R U . . .
C23 C 0.5349(12) 0.9175(9) 0.9723(5) 0.070(5) Uani 1 1 d . . . . .
H23A H 0.4874 0.8743 0.9802 0.084 Uiso 1 1 calc R U . . .
H23B H 0.5159 0.9591 0.9732 0.084 Uiso 1 1 calc R U . . .
C24 C 0.6194(10) 0.6871(9) 0.3052(6) 0.074(5) Uani 1 1 d . . . . .
H24A H 0.6505 0.6914 0.3377 0.089 Uiso 1 1 calc R U . . .
H24B H 0.5778 0.7115 0.3066 0.089 Uiso 1 1 calc R U . . .
C25 C 0.5748(11) 0.0004(8) 0.6630(6) 0.077(5) Uani 1 1 d . U . . .
H25A H 0.5563 -0.0365 0.6343 0.092 Uiso 1 1 calc R U . . .
H25B H 0.6036 -0.0180 0.6883 0.092 Uiso 1 1 calc R U . . .
C26 C 0.8906(10) 0.4184(7) 0.8828(5) 0.056(4) Uani 1 1 d . . . . .
H26A H 0.9457 0.4508 0.8735 0.067 Uiso 1 1 calc R U . . .
H26B H 0.8678 0.4503 0.8998 0.067 Uiso 1 1 calc R U . . .
C27 C 0.7800(9) 0.6213(7) 0.4199(5) 0.054(4) Uani 1 1 d . . . . .
H27A H 0.7401 0.6060 0.3887 0.065 Uiso 1 1 calc R U . . .
H27B H 0.8191 0.6744 0.4229 0.065 Uiso 1 1 calc R U . . .
C28 C 0.6448(10) 0.7434(8) 0.2346(6) 0.067(4) Uani 1 1 d . . . . .
H28A H 0.6292 0.7858 0.2428 0.080 Uiso 1 1 calc R U . . .
H28B H 0.5886 0.6997 0.2222 0.080 Uiso 1 1 calc R U . . .
C29 C 0.8223(10) 0.3727(9) 0.8395(5) 0.068(5) Uani 1 1 d . . . . .
H29A H 0.8142 0.4052 0.8169 0.082 Uiso 1 1 calc R U . . .
H29B H 0.8417 0.3368 0.8241 0.082 Uiso 1 1 calc R U . . .
C30 C 0.3437(13) 0.5271(10) 0.0440(7) 0.071(5) Uani 1 1 d . . . . .
C31 C 0.8921(9) 0.5942(7) 0.3901(5) 0.050(3) Uani 1 1 d . . . . .
H31A H 0.9296 0.6479 0.3944 0.060 Uiso 1 1 calc R U . . .
H31B H 0.8571 0.5787 0.3577 0.060 Uiso 1 1 calc R U . . .
C32 C 0.4219(11) 0.5462(8) 0.0266(8) 0.079(6) Uani 1 1 d . . . . .
H32 H 0.4187 0.5420 -0.0063 0.095 Uiso 1 1 calc R U . . .
C33 C 0.7248(9) 0.6099(8) 0.4582(5) 0.054(4) Uani 1 1 d . . . . .
H33A H 0.7658 0.6277 0.4890 0.065 Uiso 1 1 calc R U . . .
H33B H 0.6906 0.6411 0.4551 0.065 Uiso 1 1 calc R U . . .
C34 C 0.5481(11) 0.8131(9) 0.7876(5) 0.069(5) Uani 1 1 d . . . . .
H34A H 0.5568 0.7673 0.7789 0.083 Uiso 1 1 calc R U . . .
H34B H 0.5041 0.8160 0.7618 0.083 Uiso 1 1 calc R U . . .
C35 C 0.6334(12) 0.8772(9) 0.7906(5) 0.067(5) Uani 1 1 d . . . . .
H35A H 0.6561 0.8734 0.7615 0.081 Uiso 1 1 calc R U . . .
H35B H 0.6241 0.9236 0.7939 0.081 Uiso 1 1 calc R U . . .
C36 C 0.7593(10) 0.4341(7) 0.2621(5) 0.057(4) Uani 1 1 d . . . . .
H36A H 0.7246 0.3804 0.2606 0.068 Uiso 1 1 calc R U . . .
H36B H 0.8001 0.4533 0.2930 0.068 Uiso 1 1 calc R U . . .
C37 C 0.9525(9) 0.4317(8) 0.3911(5) 0.053(4) Uani 1 1 d . . . . .
H37A H 0.9914 0.4455 0.4226 0.064 Uiso 1 1 calc R U . . .
H37B H 0.9906 0.4443 0.3676 0.064 Uiso 1 1 calc R U . . .
C38 C 0.7856(10) 0.9332(7) 0.8336(6) 0.059(4) Uani 1 1 d . . . . .
H38A H 0.7881 0.9826 0.8451 0.071 Uiso 1 1 calc R U . . .
H38B H 0.7998 0.9343 0.8019 0.071 Uiso 1 1 calc R U . . .
C39 C 0.6074(10) 0.1198(8) 0.4796(6) 0.072(5) Uani 1 1 d . . . . .
H39A H 0.6612 0.1666 0.4885 0.087 Uiso 1 1 calc R U . . .
H39B H 0.5947 0.1055 0.4452 0.087 Uiso 1 1 calc R U . . .
C40 C 0.9154(12) 0.1891(11) 0.9900(6) 0.081(6) Uani 1 1 d . . . . .
H40A H 0.9559 0.2038 0.9677 0.098 Uiso 1 1 calc R U . . .
H40B H 0.9265 0.1502 1.0056 0.098 Uiso 1 1 calc R U . . .
C41 C 0.3418(14) 0.5297(9) 0.0888(7) 0.085(5) Uani 1 1 d . . . . .
H41 H 0.2875 0.5163 0.0994 0.102 Uiso 1 1 calc R U . . .
C42 C 0.6337(8) 0.5231(7) 0.5039(4) 0.040(3) Uani 1 1 d . . . . .
H42A H 0.5800 0.4766 0.4996 0.048 Uiso 1 1 calc R U . . .
H42B H 0.6177 0.5644 0.5140 0.048 Uiso 1 1 calc R U . . .
C43 C 0.6222(12) 0.0602(9) 0.5034(7) 0.085(6) Uani 1 1 d . . . . .
H43A H 0.5677 0.0140 0.4950 0.102 Uiso 1 1 calc R U . . .
H43B H 0.6706 0.0505 0.4925 0.102 Uiso 1 1 calc R U . . .
C44 C 0.7214(12) 0.8951(11) 1.0415(5) 0.084(5) Uani 1 1 d . U . . .
H44A H 0.7051 0.8985 1.0725 0.101 Uiso 1 1 calc R U . . .
H44B H 0.7667 0.9440 1.0390 0.101 Uiso 1 1 calc R U . . .
C45 C 0.8983(8) 0.3229(7) 0.4643(5) 0.047(3) Uani 1 1 d . . . . .
H45A H 0.9516 0.3701 0.4710 0.056 Uiso 1 1 calc R U . . .
H45B H 0.9182 0.2823 0.4598 0.056 Uiso 1 1 calc R U . . .
C46 C 0.9489(8) 0.5519(7) 0.3986(5) 0.049(3) Uani 1 1 d . . . . .
H46A H 0.9939 0.5655 0.3787 0.059 Uiso 1 1 calc R U . . .
H46B H 0.9804 0.5653 0.4318 0.059 Uiso 1 1 calc R U . . .
C47 C 0.5685(9) 0.6094(8) 0.2869(5) 0.059(4) Uani 1 1 d . . . . .
H47A H 0.5413 0.6037 0.2535 0.071 Uiso 1 1 calc R U . . .
H47B H 0.5202 0.5886 0.3043 0.071 Uiso 1 1 calc R U . . .
C50 C 0.8021(11) 0.0915(8) 0.9330(6) 0.068(5) Uani 1 1 d . . . . .
H50A H 0.8135 0.0547 0.9509 0.082 Uiso 1 1 calc R U . . .
H50B H 0.8397 0.1012 0.9091 0.082 Uiso 1 1 calc R U . . .
C51 C 0.8123(12) 0.4476(10) 0.2229(6) 0.082(6) Uani 1 1 d . . . . .
H51A H 0.7702 0.4300 0.1923 0.098 Uiso 1 1 calc R U . . .
H51B H 0.8480 0.4175 0.2248 0.098 Uiso 1 1 calc R U . . .
C52 C 0.7382(10) 0.2032(8) 0.6969(6) 0.080(5) Uani 1 1 d . . . . .
H52A H 0.7750 0.2314 0.7276 0.096 Uiso 1 1 calc R U . . .
H52B H 0.7773 0.2089 0.6739 0.096 Uiso 1 1 calc R U . . .
C53 C 0.7062(12) 0.0604(10) 0.6289(7) 0.086(5) Uani 1 1 d . U . . .
H53A H 0.7279 0.0258 0.6438 0.103 Uiso 1 1 calc R U . . .
H53B H 0.7576 0.1084 0.6324 0.103 Uiso 1 1 calc R U . . .
C54 C 0.5070(14) 0.5722(9) 0.0575(7) 0.084(6) Uani 1 1 d . . . . .
H54 H 0.5600 0.5849 0.0457 0.101 Uiso 1 1 calc R U . . .
C55 C 1.0061(9) 0.6300(10) 0.2739(7) 0.086(6) Uani 1 1 d . . . . .
H55A H 1.0541 0.6407 0.3015 0.103 Uiso 1 1 calc R U . . .
H55B H 1.0339 0.6466 0.2470 0.103 Uiso 1 1 calc R U . . .
C56 C 0.4970(13) 0.0041(9) 0.6758(6) 0.084(6) Uani 1 1 d . . . . .
H56A H 0.5146 0.0427 0.7035 0.100 Uiso 1 1 calc R U . . .
H56B H 0.4609 -0.0439 0.6846 0.100 Uiso 1 1 calc R U . . .
C57 C 0.9368(11) 0.2554(10) 1.0266(6) 0.082(5) Uani 1 1 d . . . . .
H57A H 0.9992 0.2728 1.0433 0.099 Uiso 1 1 calc R U . . .
H57B H 0.8984 0.2404 1.0499 0.099 Uiso 1 1 calc R U . . .
C58 C 0.7246(14) 0.6935(9) 0.9809(6) 0.081(5) Uani 1 1 d . . . . .
H58A H 0.7377 0.6495 0.9739 0.097 Uiso 1 1 calc R U . . .
H58B H 0.7010 0.6903 1.0101 0.097 Uiso 1 1 calc R U . . .
C59 C 0.8254(13) 0.7917(8) 0.3442(7) 0.094(6) Uani 1 1 d . . . . .
H59A H 0.8690 0.8410 0.3605 0.113 Uiso 1 1 calc R U . . .
H59B H 0.7908 0.7665 0.3671 0.113 Uiso 1 1 calc R U . . .
C60 C 0.9324(12) 0.7822(8) 0.3047(6) 0.076(5) Uani 1 1 d . . . . .
H60A H 0.9644 0.8350 0.3189 0.091 Uiso 1 1 calc R U . . .
H60B H 0.9030 0.7802 0.2723 0.091 Uiso 1 1 calc R U . . .
C61 C 0.6692(14) 0.2986(12) 0.8147(7) 0.112(7) Uani 1 1 d . . . . .
H61A H 0.6812 0.2611 0.7957 0.135 Uiso 1 1 calc R U . . .
H61B H 0.6645 0.3356 0.7950 0.135 Uiso 1 1 calc R U . . .
C62 C 0.7634(12) 0.8015(8) 0.3043(7) 0.084(6) Uani 1 1 d . . . . .
H62A H 0.7989 0.8277 0.2820 0.101 Uiso 1 1 calc R U . . .
H62B H 0.7364 0.8337 0.3171 0.101 Uiso 1 1 calc R U . . .
C63 C 0.6906(12) 0.1211(9) 0.7009(7) 0.097(6) Uani 1 1 d . . . . .
H63A H 0.7348 0.1037 0.7161 0.116 Uiso 1 1 calc R U . . .
H63B H 0.6473 0.1163 0.7215 0.116 Uiso 1 1 calc R U . . .
C64 C 1.0020(10) 0.7463(9) 0.3031(7) 0.086(6) Uani 1 1 d . . . . .
H64A H 1.0447 0.7715 0.2836 0.104 Uiso 1 1 calc R U . . .
H64B H 1.0352 0.7506 0.3351 0.104 Uiso 1 1 calc R U . . .
C65 C 0.6983(13) 0.7605(9) 0.1951(7) 0.093(6) Uani 1 1 d . . . . .
H65A H 0.6662 0.7753 0.1692 0.112 Uiso 1 1 calc R U . . .
H65B H 0.7568 0.8018 0.2073 0.112 Uiso 1 1 calc R U . . .
C66 C 0.9513(10) 0.5489(10) 0.2633(6) 0.074(5) Uani 1 1 d . . . . .
H66A H 0.9890 0.5232 0.2552 0.088 Uiso 1 1 calc R U . . .
H66B H 0.9299 0.5317 0.2918 0.088 Uiso 1 1 calc R U . . .
C67 C 0.8060(12) 0.7613(10) 0.9868(5) 0.079(6) Uani 1 1 d . . . . .
H67A H 0.8330 0.7595 0.9590 0.095 Uiso 1 1 calc R U . . .
H67B H 0.8484 0.7612 1.0144 0.095 Uiso 1 1 calc R U . . .
C68 C 0.7586(12) 0.8402(10) 1.0380(5) 0.080(4) Uani 1 1 d . U . . .
H68A H 0.7124 0.7912 1.0393 0.096 Uiso 1 1 calc R U . . .
H68B H 0.8074 0.8521 1.0654 0.096 Uiso 1 1 calc R U . . .
C69 C 0.8521(9) 0.9181(8) 0.8651(6) 0.067(5) Uani 1 1 d . . . . .
H69A H 0.8496 0.8685 0.8539 0.081 Uiso 1 1 calc R U . . .
H69B H 0.9122 0.9552 0.8649 0.081 Uiso 1 1 calc R U . . .
C70 C 0.7598(17) 0.6298(14) 0.1200(7) 0.124(9) Uani 1 1 d . . . . .
H70A H 0.6998 0.5893 0.1116 0.149 Uiso 1 1 calc R U . . .
H70B H 0.7859 0.6359 0.0916 0.149 Uiso 1 1 calc R U . . .
C71 C 0.5086(14) 0.5782(10) 0.1080(7) 0.093(6) Uani 1 1 d . U . . .
H71 H 0.5632 0.5977 0.1300 0.112 Uiso 1 1 calc R U . . .
C72 C 0.4321(10) 0.7354(8) 0.8289(7) 0.079(5) Uani 1 1 d . . . . .
H72A H 0.3917 0.7259 0.7983 0.094 Uiso 1 1 calc R U . . .
H72B H 0.3993 0.7394 0.8538 0.094 Uiso 1 1 calc R U . . .
C73 C 0.6708(12) 0.0301(10) 0.5764(8) 0.098(7) Uani 1 1 d . . . . .
H73A H 0.7175 0.0218 0.5625 0.118 Uiso 1 1 calc R U . . .
H73B H 0.6193 -0.0180 0.5723 0.118 Uiso 1 1 calc R U . . .
C74 C 0.7033(12) 0.0603(9) 0.9086(6) 0.078(5) Uani 1 1 d . . . . .
H74A H 0.6870 0.0122 0.8887 0.094 Uiso 1 1 calc R U . . .
H74B H 0.6655 0.0522 0.9324 0.094 Uiso 1 1 calc R U . . .
C75 C 0.8785(10) 0.8999(10) 0.9927(5) 0.075(5) Uani 1 1 d . . . . .
H75A H 0.9280 0.8948 1.0135 0.090 Uiso 1 1 calc R U . . .
H75B H 0.8740 0.9458 1.0057 0.090 Uiso 1 1 calc R U . . .
C76 C 0.5969(12) 0.0826(9) 0.8514(7) 0.090(6) Uani 1 1 d . . . . .
H76A H 0.5897 0.0419 0.8269 0.108 Uiso 1 1 calc R U . . .
H76B H 0.5539 0.0617 0.8717 0.108 Uiso 1 1 calc R U . . .
C77 C 0.8259(12) 0.5455(11) 0.1406(5) 0.081(5) Uani 1 1 d . . . . .
H77A H 0.8449 0.5488 0.1101 0.097 Uiso 1 1 calc R U . . .
H77B H 0.7687 0.5021 0.1365 0.097 Uiso 1 1 calc R U . . .
C78 C 0.9975(11) 0.3541(10) 0.9831(6) 0.081(5) Uani 1 1 d . . . . .
H78A H 1.0075 0.3155 0.9640 0.097 Uiso 1 1 calc R U . . .
H78B H 1.0513 0.3805 1.0078 0.097 Uiso 1 1 calc R U . . .
C79 C 0.7544(15) 0.7032(12) 0.1397(8) 0.118(8) Uani 1 1 d . . . . .
H79A H 0.8149 0.7424 0.1501 0.142 Uiso 1 1 calc R U . . .
H79B H 0.7219 0.7194 0.1147 0.142 Uiso 1 1 calc R U . . .
C80 C 0.5056(13) 0.1755(11) 0.8838(8) 0.104(5) Uani 1 1 d . U . . .
H80A H 0.5000 0.1284 0.8949 0.125 Uiso 1 1 calc R U . . .
H80B H 0.4505 0.1659 0.8610 0.125 Uiso 1 1 calc R U . . .
C81 C 0.5145(12) 0.2306(12) 0.9245(9) 0.116(8) Uani 1 1 d . . . . .
H81A H 0.4581 0.2157 0.9358 0.139 Uiso 1 1 calc R U . . .
H81B H 0.5287 0.2800 0.9149 0.139 Uiso 1 1 calc R U . . .
C82 C 0.9181(13) 0.3718(9) 1.0417(6) 0.091(6) Uani 1 1 d . . . . .
H82A H 0.9234 0.4173 1.0283 0.109 Uiso 1 1 calc R U . . .
H82B H 0.9695 0.3853 1.0678 0.109 Uiso 1 1 calc R U . . .
C83 C 0.9855(11) 0.4087(10) 0.9520(6) 0.094(6) Uani 1 1 d . . . . .
H83A H 0.9755 0.4478 0.9707 0.113 Uiso 1 1 calc R U . . .
H83B H 1.0400 0.4327 0.9395 0.113 Uiso 1 1 calc R U . . .
C84 C 0.6154(11) 0.9378(8) 1.0070(5) 0.064(4) Uani 1 1 d . . . . .
H84A H 0.6046 0.9486 1.0386 0.077 Uiso 1 1 calc R U . . .
H84B H 0.6623 0.9828 1.0005 0.077 Uiso 1 1 calc R U . . .
C85 C 0.9001(9) 0.9073(10) 0.9446(6) 0.076(5) Uani 1 1 d . . . . .
H85A H 0.9588 0.9486 0.9475 0.092 Uiso 1 1 calc R U . . .
H85B H 0.9045 0.8614 0.9316 0.092 Uiso 1 1 calc R U . . .
C86 C 0.8301(15) 0.3438(11) 1.0624(6) 0.095(6) Uani 1 1 d . . . . .
H86A H 0.8243 0.2989 1.0765 0.114 Uiso 1 1 calc R U . . .
H86B H 0.8336 0.3825 1.0873 0.114 Uiso 1 1 calc R U . . .
C87 C 0.5834(13) 0.2620(12) 0.8319(8) 0.135(10) Uani 1 1 d . . . . .
H87A H 0.5738 0.3002 0.8516 0.162 Uiso 1 1 calc R U . . .
H87B H 0.5336 0.2413 0.8045 0.162 Uiso 1 1 calc R U . . .
C88 C 0.8977(13) 0.5369(13) 0.1784(7) 0.112(8) Uani 1 1 d . . . . .
H88A H 0.9083 0.4933 0.1667 0.135 Uiso 1 1 calc R U . . .
H88B H 0.9540 0.5811 0.1821 0.135 Uiso 1 1 calc R U . . .
C89 C 0.5979(14) 0.2823(10) 1.0051(9) 0.101(8) Uani 1 1 d . . . . .
H89A H 0.5425 0.2635 1.0174 0.121 Uiso 1 1 calc R U . . .
H89B H 0.6074 0.3321 0.9973 0.121 Uiso 1 1 calc R U . . .
C90 C 0.3652(11) 0.0241(9) 0.6497(5) 0.072(5) Uani 1 1 d . . . . .
H90A H 0.3817 0.0643 0.6763 0.086 Uiso 1 1 calc R U . . .
H90B H 0.3297 -0.0232 0.6596 0.086 Uiso 1 1 calc R U . . .
C91 C 0.6763(14) 0.2887(10) 1.0434(7) 0.095(7) Uani 1 1 d . . . . .
H91A H 0.6759 0.3161 1.0733 0.114 Uiso 1 1 calc R U . . .
H91B H 0.6724 0.2389 1.0488 0.114 Uiso 1 1 calc R U . . .
C92 C 0.5768(14) 0.1388(11) 0.8292(8) 0.114(6) Uani 1 1 d . U . . .
H92A H 0.6184 0.1575 0.8078 0.137 Uiso 1 1 calc R U . . .
H92B H 0.5162 0.1150 0.8097 0.137 Uiso 1 1 calc R U . . .
C93 C 0.2534(15) 0.5032(12) 0.0084(9) 0.139(9) Uani 1 1 d . . . . .
H93A H 0.2547 0.5441 -0.0085 0.208 Uiso 1 1 calc R U . . .
H93B H 0.2046 0.4904 0.0254 0.208 Uiso 1 1 calc R U . . .
H93C H 0.2447 0.4601 -0.0140 0.208 Uiso 1 1 calc R U . . .
C94 C 0.0898(19) 0.7753(14) 0.1653(9) 0.160(10) Uani 1 1 d . U . . .
H94A H 0.0508 0.7305 0.1755 0.240 Uiso 1 1 calc R U . . .
H94B H 0.1472 0.7967 0.1871 0.240 Uiso 1 1 calc R U . . .
H94C H 0.0984 0.7626 0.1338 0.240 Uiso 1 1 calc R U . . .
C96 C 1.0066(17) 0.0980(13) 0.5322(8) 0.141(9) Uani 1 1 d . U . . .
H96A H 0.9817 0.0443 0.5315 0.211 Uiso 1 1 calc R U . . .
H96B H 1.0560 0.1215 0.5591 0.211 Uiso 1 1 calc R U . . .
H96C H 1.0282 0.1096 0.5032 0.211 Uiso 1 1 calc R U . . .
C97 C 0.075(2) 0.8847(12) 0.2011(9) 0.185(15) Uani 1 1 d . . . . .
H97A H 0.0485 0.8656 0.2274 0.278 Uiso 1 1 calc R U . . .
H97B H 0.0553 0.9225 0.1909 0.278 Uiso 1 1 calc R U . . .
H97C H 0.1401 0.9066 0.2109 0.278 Uiso 1 1 calc R U . . .
C98 C 0.928(2) 0.1813(19) 0.5722(10) 0.203(14) Uani 1 1 d . U . . .
H98A H 0.8731 0.1878 0.5610 0.305 Uiso 1 1 calc R U . . .
H98B H 0.9787 0.2289 0.5764 0.305 Uiso 1 1 calc R U . . .
H98C H 0.9250 0.1626 0.6022 0.305 Uiso 1 1 calc R U . . .
C99 C 0.5186(7) 0.3137(6) 0.3727(4) 0.040(3) Uani 1 1 d . . . . .
H99A H 0.4661 0.3083 0.3493 0.048 Uiso 1 1 calc R U . . .
H99B H 0.4975 0.2910 0.3999 0.048 Uiso 1 1 calc R U . . .
C100 C 0.5264(8) 0.4310(7) 0.4068(4) 0.041(3) Uani 1 1 d . . . . .
H10G H 0.5076 0.4114 0.4353 0.049 Uiso 1 1 calc R U . . .
H10H H 0.4724 0.4226 0.3835 0.049 Uiso 1 1 calc R U . . .
C101 C 0.5011(9) 0.3039(6) 0.5446(4) 0.045(3) Uani 1 1 d . . . . .
H10C H 0.4653 0.3296 0.5305 0.054 Uiso 1 1 calc R U . . .
H10D H 0.5513 0.3130 0.5282 0.054 Uiso 1 1 calc R U . . .
C102 C 0.7085(8) 0.3084(6) 0.6806(4) 0.041(3) Uani 1 1 d . . . . .
H10E H 0.7497 0.3192 0.6585 0.049 Uiso 1 1 calc R U . . .
H10F H 0.7427 0.3349 0.7122 0.049 Uiso 1 1 calc R U . . .
O1 O 0.5974(5) 0.3045(4) 0.6168(3) 0.0337(18) Uani 1 1 d . . . . .
C105 C 0.5275(12) 0.6179(9) 0.8881(6) 0.076(4) Uani 1 1 d . U . . .
H10I H 0.5642 0.6137 0.8653 0.091 Uiso 1 1 calc R U . . .
H10J H 0.4737 0.5712 0.8827 0.091 Uiso 1 1 calc R U . . .
C104 C 0.5789(12) 0.6303(9) 0.9369(6) 0.076(4) Uani 1 1 d . U . . .
H10K H 0.5432 0.6371 0.9597 0.091 Uiso 1 1 calc R U . . .
H10L H 0.5915 0.5864 0.9425 0.091 Uiso 1 1 calc R U . . .
O31 O -0.0510(11) 0.7713(11) 0.0937(6) 0.163(7) Uani 1 1 d . U . . .
C1A C -0.0178(18) 0.8275(15) 0.1336(10) 0.139(9) Uani 1 1 d . U . . .
H1AA H -0.0426 0.8628 0.1381 0.167 Uiso 1 1 calc R U . . .
C95 C 0.8783(18) 0.0901(17) 0.4953(9) 0.176(12) Uani 1 1 d D U . . .
H95 H 0.8767 0.0480 0.4765 0.212 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Sn1 Rh2 2.8378(10) . ?
Sn1 Rh1 2.9189(10) . ?
Sn1 Sn2 3.0536(10) . ?
Sn1 Sn3 3.0910(10) . ?
Sn1 Sn10 3.1390(10) . ?
Sn1 Sn14 3.1835(10) . ?
Sn1 Sn4 3.1897(10) . ?
Sn1 Sn15 3.2535(10) . ?
Sn2 Rh2 2.9836(11) . ?
Sn2 Rh3 3.0586(11) . ?
Sn2 Sn3 3.0666(10) . ?
Sn2 Sn5 3.1277(10) . ?
Sn2 Sn20 3.1275(11) . ?
Sn2 Sn16 3.1707(11) . ?
Sn3 Rh3 2.7529(11) . ?
Sn3 Rh1 2.7875(10) . ?
Sn3 Sn8 3.1175(11) . ?
Sn3 Sn21 3.1234(11) . ?
Sn3 Sn6 3.1788(10) . ?
Sn3 Sn22 3.2137(11) . ?
Sn4 Rh1 2.6814(10) . ?
Sn4 Rh2 2.6990(10) . ?
Sn4 Sn18 2.9635(10) . ?
Sn4 Sn11 3.0136(10) . ?
Sn4 Sn6 3.0260(10) . ?
Sn4 Sn5 3.1811(10) . ?
Sn5 Rh3 2.6570(11) . ?
Sn5 Rh2 2.6587(10) . ?
Sn5 Sn24 3.0007(10) . ?
Sn5 Sn17 3.0073(10) . ?
Sn5 Sn6 3.1098(10) . ?
Sn6 Rh3 2.7018(11) . ?
Sn6 Rh1 2.7254(11) . ?
Sn6 Sn23 2.9763(11) . ?
Sn6 Sn12 2.9946(11) . ?
Sn7 Rh1 2.7959(11) . ?
Sn7 Sn9 3.0030(12) . ?
Sn7 Sn11 3.0361(11) . ?
Sn7 Sn12 3.0445(12) . ?
Sn7 Sn8 3.0639(12) . ?
Sn7 Sn10 3.0826(11) . ?
Sn8 Rh1 2.7852(11) . ?
Sn8 Sn12 2.9732(13) . ?
Sn8 Sn9 3.1230(14) . ?
Sn9 Rh1 2.7272(11) . ?
Sn9 Sn10 3.0555(12) . ?
Sn10 Rh1 2.7817(11) . ?
Sn10 Sn11 2.9666(10) . ?
Sn11 Rh1 2.9125(10) . ?
Sn11 Sn12 2.9890(11) . ?
Sn12 Rh1 2.9043(11) . ?
Sn13 Rh2 2.8077(10) . ?
Sn13 Sn15 3.0223(11) . ?
Sn13 Sn17 3.0367(11) . ?
Sn13 Sn18 3.0402(10) . ?
Sn13 Sn14 3.0622(10) . ?
Sn13 Sn16 3.0830(11) . ?
Sn14 Rh2 2.7627(10) . ?
Sn14 Sn18 3.0063(10) . ?
Sn14 Sn15 3.0433(10) . ?
Sn15 Rh2 2.7102(10) . ?
Sn15 Sn16 3.0323(11) . ?
Sn16 Rh2 2.7485(10) . ?
Sn16 Sn17 2.9962(11) . ?
Sn17 Rh2 2.9207(11) . ?
Sn17 Sn18 2.9879(11) . ?
Sn18 Rh2 2.9205(10) . ?
Sn19 Rh3 2.7910(11) . ?
Sn19 Sn21 3.0251(12) . ?
Sn19 Sn23 3.0352(11) . ?
Sn19 Sn24 3.0474(11) . ?
Sn19 Sn20 3.0735(12) . ?
Sn19 Sn22 3.0751(12) . ?
Sn20 Rh3 2.7484(11) . ?
Sn20 Sn24 3.0121(11) . ?
Sn20 Sn21 3.0634(12) . ?
Sn21 Rh3 2.7351(11) . ?
Sn21 Sn22 3.0425(12) . ?
Sn22 Rh3 2.7844(11) . ?
Sn22 Sn23 2.9893(12) . ?
Sn23 Rh3 2.9009(11) . ?
Sn23 Sn24 2.9897(11) . ?
Sn24 Rh3 2.8916(11) . ?
K1 O25 2.684(10) . ?
K1 O12 2.760(8) . ?
K1 O10 2.775(8) . ?
K1 O24 2.811(11) . ?
K1 O23 2.819(10) . ?
K1 O26 2.968(12) . ?
K1 N2 2.977(11) . ?
K1 N1 3.044(11) . ?
K1 C60 3.254(16) . ?
K1 C10 3.525(12) . ?
K2 O6 2.784(8) . ?
K2 O21 2.823(10) . ?
K2 O1 2.825(7) . ?
K2 O4 2.830(8) . ?
K2 O9 2.869(9) . ?
K2 O13 2.872(9) . ?
K2 N4 2.988(9) . ?
K2 N5 3.007(11) . ?
K3 O14 2.823(8) . ?
K3 O3 2.827(7) . ?
K3 O11 2.839(8) . ?
K3 O8 2.843(7) . ?
K3 O5 2.844(7) . ?
K3 O2 2.851(7) . ?
K3 N7 2.954(9) . ?
K3 N6 3.018(9) . ?
K4 O19 2.713(10) . ?
K4 O17 2.715(9) . ?
K4 O7 2.801(8) . ?
K4 O16 2.832(9) . ?
K4 O20 2.858(10) . ?
K4 O22 2.881(8) . ?
K4 N8 2.925(11) . ?
K4 N9 2.935(11) . ?
K5 O27 2.743(10) . ?
K5 O28 2.824(11) . ?
K5 O15 2.833(9) . ?
K5 O18 2.833(9) . ?
K5 O30 2.837(10) . ?
K5 O29 2.849(11) . ?
K5 N3 2.919(12) . ?
K5 N10 3.015(17) . ?
O2 C17 1.410(12) . ?
O2 C2 1.409(13) . ?
O3 C99 1.416(12) . ?
O3 C100 1.427(12) . ?
O4 C90 1.394(16) . ?
O4 C56 1.432(18) . ?
O5 C46 1.415(13) . ?
O5 C37 1.432(14) . ?
O6 C14 1.405(14) . ?
O6 C19 1.442(14) . ?
O7 C23 1.401(15) . ?
O7 C18 1.412(15) . ?
O8 C6 1.421(14) . ?
O8 C1 1.437(13) . ?
O9 C102 1.396(12) . ?
O9 C52 1.438(15) . ?
O10 C10 1.396(14) . ?
O10 C47 1.438(15) . ?
O11 C27 1.400(15) . ?
O11 C31 1.443(14) . ?
O12 C36 1.395(15) . ?
O12 C16 1.398(13) . ?
O13 C22 1.389(17) . ?
O13 C39 1.438(15) . ?
O14 C11 1.414(13) . ?
O14 C20 1.422(13) . ?
O15 C61 1.41(2) . ?
O15 C29 1.431(16) . ?
O16 C85 1.408(17) . ?
O16 C69 1.423(17) . ?
O17 C38 1.406(15) . ?
O17 C35 1.422(17) . ?
O18 C26 1.404(15) . ?
O18 C83 1.440(18) . ?
O19 C58 1.370(18) . ?
O19 C104 1.431(18) . ?
O20 C105 1.424(17) . ?
O20 C8 1.427(18) . ?
O21 C43 1.39(2) . ?
O21 C73 1.415(19) . ?
O22 C44 1.408(17) . ?
O22 C84 1.425(17) . ?
O23 C79 1.372(18) . ?
O23 C65 1.474(18) . ?
O24 C77 1.431(18) . ?
O24 C70 1.43(2) . ?
O25 C64 1.392(17) . ?
O25 C55 1.417(18) . ?
O26 C60 1.284(16) . ?
O26 C59 1.395(18) . ?
O27 C50 1.402(16) . ?
O27 C40 1.423(19) . ?
O28 C89 1.41(2) . ?
O28 C81 1.48(2) . ?
O29 C86 1.38(2) . ?
O29 C91 1.400(18) . ?
O30 C74 1.413(17) . ?
O30 C76 1.479(19) . ?
O32 C95 1.51(3) . ?
N1 C28 1.412(18) . ?
N1 C24 1.509(18) . ?
N1 C62 1.511(18) . ?
N2 C88 1.432(19) . ?
N2 C66 1.452(18) . ?
N2 C51 1.494(19) . ?
N3 C78 1.420(17) . ?
N3 C82 1.444(19) . ?
N3 C57 1.486(19) . ?
N4 C5 1.430(14) . ?
N4 C101 1.479(14) . ?
N4 C15 1.486(14) . ?
N5 C53 1.431(19) . ?
N5 C25 1.463(18) . ?
N5 C63 1.49(2) . ?
N6 C33 1.441(16) . ?
N6 C42 1.468(14) . ?
N6 C9 1.474(16) . ?
N7 C13 1.467(14) . ?
N7 C45 1.486(15) . ?
N7 C21 1.503(14) . ?
N8 C75 1.460(19) . ?
N8 C68 1.501(17) . ?
N8 C67 1.522(18) . ?
N9 C72 1.432(17) . ?
N9 C4 1.460(15) . ?
N9 C34 1.522(17) . ?
N10 C92 1.40(2) . ?
N10 C80 1.45(2) . ?
N10 C87 1.48(2) . ?
N11 C95 1.342(10) . ?
N11 C96 1.44(3) . ?
N11 C98 1.50(3) . ?
N12 C1A 1.31(3) . ?
N12 C97 1.35(2) . ?
N12 C94 1.40(2) . ?
C1 C20 1.480(18) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C99 1.480(15) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 O1 1.412(13) . ?
C3 C102 1.484(16) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C18 1.486(17) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C14 1.500(16) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C42 1.491(16) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 O1 1.430(12) . ?
C7 C101 1.496(16) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C72 1.461(19) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C100 1.477(16) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C16 1.499(19) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C45 1.491(16) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C71 1.34(2) . ?
C12 C41 1.48(2) . ?
C12 H12 0.9300 . ?
C13 C17 1.484(16) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C22 1.478(18) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C90 1.49(2) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C37 1.493(17) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C84 1.42(2) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 C47 1.419(19) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C56 1.40(2) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 C29 1.48(2) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C33 1.501(17) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 C65 1.51(2) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 C41 1.28(2) . ?
C30 C32 1.37(2) . ?
C30 C93 1.54(3) . ?
C31 C46 1.463(17) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C54 1.41(2) . ?
C32 H32 0.9300 . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 C35 1.45(2) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 C51 1.50(2) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 C69 1.44(2) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 C43 1.47(2) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 C57 1.48(2) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 H41 0.9300 . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 C68 1.42(2) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C50 C74 1.51(2) . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C52 C63 1.50(2) . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C53 C73 1.51(2) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 C71 1.44(2) . ?
C54 H54 0.9300 . ?
C55 C66 1.46(2) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C58 C67 1.44(2) . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C59 C62 1.48(2) . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
C60 C64 1.55(2) . ?
C60 H60A 0.9700 . ?
C60 H60B 0.9700 . ?
C61 C87 1.49(3) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C65 H65A 0.9700 . ?
C65 H65B 0.9700 . ?
C66 H66A 0.9700 . ?
C66 H66B 0.9700 . ?
C67 H67A 0.9700 . ?
C67 H67B 0.9700 . ?
C68 H68A 0.9700 . ?
C68 H68B 0.9700 . ?
C69 H69A 0.9700 . ?
C69 H69B 0.9700 . ?
C70 C79 1.53(3) . ?
C70 H70A 0.9700 . ?
C70 H70B 0.9700 . ?
C71 H71 0.9300 . ?
C72 H72A 0.9700 . ?
C72 H72B 0.9700 . ?
C73 H73A 0.9700 . ?
C73 H73B 0.9700 . ?
C74 H74A 0.9700 . ?
C74 H74B 0.9700 . ?
C75 C85 1.48(2) . ?
C75 H75A 0.9700 . ?
C75 H75B 0.9700 . ?
C76 C92 1.43(2) . ?
C76 H76A 0.9700 . ?
C76 H76B 0.9700 . ?
C77 C88 1.54(2) . ?
C77 H77A 0.9700 . ?
C77 H77B 0.9700 . ?
C78 C83 1.49(2) . ?
C78 H78A 0.9700 . ?
C78 H78B 0.9700 . ?
C79 H79A 0.9700 . ?
C79 H79B 0.9700 . ?
C80 C81 1.46(3) . ?
C80 H80A 0.9700 . ?
C80 H80B 0.9700 . ?
C81 H81A 0.9700 . ?
C81 H81B 0.9700 . ?
C82 C86 1.56(2) . ?
C82 H82A 0.9700 . ?
C82 H82B 0.9700 . ?
C83 H83A 0.9700 . ?
C83 H83B 0.9700 . ?
C84 H84A 0.9700 . ?
C84 H84B 0.9700 . ?
C85 H85A 0.9700 . ?
C85 H85B 0.9700 . ?
C86 H86A 0.9700 . ?
C86 H86B 0.9700 . ?
C87 H87A 0.9700 . ?
C87 H87B 0.9700 . ?
C88 H88A 0.9700 . ?
C88 H88B 0.9700 . ?
C89 C91 1.51(3) . ?
C89 H89A 0.9700 . ?
C89 H89B 0.9700 . ?
C90 H90A 0.9700 . ?
C90 H90B 0.9700 . ?
C91 H91A 0.9700 . ?
C91 H91B 0.9700 . ?
C92 H92A 0.9700 . ?
C92 H92B 0.9700 . ?
C93 H93A 0.9600 . ?
C93 H93B 0.9600 . ?
C93 H93C 0.9600 . ?
C94 H94A 0.9600 . ?
C94 H94B 0.9600 . ?
C94 H94C 0.9600 . ?
C96 H96A 0.9600 . ?
C96 H96B 0.9600 . ?
C96 H96C 0.9600 . ?
C97 H97A 0.9600 . ?
C97 H97B 0.9600 . ?
C97 H97C 0.9600 . ?
C98 H98A 0.9600 . ?
C98 H98B 0.9600 . ?
C98 H98C 0.9600 . ?
C99 H99A 0.9700 . ?
C99 H99B 0.9700 . ?
C100 H10G 0.9700 . ?
C100 H10H 0.9700 . ?
C101 H10C 0.9700 . ?
C101 H10D 0.9700 . ?
C102 H10E 0.9700 . ?
C102 H10F 0.9700 . ?
C105 C104 1.47(2) . ?
C105 H10I 0.9700 . ?
C105 H10J 0.9700 . ?
C104 H10K 0.9700 . ?
C104 H10L 0.9700 . ?
O31 C1A 1.39(3) . ?
C1A H1AA 0.9300 . ?
C95 H95 0.9300 . ?

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
Rh2 Sn1 Rh1 101.25(3) . . ?
Rh2 Sn1 Sn2 60.72(3) . . ?
Rh1 Sn1 Sn2 104.76(3) . . ?
Rh2 Sn1 Sn3 102.72(3) . . ?
Rh1 Sn1 Sn3 55.18(2) . . ?
Sn2 Sn1 Sn3 59.87(2) . . ?
Rh2 Sn1 Sn10 112.45(3) . . ?
Rh1 Sn1 Sn10 54.52(2) . . ?
Sn2 Sn1 Sn10 158.10(3) . . ?
Sn3 Sn1 Sn10 105.19(3) . . ?
Rh2 Sn1 Sn14 54.26(2) . . ?
Rh1 Sn1 Sn14 109.98(3) . . ?
Sn2 Sn1 Sn14 110.06(3) . . ?
Sn3 Sn1 Sn14 152.40(3) . . ?
Sn10 Sn1 Sn14 75.31(3) . . ?
Rh2 Sn1 Sn4 52.81(2) . . ?
Rh1 Sn1 Sn4 51.84(2) . . ?
Sn2 Sn1 Sn4 93.22(3) . . ?
Sn3 Sn1 Sn4 86.98(3) . . ?
Sn10 Sn1 Sn4 68.79(2) . . ?
Sn14 Sn1 Sn4 67.20(2) . . ?
Rh2 Sn1 Sn15 52.30(2) . . ?
Rh1 Sn1 Sn15 153.53(3) . . ?
Sn2 Sn1 Sn15 65.53(2) . . ?
Sn3 Sn1 Sn15 124.98(3) . . ?
Sn10 Sn1 Sn15 129.01(3) . . ?
Sn14 Sn1 Sn15 56.42(2) . . ?
Sn4 Sn1 Sn15 102.68(3) . . ?
Rh2 Sn2 Sn1 56.06(2) . . ?
Rh2 Sn2 Rh3 97.91(3) . . ?
Sn1 Sn2 Rh3 101.21(3) . . ?
Rh2 Sn2 Sn3 99.95(3) . . ?
Sn1 Sn2 Sn3 60.67(2) . . ?
Rh3 Sn2 Sn3 53.41(2) . . ?
Rh2 Sn2 Sn5 51.51(2) . . ?
Sn1 Sn2 Sn5 89.03(3) . . ?
Rh3 Sn2 Sn5 50.86(2) . . ?
Sn3 Sn2 Sn5 85.82(3) . . ?
Rh2 Sn2 Sn20 116.90(3) . . ?
Sn1 Sn2 Sn20 153.53(3) . . ?
Rh3 Sn2 Sn20 52.74(2) . . ?
Sn3 Sn2 Sn20 99.55(3) . . ?
Sn5 Sn2 Sn20 71.04(3) . . ?
Rh2 Sn2 Sn16 52.95(2) . . ?
Sn1 Sn2 Sn16 103.54(3) . . ?
Rh3 Sn2 Sn16 112.49(3) . . ?
Sn3 Sn2 Sn16 150.23(3) . . ?
Sn5 Sn2 Sn16 67.90(2) . . ?
Sn20 Sn2 Sn16 85.36(3) . . ?
Rh3 Sn3 Rh1 105.09(3) . . ?
Rh3 Sn3 Sn2 63.14(3) . . ?
Rh1 Sn3 Sn2 107.75(3) . . ?
Rh3 Sn3 Sn1 107.72(3) . . ?
Rh1 Sn3 Sn1 59.28(2) . . ?
Sn2 Sn3 Sn1 59.46(2) . . ?
Rh3 Sn3 Sn8 112.92(3) . . ?
Rh1 Sn3 Sn8 55.95(2) . . ?
Sn2 Sn3 Sn8 162.80(3) . . ?
Sn1 Sn3 Sn8 109.45(3) . . ?
Rh3 Sn3 Sn21 55.04(3) . . ?
Rh1 Sn3 Sn21 159.21(4) . . ?
Sn2 Sn3 Sn21 70.61(3) . . ?
Sn1 Sn3 Sn21 128.32(3) . . ?
Sn8 Sn3 Sn21 122.20(3) . . ?
Rh3 Sn3 Sn6 53.61(2) . . ?
Rh1 Sn3 Sn6 53.88(2) . . ?
Sn2 Sn3 Sn6 94.86(3) . . ?
Sn1 Sn3 Sn6 91.85(3) . . ?
Sn8 Sn3 Sn6 71.40(3) . . ?
Sn21 Sn3 Sn6 105.33(3) . . ?
Rh3 Sn3 Sn22 54.98(3) . . ?
Rh1 Sn3 Sn22 107.85(3) . . ?
Sn2 Sn3 Sn22 114.09(3) . . ?
Sn1 Sn3 Sn22 157.30(3) . . ?
Sn8 Sn3 Sn22 70.57(3) . . ?
Sn21 Sn3 Sn22 57.36(3) . . ?
Sn6 Sn3 Sn22 66.28(2) . . ?
Rh1 Sn4 Rh2 111.61(3) . . ?
Rh1 Sn4 Sn18 160.26(4) . . ?
Rh2 Sn4 Sn18 61.89(3) . . ?
Rh1 Sn4 Sn11 61.19(3) . . ?
Rh2 Sn4 Sn11 155.59(4) . . ?
Sn18 Sn4 Sn11 116.16(3) . . ?
Rh1 Sn4 Sn6 56.66(3) . . ?
Rh2 Sn4 Sn6 106.17(3) . . ?
Sn18 Sn4 Sn6 141.82(3) . . ?
Sn11 Sn4 Sn6 89.32(3) . . ?
Rh1 Sn4 Sn5 102.51(3) . . ?
Rh2 Sn4 Sn5 52.99(2) . . ?
Sn18 Sn4 Sn5 88.19(3) . . ?
Sn11 Sn4 Sn5 148.46(3) . . ?
Sn6 Sn4 Sn5 60.07(2) . . ?
Rh1 Sn4 Sn1 58.87(2) . . ?
Rh2 Sn4 Sn1 56.89(2) . . ?
Sn18 Sn4 Sn1 106.27(3) . . ?
Sn11 Sn4 Sn1 104.60(3) . . ?
Sn6 Sn4 Sn1 92.86(3) . . ?
Sn5 Sn4 Sn1 85.73(2) . . ?
Rh3 Sn5 Rh2 118.03(4) . . ?
Rh3 Sn5 Sn24 61.12(3) . . ?
Rh2 Sn5 Sn24 160.95(4) . . ?
Rh3 Sn5 Sn17 165.22(4) . . ?
Rh2 Sn5 Sn17 61.70(3) . . ?
Sn24 Sn5 Sn17 113.77(3) . . ?
Rh3 Sn5 Sn6 55.20(3) . . ?
Rh2 Sn5 Sn6 104.89(3) . . ?
Sn24 Sn5 Sn6 90.01(3) . . ?
Sn17 Sn5 Sn6 139.48(3) . . ?
Rh3 Sn5 Sn2 63.23(3) . . ?
Rh2 Sn5 Sn2 61.45(3) . . ?
Sn24 Sn5 Sn2 106.17(3) . . ?
Sn17 Sn5 Sn2 107.96(3) . . ?
Sn6 Sn5 Sn2 95.03(3) . . ?
Rh3 Sn5 Sn4 103.57(3) . . ?
Rh2 Sn5 Sn4 54.16(2) . . ?
Sn24 Sn5 Sn4 144.41(3) . . ?
Sn17 Sn5 Sn4 88.10(3) . . ?
Sn6 Sn5 Sn4 57.49(2) . . ?
Sn2 Sn5 Sn4 91.99(3) . . ?
Rh3 Sn6 Rh1 108.26(3) . . ?
Rh3 Sn6 Sn23 61.22(3) . . ?
Rh1 Sn6 Sn23 156.10(4) . . ?
Rh3 Sn6 Sn12 149.98(4) . . ?
Rh1 Sn6 Sn12 60.81(3) . . ?
Sn23 Sn6 Sn12 116.38(3) . . ?
Rh3 Sn6 Sn4 106.67(3) . . ?
Rh1 Sn6 Sn4 55.28(2) . . ?
Sn23 Sn6 Sn4 145.95(3) . . ?
Sn12 Sn6 Sn4 89.95(3) . . ?
Rh3 Sn6 Sn5 53.86(2) . . ?
Rh1 Sn6 Sn5 103.32(3) . . ?
Sn23 Sn6 Sn5 87.65(3) . . ?
Sn12 Sn6 Sn5 151.73(3) . . ?
Sn4 Sn6 Sn5 62.44(2) . . ?
Rh3 Sn6 Sn3 55.11(3) . . ?
Rh1 Sn6 Sn3 55.71(3) . . ?
Sn23 Sn6 Sn3 105.48(3) . . ?
Sn12 Sn6 Sn3 101.95(3) . . ?
Sn4 Sn6 Sn3 88.29(3) . . ?
Sn5 Sn6 Sn3 84.23(2) . . ?
Rh1 Sn7 Sn9 55.97(3) . . ?
Rh1 Sn7 Sn11 59.75(3) . . ?
Sn9 Sn7 Sn11 107.32(3) . . ?
Rh1 Sn7 Sn12 59.46(3) . . ?
Sn9 Sn7 Sn12 108.09(3) . . ?
Sn11 Sn7 Sn12 58.89(3) . . ?
Rh1 Sn7 Sn8 56.54(3) . . ?
Sn9 Sn7 Sn8 61.95(3) . . ?
Sn11 Sn7 Sn8 105.66(3) . . ?
Sn12 Sn7 Sn8 58.25(3) . . ?
Rh1 Sn7 Sn10 56.23(3) . . ?
Sn9 Sn7 Sn10 60.26(3) . . ?
Sn11 Sn7 Sn10 58.00(2) . . ?
Sn12 Sn7 Sn10 105.00(3) . . ?
Sn8 Sn7 Sn10 107.42(3) . . ?
Rh1 Sn8 Sn12 60.47(3) . . ?
Rh1 Sn8 Sn7 56.87(3) . . ?
Sn12 Sn8 Sn7 60.55(3) . . ?
Rh1 Sn8 Sn3 56.02(3) . . ?
Sn12 Sn8 Sn3 103.91(3) . . ?
Sn7 Sn8 Sn3 107.96(3) . . ?
Rh1 Sn8 Sn9 54.62(3) . . ?
Sn12 Sn8 Sn9 106.82(3) . . ?
Sn7 Sn8 Sn9 58.06(3) . . ?
Sn3 Sn8 Sn9 64.03(3) . . ?
Rh1 Sn9 Sn7 58.17(3) . . ?
Rh1 Sn9 Sn10 57.17(3) . . ?
Sn7 Sn9 Sn10 61.16(3) . . ?
Rh1 Sn9 Sn8 56.37(3) . . ?
Sn7 Sn9 Sn8 59.98(3) . . ?
Sn10 Sn9 Sn8 106.62(3) . . ?
Rh1 Sn10 Sn11 60.79(3) . . ?
Rh1 Sn10 Sn9 55.47(3) . . ?
Sn11 Sn10 Sn9 107.75(3) . . ?
Rh1 Sn10 Sn7 56.67(3) . . ?
Sn11 Sn10 Sn7 60.22(3) . . ?
Sn9 Sn10 Sn7 58.58(3) . . ?
Rh1 Sn10 Sn1 58.71(2) . . ?
Sn11 Sn10 Sn1 107.01(3) . . ?
Sn9 Sn10 Sn1 64.57(3) . . ?
Sn7 Sn10 Sn1 109.89(3) . . ?
Rh1 Sn11 Sn10 56.47(3) . . ?
Rh1 Sn11 Sn12 58.94(3) . . ?
Sn10 Sn11 Sn12 109.41(3) . . ?
Rh1 Sn11 Sn4 53.77(2) . . ?
Sn10 Sn11 Sn4 73.43(3) . . ?
Sn12 Sn11 Sn4 90.29(3) . . ?
Rh1 Sn11 Sn7 56.02(2) . . ?
Sn10 Sn11 Sn7 61.79(3) . . ?
Sn12 Sn11 Sn7 60.70(3) . . ?
Sn4 Sn11 Sn7 109.15(3) . . ?
Rh1 Sn12 Sn8 56.56(3) . . ?
Rh1 Sn12 Sn11 59.21(3) . . ?
Sn8 Sn12 Sn11 109.23(3) . . ?
Rh1 Sn12 Sn6 55.01(2) . . ?
Sn8 Sn12 Sn6 76.00(3) . . ?
Sn11 Sn12 Sn6 90.39(3) . . ?
Rh1 Sn12 Sn7 56.01(3) . . ?
Sn8 Sn12 Sn7 61.20(3) . . ?
Sn11 Sn12 Sn7 60.42(3) . . ?
Sn6 Sn12 Sn7 110.58(3) . . ?
Rh2 Sn13 Sn15 55.26(2) . . ?
Rh2 Sn13 Sn17 59.81(3) . . ?
Sn15 Sn13 Sn17 107.17(3) . . ?
Rh2 Sn13 Sn18 59.76(2) . . ?
Sn15 Sn13 Sn18 107.40(3) . . ?
Sn17 Sn13 Sn18 58.90(3) . . ?
Rh2 Sn13 Sn14 55.95(2) . . ?
Sn15 Sn13 Sn14 60.02(2) . . ?
Sn17 Sn13 Sn14 105.68(3) . . ?
Sn18 Sn13 Sn14 59.03(2) . . ?
Rh2 Sn13 Sn16 55.39(2) . . ?
Sn15 Sn13 Sn16 59.55(2) . . ?
Sn17 Sn13 Sn16 58.62(3) . . ?
Sn18 Sn13 Sn16 105.02(3) . . ?
Sn14 Sn13 Sn16 105.42(3) . . ?
Rh2 Sn14 Sn18 60.65(3) . . ?
Rh2 Sn14 Sn15 55.40(2) . . ?
Sn18 Sn14 Sn15 107.73(3) . . ?
Rh2 Sn14 Sn13 57.36(2) . . ?
Sn18 Sn14 Sn13 60.12(2) . . ?
Sn15 Sn14 Sn13 59.34(2) . . ?
Rh2 Sn14 Sn1 56.48(2) . . ?
Sn18 Sn14 Sn1 105.39(3) . . ?
Sn15 Sn14 Sn1 62.95(2) . . ?
Sn13 Sn14 Sn1 108.44(3) . . ?
Rh2 Sn15 Sn13 58.35(2) . . ?
Rh2 Sn15 Sn16 56.86(3) . . ?
Sn13 Sn15 Sn16 61.22(3) . . ?
Rh2 Sn15 Sn14 57.04(2) . . ?
Sn13 Sn15 Sn14 60.64(2) . . ?
Sn16 Sn15 Sn14 107.16(3) . . ?
Rh2 Sn15 Sn1 55.94(2) . . ?
Sn13 Sn15 Sn1 107.64(3) . . ?
Sn16 Sn15 Sn1 102.08(3) . . ?
Sn14 Sn15 Sn1 60.63(2) . . ?
Rh2 Sn16 Sn17 60.94(3) . . ?
Rh2 Sn16 Sn15 55.66(2) . . ?
Sn17 Sn16 Sn15 107.96(3) . . ?
Rh2 Sn16 Sn13 57.22(2) . . ?
Sn17 Sn16 Sn13 59.92(3) . . ?
Sn15 Sn16 Sn13 59.23(2) . . ?
Rh2 Sn16 Sn2 60.03(3) . . ?
Sn17 Sn16 Sn2 107.13(3) . . ?
Sn15 Sn16 Sn2 66.82(3) . . ?
Sn13 Sn16 Sn2 112.50(3) . . ?
Rh2 Sn17 Sn18 59.23(2) . . ?
Rh2 Sn17 Sn16 55.34(2) . . ?
Sn18 Sn17 Sn16 108.57(3) . . ?
Rh2 Sn17 Sn5 53.27(2) . . ?
Sn18 Sn17 Sn5 91.07(3) . . ?
Sn16 Sn17 Sn5 71.74(3) . . ?
Rh2 Sn17 Sn13 56.20(2) . . ?
Sn18 Sn17 Sn13 60.61(2) . . ?
Sn16 Sn17 Sn13 61.46(3) . . ?
Sn5 Sn17 Sn13 108.68(3) . . ?
Rh2 Sn18 Sn4 54.60(2) . . ?
Rh2 Sn18 Sn17 59.24(3) . . ?
Sn4 Sn18 Sn17 92.65(3) . . ?
Rh2 Sn18 Sn14 55.55(2) . . ?
Sn4 Sn18 Sn14 72.42(3) . . ?
Sn17 Sn18 Sn14 108.36(3) . . ?
Rh2 Sn18 Sn13 56.16(2) . . ?
Sn4 Sn18 Sn13 109.80(3) . . ?
Sn17 Sn18 Sn13 60.49(2) . . ?
Sn14 Sn18 Sn13 60.85(2) . . ?
Rh3 Sn19 Sn21 55.93(3) . . ?
Rh3 Sn19 Sn23 59.55(3) . . ?
Sn21 Sn19 Sn23 107.16(3) . . ?
Rh3 Sn19 Sn24 59.18(3) . . ?
Sn21 Sn19 Sn24 107.69(3) . . ?
Sn23 Sn19 Sn24 58.88(3) . . ?
Rh3 Sn19 Sn20 55.64(3) . . ?
Sn21 Sn19 Sn20 60.30(3) . . ?
Sn23 Sn19 Sn20 105.50(3) . . ?
Sn24 Sn19 Sn20 58.95(3) . . ?
Rh3 Sn19 Sn22 56.42(3) . . ?
Sn21 Sn19 Sn22 59.83(3) . . ?
Sn23 Sn19 Sn22 58.57(3) . . ?
Sn24 Sn19 Sn22 105.38(3) . . ?
Sn20 Sn19 Sn22 105.95(3) . . ?
Rh3 Sn20 Sn24 60.05(3) . . ?
Rh3 Sn20 Sn21 55.83(3) . . ?
Sn24 Sn20 Sn21 107.61(3) . . ?
Rh3 Sn20 Sn19 56.96(3) . . ?
Sn24 Sn20 Sn19 60.09(3) . . ?
Sn21 Sn20 Sn19 59.07(3) . . ?
Rh3 Sn20 Sn2 62.34(3) . . ?
Sn24 Sn20 Sn2 105.90(3) . . ?
Sn21 Sn20 Sn2 70.59(3) . . ?
Sn19 Sn20 Sn2 115.48(3) . . ?
Rh3 Sn21 Sn19 57.70(3) . . ?
Rh3 Sn21 Sn22 57.33(3) . . ?
Sn19 Sn21 Sn22 60.90(3) . . ?
Rh3 Sn21 Sn20 56.24(3) . . ?
Sn19 Sn21 Sn20 60.63(3) . . ?
Sn22 Sn21 Sn20 107.02(3) . . ?
Rh3 Sn21 Sn3 55.58(3) . . ?
Sn19 Sn21 Sn3 108.01(3) . . ?
Sn22 Sn21 Sn3 62.81(3) . . ?
Sn20 Sn21 Sn3 99.71(3) . . ?
Rh3 Sn22 Sn23 60.20(3) . . ?
Rh3 Sn22 Sn21 55.78(3) . . ?
Sn23 Sn22 Sn21 107.89(3) . . ?
Rh3 Sn22 Sn19 56.63(3) . . ?
Sn23 Sn22 Sn19 60.05(3) . . ?
Sn21 Sn22 Sn19 59.27(3) . . ?
Rh3 Sn22 Sn3 54.07(3) . . ?
Sn23 Sn22 Sn3 104.31(3) . . ?
Sn21 Sn22 Sn3 59.83(3) . . ?
Sn19 Sn22 Sn3 104.55(3) . . ?
Rh3 Sn23 Sn6 54.72(2) . . ?
Rh3 Sn23 Sn22 56.40(3) . . ?
Sn6 Sn23 Sn22 71.72(3) . . ?
Rh3 Sn23 Sn24 58.77(3) . . ?
Sn6 Sn23 Sn24 92.84(3) . . ?
Sn22 Sn23 Sn24 109.07(3) . . ?
Rh3 Sn23 Sn19 56.04(3) . . ?
Sn6 Sn23 Sn19 109.57(3) . . ?
Sn22 Sn23 Sn19 61.38(3) . . ?
Sn24 Sn23 Sn19 60.76(3) . . ?
Rh3 Sn24 Sn23 59.08(3) . . ?
Rh3 Sn24 Sn5 53.57(2) . . ?
Sn23 Sn24 Sn5 89.45(3) . . ?
Rh3 Sn24 Sn20 55.45(3) . . ?
Sn23 Sn24 Sn20 108.23(3) . . ?
Sn5 Sn24 Sn20 74.37(3) . . ?
Rh3 Sn24 Sn19 55.99(3) . . ?
Sn23 Sn24 Sn19 60.36(3) . . ?
Sn5 Sn24 Sn19 109.12(3) . . ?
Sn20 Sn24 Sn19 60.95(3) . . ?
Sn4 Rh1 Sn6 68.06(3) . . ?
Sn4 Rh1 Sn9 137.29(4) . . ?
Sn6 Rh1 Sn9 141.00(4) . . ?
Sn4 Rh1 Sn10 81.73(3) . . ?
Sn6 Rh1 Sn10 149.21(4) . . ?
Sn9 Rh1 Sn10 67.36(3) . . ?
Sn4 Rh1 Sn8 151.37(4) . . ?
Sn6 Rh1 Sn8 83.63(3) . . ?
Sn9 Rh1 Sn8 69.01(3) . . ?
Sn10 Rh1 Sn8 125.74(4) . . ?
Sn4 Rh1 Sn3 104.45(3) . . ?
Sn6 Rh1 Sn3 70.42(3) . . ?
Sn9 Rh1 Sn3 73.72(3) . . ?
Sn10 Rh1 Sn3 125.40(4) . . ?
Sn8 Rh1 Sn3 68.03(3) . . ?
Sn4 Rh1 Sn7 128.31(4) . . ?
Sn6 Rh1 Sn7 128.09(4) . . ?
Sn9 Rh1 Sn7 65.86(3) . . ?
Sn10 Rh1 Sn7 67.10(3) . . ?
Sn8 Rh1 Sn7 66.59(3) . . ?
Sn3 Rh1 Sn7 127.14(4) . . ?
Sn4 Rh1 Sn12 99.17(3) . . ?
Sn6 Rh1 Sn12 64.18(3) . . ?
Sn9 Rh1 Sn12 120.72(4) . . ?
Sn10 Rh1 Sn12 117.48(3) . . ?
Sn8 Rh1 Sn12 62.97(3) . . ?
Sn3 Rh1 Sn12 114.87(3) . . ?
Sn7 Rh1 Sn12 64.53(3) . . ?
Sn4 Rh1 Sn11 65.04(3) . . ?
Sn6 Rh1 Sn11 97.64(3) . . ?
Sn9 Rh1 Sn11 119.17(4) . . ?
Sn10 Rh1 Sn11 62.75(3) . . ?
Sn8 Rh1 Sn11 117.08(3) . . ?
Sn3 Rh1 Sn11 166.93(4) . . ?
Sn7 Rh1 Sn11 64.22(3) . . ?
Sn12 Rh1 Sn11 61.84(3) . . ?
Sn4 Rh1 Sn1 69.29(3) . . ?
Sn6 Rh1 Sn1 105.85(3) . . ?
Sn9 Rh1 Sn1 71.68(3) . . ?
Sn10 Rh1 Sn1 66.77(3) . . ?
Sn8 Rh1 Sn1 125.37(4) . . ?
Sn3 Rh1 Sn1 65.55(3) . . ?
Sn7 Rh1 Sn1 126.04(4) . . ?
Sn12 Rh1 Sn1 167.54(4) . . ?
Sn11 Rh1 Sn1 114.67(3) . . ?
Sn5 Rh2 Sn4 72.84(3) . . ?
Sn5 Rh2 Sn15 136.84(4) . . ?
Sn4 Rh2 Sn15 136.92(4) . . ?
Sn5 Rh2 Sn16 81.15(3) . . ?
Sn4 Rh2 Sn16 153.54(4) . . ?
Sn15 Rh2 Sn16 67.48(3) . . ?
Sn5 Rh2 Sn14 153.04(4) . . ?
Sn4 Rh2 Sn14 80.44(3) . . ?
Sn15 Rh2 Sn14 67.56(3) . . ?
Sn16 Rh2 Sn14 125.02(3) . . ?
Sn5 Rh2 Sn13 127.86(4) . . ?
Sn4 Rh2 Sn13 126.25(4) . . ?
Sn15 Rh2 Sn13 66.39(3) . . ?
Sn16 Rh2 Sn13 67.39(3) . . ?
Sn14 Rh2 Sn13 66.69(3) . . ?
Sn5 Rh2 Sn1 104.05(3) . . ?
Sn4 Rh2 Sn1 70.30(3) . . ?
Sn15 Rh2 Sn1 71.77(3) . . ?
Sn16 Rh2 Sn1 122.16(3) . . ?
Sn14 Rh2 Sn1 69.27(3) . . ?
Sn13 Rh2 Sn1 127.70(3) . . ?
Sn5 Rh2 Sn18 100.04(3) . . ?
Sn4 Rh2 Sn18 63.51(3) . . ?
Sn15 Rh2 Sn18 120.35(3) . . ?
Sn16 Rh2 Sn18 117.94(3) . . ?
Sn14 Rh2 Sn18 63.80(3) . . ?
Sn13 Rh2 Sn18 64.07(3) . . ?
Sn1 Rh2 Sn18 117.56(3) . . ?
Sn5 Rh2 Sn17 65.03(3) . . ?
Sn4 Rh2 Sn17 99.91(3) . . ?
Sn15 Rh2 Sn17 119.93(3) . . ?
Sn16 Rh2 Sn17 63.72(3) . . ?
Sn14 Rh2 Sn17 117.54(3) . . ?
Sn13 Rh2 Sn17 63.99(3) . . ?
Sn1 Rh2 Sn17 167.65(4) . . ?
Sn18 Rh2 Sn17 61.53(3) . . ?
Sn5 Rh2 Sn2 67.04(3) . . ?
Sn4 Rh2 Sn2 105.88(3) . . ?
Sn15 Rh2 Sn2 73.59(3) . . ?
Sn16 Rh2 Sn2 67.02(3) . . ?
Sn14 Rh2 Sn2 125.59(3) . . ?
Sn13 Rh2 Sn2 127.74(3) . . ?
Sn1 Rh2 Sn2 63.22(3) . . ?
Sn18 Rh2 Sn2 165.98(3) . . ?
Sn17 Rh2 Sn2 114.38(3) . . ?
Sn5 Rh3 Sn6 70.94(3) . . ?
Sn5 Rh3 Sn21 139.95(4) . . ?
Sn6 Rh3 Sn21 134.34(4) . . ?
Sn5 Rh3 Sn20 84.48(3) . . ?
Sn6 Rh3 Sn20 155.24(4) . . ?
Sn21 Rh3 Sn20 67.92(3) . . ?
Sn5 Rh3 Sn3 102.44(3) . . ?
Sn6 Rh3 Sn3 71.28(3) . . ?
Sn21 Rh3 Sn3 69.38(3) . . ?
Sn20 Rh3 Sn3 118.57(4) . . ?
Sn5 Rh3 Sn22 149.76(4) . . ?
Sn6 Rh3 Sn22 79.12(3) . . ?
Sn21 Rh3 Sn22 66.90(3) . . ?
Sn20 Rh3 Sn22 125.06(4) . . ?
Sn3 Rh3 Sn22 70.95(3) . . ?
Sn5 Rh3 Sn19 129.49(4) . . ?
Sn6 Rh3 Sn19 126.80(4) . . ?
Sn21 Rh3 Sn19 66.37(3) . . ?
Sn20 Rh3 Sn19 67.39(3) . . ?
Sn3 Rh3 Sn19 127.62(4) . . ?
Sn22 Rh3 Sn19 66.95(3) . . ?
Sn5 Rh3 Sn24 65.32(3) . . ?
Sn6 Rh3 Sn24 101.14(3) . . ?
Sn21 Rh3 Sn24 121.22(4) . . ?
Sn20 Rh3 Sn24 64.50(3) . . ?
Sn3 Rh3 Sn24 167.53(4) . . ?
Sn22 Rh3 Sn24 118.16(4) . . ?
Sn19 Rh3 Sn24 64.83(3) . . ?
Sn5 Rh3 Sn23 98.57(3) . . ?
Sn6 Rh3 Sn23 64.06(3) . . ?
Sn21 Rh3 Sn23 119.79(4) . . ?
Sn20 Rh3 Sn23 118.78(4) . . ?
Sn3 Rh3 Sn23 120.14(4) . . ?
Sn22 Rh3 Sn23 63.40(3) . . ?
Sn19 Rh3 Sn23 64.42(3) . . ?
Sn24 Rh3 Sn23 62.15(3) . . ?
Sn5 Rh3 Sn2 65.92(3) . . ?
Sn6 Rh3 Sn2 105.82(3) . . ?
Sn21 Rh3 Sn2 76.04(3) . . ?
Sn20 Rh3 Sn2 64.92(3) . . ?
Sn3 Rh3 Sn2 63.44(3) . . ?
Sn22 Rh3 Sn2 128.78(4) . . ?
Sn19 Rh3 Sn2 127.33(4) . . ?
Sn24 Rh3 Sn2 110.86(3) . . ?
Sn23 Rh3 Sn2 164.17(4) . . ?
O25 K1 O12 105.5(3) . . ?
O25 K1 O10 131.6(3) . . ?
O12 K1 O10 61.3(3) . . ?
O25 K1 O24 87.0(3) . . ?
O12 K1 O24 99.8(3) . . ?
O10 K1 O24 138.9(3) . . ?
O25 K1 O23 120.6(4) . . ?
O12 K1 O23 126.1(3) . . ?
O10 K1 O23 100.3(3) . . ?
O24 K1 O23 59.7(3) . . ?
O25 K1 O26 58.0(3) . . ?
O12 K1 O26 126.1(3) . . ?
O10 K1 O26 90.9(3) . . ?
O24 K1 O26 126.7(4) . . ?
O23 K1 O26 102.5(3) . . ?
O25 K1 N2 59.6(3) . . ?
O12 K1 N2 61.3(3) . . ?
O10 K1 N2 121.9(3) . . ?
O24 K1 N2 60.5(3) . . ?
O23 K1 N2 120.0(3) . . ?
O26 K1 N2 116.0(3) . . ?
O25 K1 N1 115.8(4) . . ?
O12 K1 N1 122.2(3) . . ?
O10 K1 N1 61.1(3) . . ?
O24 K1 N1 120.1(4) . . ?
O23 K1 N1 61.2(3) . . ?
O26 K1 N1 59.6(3) . . ?
N2 K1 N1 175.3(4) . . ?
O25 K1 C60 45.6(4) . . ?
O12 K1 C60 140.7(4) . . ?
O10 K1 C60 113.7(3) . . ?
O24 K1 C60 103.6(4) . . ?
O23 K1 C60 93.0(4) . . ?
O26 K1 C60 23.2(3) . . ?
N2 K1 C60 104.6(4) . . ?
N1 K1 C60 70.7(4) . . ?
O25 K1 C10 134.7(4) . . ?
O12 K1 C10 41.8(3) . . ?
O10 K1 C10 21.7(3) . . ?
O24 K1 C10 122.5(3) . . ?
O23 K1 C10 104.5(4) . . ?
O26 K1 C10 110.3(3) . . ?
N2 K1 C10 103.0(3) . . ?
N1 K1 C10 80.6(3) . . ?
C60 K1 C10 133.5(4) . . ?
O6 K2 O21 137.7(3) . . ?
O6 K2 O1 95.4(2) . . ?
O21 K2 O1 121.8(3) . . ?
O6 K2 O4 60.9(3) . . ?
O21 K2 O4 97.5(3) . . ?
O1 K2 O4 135.5(3) . . ?
O6 K2 O9 117.2(3) . . ?
O21 K2 O9 100.0(3) . . ?
O1 K2 O9 59.4(2) . . ?
O4 K2 O9 96.4(3) . . ?
O6 K2 O13 99.1(3) . . ?
O21 K2 O13 58.3(3) . . ?
O1 K2 O13 99.8(2) . . ?
O4 K2 O13 119.7(3) . . ?
O9 K2 O13 138.5(3) . . ?
O6 K2 N4 60.7(2) . . ?
O21 K2 N4 118.2(3) . . ?
O1 K2 N4 60.8(2) . . ?
O4 K2 N4 120.5(3) . . ?
O9 K2 N4 119.5(2) . . ?
O13 K2 N4 60.7(3) . . ?
O6 K2 N5 120.6(3) . . ?
O21 K2 N5 60.5(4) . . ?
O1 K2 N5 119.1(3) . . ?
O4 K2 N5 60.7(3) . . ?
O9 K2 N5 60.6(3) . . ?
O13 K2 N5 118.2(3) . . ?
N4 K2 N5 178.6(3) . . ?
O14 K3 O3 137.1(2) . . ?
O14 K3 O11 119.4(3) . . ?
O3 K3 O11 98.1(2) . . ?
O14 K3 O8 60.5(2) . . ?
O3 K3 O8 96.3(2) . . ?
O11 K3 O8 98.6(2) . . ?
O14 K3 O5 99.4(2) . . ?
O3 K3 O5 118.2(2) . . ?
O11 K3 O5 59.5(2) . . ?
O8 K3 O5 140.1(2) . . ?
O14 K3 O2 96.7(2) . . ?
O3 K3 O2 59.4(2) . . ?
O11 K3 O2 139.6(2) . . ?
O8 K3 O2 115.9(2) . . ?
O5 K3 O2 99.6(2) . . ?
O14 K3 N7 60.8(3) . . ?
O3 K3 N7 118.8(3) . . ?
O11 K3 N7 120.0(3) . . ?
O8 K3 N7 119.9(3) . . ?
O5 K3 N7 61.7(2) . . ?
O2 K3 N7 60.7(2) . . ?
O14 K3 N6 119.5(3) . . ?
O3 K3 N6 61.1(2) . . ?
O11 K3 N6 59.7(2) . . ?
O8 K3 N6 60.4(2) . . ?
O5 K3 N6 118.0(3) . . ?
O2 K3 N6 119.3(2) . . ?
N7 K3 N6 179.6(3) . . ?
O19 K4 O17 130.8(3) . . ?
O19 K4 O7 131.4(3) . . ?
O17 K4 O7 94.3(3) . . ?
O19 K4 O16 106.9(3) . . ?
O17 K4 O16 60.8(3) . . ?
O7 K4 O16 111.6(3) . . ?
O19 K4 O20 60.8(3) . . ?
O17 K4 O20 107.1(3) . . ?
O7 K4 O20 92.9(3) . . ?
O16 K4 O20 152.7(3) . . ?
O19 K4 O22 89.4(3) . . ?
O17 K4 O22 137.0(3) . . ?
O7 K4 O22 57.6(3) . . ?
O16 K4 O22 97.4(3) . . ?
O20 K4 O22 106.2(3) . . ?
O19 K4 N8 59.9(4) . . ?
O17 K4 N8 121.7(4) . . ?
O7 K4 N8 115.8(3) . . ?
O16 K4 N8 61.9(4) . . ?
O20 K4 N8 118.9(4) . . ?
O22 K4 N8 60.4(3) . . ?
O19 K4 N9 119.8(3) . . ?
O17 K4 N9 61.1(3) . . ?
O7 K4 N9 61.8(3) . . ?
O16 K4 N9 120.5(3) . . ?
O20 K4 N9 60.1(3) . . ?
O22 K4 N9 116.7(3) . . ?
N8 K4 N9 176.8(3) . . ?
O27 K5 O28 112.2(3) . . ?
O27 K5 O15 139.3(3) . . ?
O28 K5 O15 101.2(3) . . ?
O27 K5 O18 100.0(3) . . ?
O28 K5 O18 144.0(3) . . ?
O15 K5 O18 59.3(3) . . ?
O27 K5 O30 60.5(3) . . ?
O28 K5 O30 94.1(4) . . ?
O15 K5 O30 95.6(3) . . ?
O18 K5 O30 116.3(3) . . ?
O27 K5 O29 97.8(3) . . ?
O28 K5 O29 60.7(4) . . ?
O15 K5 O29 119.1(3) . . ?
O18 K5 O29 100.4(3) . . ?
O30 K5 O29 139.3(3) . . ?
O27 K5 N3 62.2(4) . . ?
O28 K5 N3 120.7(4) . . ?
O15 K5 N3 119.1(3) . . ?
O18 K5 N3 61.0(3) . . ?
O30 K5 N3 120.7(4) . . ?
O29 K5 N3 62.0(3) . . ?
O27 K5 N10 118.8(4) . . ?
O28 K5 N10 60.4(5) . . ?
O15 K5 N10 59.4(4) . . ?
O18 K5 N10 117.4(4) . . ?
O30 K5 N10 59.8(4) . . ?
O29 K5 N10 118.7(4) . . ?
N3 K5 N10 178.4(4) . . ?
C17 O2 C2 111.1(8) . . ?
C17 O2 K3 116.2(6) . . ?
C2 O2 K3 115.7(6) . . ?
C99 O3 C100 111.5(8) . . ?
C99 O3 K3 116.3(6) . . ?
C100 O3 K3 116.4(6) . . ?
C90 O4 C56 112.8(11) . . ?
C90 O4 K2 112.6(8) . . ?
C56 O4 K2 114.4(8) . . ?
C46 O5 C37 111.2(10) . . ?
C46 O5 K3 112.7(7) . . ?
C37 O5 K3 116.3(7) . . ?
C14 O6 C19 111.7(10) . . ?
C14 O6 K2 116.7(6) . . ?
C19 O6 K2 114.9(7) . . ?
C23 O7 C18 111.5(10) . . ?
C23 O7 K4 120.1(8) . . ?
C18 O7 K4 117.5(6) . . ?
C6 O8 C1 110.7(9) . . ?
C6 O8 K3 115.4(6) . . ?
C1 O8 K3 113.4(6) . . ?
C102 O9 C52 111.3(10) . . ?
C102 O9 K2 113.2(6) . . ?
C52 O9 K2 115.3(8) . . ?
C10 O10 C47 111.8(10) . . ?
C10 O10 K1 111.0(7) . . ?
C47 O10 K1 115.2(8) . . ?
C27 O11 C31 111.2(9) . . ?
C27 O11 K3 119.2(7) . . ?
C31 O11 K3 116.5(6) . . ?
C36 O12 C16 111.7(10) . . ?
C36 O12 K1 117.9(7) . . ?
C16 O12 K1 115.5(7) . . ?
C22 O13 C39 110.1(11) . . ?
C22 O13 K2 115.8(7) . . ?
C39 O13 K2 114.6(9) . . ?
C11 O14 C20 111.3(9) . . ?
C11 O14 K3 118.5(7) . . ?
C20 O14 K3 114.2(6) . . ?
C61 O15 C29 109.3(13) . . ?
C61 O15 K5 121.0(10) . . ?
C29 O15 K5 115.6(7) . . ?
C85 O16 C69 112.0(11) . . ?
C85 O16 K4 113.4(9) . . ?
C69 O16 K4 109.3(7) . . ?
C38 O17 C35 114.3(11) . . ?
C38 O17 K4 117.9(8) . . ?
C35 O17 K4 124.7(8) . . ?
C26 O18 C83 114.3(12) . . ?
C26 O18 K5 114.0(8) . . ?
C83 O18 K5 116.5(8) . . ?
C58 O19 C104 111.2(13) . . ?
C58 O19 K4 126.7(10) . . ?
C104 O19 K4 117.4(9) . . ?
C105 O20 C8 110.5(11) . . ?
C105 O20 K4 111.1(9) . . ?
C8 O20 K4 112.8(9) . . ?
C43 O21 C73 112.1(13) . . ?
C43 O21 K2 118.2(9) . . ?
C73 O21 K2 117.8(11) . . ?
C44 O22 C84 109.8(11) . . ?
C44 O22 K4 116.1(8) . . ?
C84 O22 K4 114.4(8) . . ?
C79 O23 C65 111.4(13) . . ?
C79 O23 K1 115.3(10) . . ?
C65 O23 K1 115.6(9) . . ?
C77 O24 C70 110.3(15) . . ?
C77 O24 K1 115.7(9) . . ?
C70 O24 K1 115.7(9) . . ?
C64 O25 C55 115.0(12) . . ?
C64 O25 K1 118.7(10) . . ?
C55 O25 K1 124.7(9) . . ?
C60 O26 C59 116.2(13) . . ?
C60 O26 K1 91.0(10) . . ?
C59 O26 K1 118.4(10) . . ?
C50 O27 C40 113.0(12) . . ?
C50 O27 K5 118.2(9) . . ?
C40 O27 K5 117.4(9) . . ?
C89 O28 C81 112.7(15) . . ?
C89 O28 K5 112.7(11) . . ?
C81 O28 K5 114.8(10) . . ?
C86 O29 C91 109.5(14) . . ?
C86 O29 K5 117.6(10) . . ?
C91 O29 K5 112.4(10) . . ?
C74 O30 C76 111.7(12) . . ?
C74 O30 K5 111.5(10) . . ?
C76 O30 K5 116.7(9) . . ?
C28 N1 C24 110.0(13) . . ?
C28 N1 C62 110.6(12) . . ?
C24 N1 C62 115.0(13) . . ?
C28 N1 K1 107.8(9) . . ?
C24 N1 K1 105.6(8) . . ?
C62 N1 K1 107.5(9) . . ?
C88 N2 C66 113.8(12) . . ?
C88 N2 C51 108.3(14) . . ?
C66 N2 C51 109.0(12) . . ?
C88 N2 K1 111.5(10) . . ?
C66 N2 K1 106.5(8) . . ?
C51 N2 K1 107.5(7) . . ?
C78 N3 C82 110.3(13) . . ?
C78 N3 C57 107.9(13) . . ?
C82 N3 C57 110.5(12) . . ?
C78 N3 K5 110.3(9) . . ?
C82 N3 K5 108.3(10) . . ?
C57 N3 K5 109.7(8) . . ?
C5 N4 C101 110.5(9) . . ?
C5 N4 C15 111.4(10) . . ?
C101 N4 C15 109.2(9) . . ?
C5 N4 K2 109.4(7) . . ?
C101 N4 K2 108.6(6) . . ?
C15 N4 K2 107.6(7) . . ?
C53 N5 C25 113.0(13) . . ?
C53 N5 C63 109.6(13) . . ?
C25 N5 C63 109.2(14) . . ?
C53 N5 K2 108.8(9) . . ?
C25 N5 K2 107.2(8) . . ?
C63 N5 K2 108.9(7) . . ?
C33 N6 C42 111.6(9) . . ?
C33 N6 C9 109.6(10) . . ?
C42 N6 C9 110.0(9) . . ?
C33 N6 K3 109.8(7) . . ?
C42 N6 K3 108.1(6) . . ?
C9 N6 K3 107.6(6) . . ?
C13 N7 C45 110.9(10) . . ?
C13 N7 C21 108.5(9) . . ?
C45 N7 C21 109.7(9) . . ?
C13 N7 K3 110.7(6) . . ?
C45 N7 K3 108.4(6) . . ?
C21 N7 K3 108.6(7) . . ?
C75 N8 C68 113.5(12) . . ?
C75 N8 C67 111.5(12) . . ?
C68 N8 C67 107.9(13) . . ?
C75 N8 K4 110.3(9) . . ?
C68 N8 K4 108.7(8) . . ?
C67 N8 K4 104.5(8) . . ?
C72 N9 C4 111.4(11) . . ?
C72 N9 C34 112.7(12) . . ?
C4 N9 C34 109.1(11) . . ?
C72 N9 K4 110.7(9) . . ?
C4 N9 K4 106.4(7) . . ?
C34 N9 K4 106.1(7) . . ?
C92 N10 C80 108.2(17) . . ?
C92 N10 C87 108.9(19) . . ?
C80 N10 C87 113.3(16) . . ?
C92 N10 K5 109.8(12) . . ?
C80 N10 K5 108.5(13) . . ?
C87 N10 K5 108.1(11) . . ?
C95 N11 C96 101(3) . . ?
C95 N11 C98 125(2) . . ?
C96 N11 C98 134(2) . . ?
C1A N12 C97 110(2) . . ?
C1A N12 C94 129(2) . . ?
C97 N12 C94 121(2) . . ?
O8 C1 C20 109.6(10) . . ?
O8 C1 H1A 109.7 . . ?
C20 C1 H1A 109.7 . . ?
O8 C1 H1B 109.7 . . ?
C20 C1 H1B 109.7 . . ?
H1A C1 H1B 108.2 . . ?
O2 C2 C99 110.9(9) . . ?
O2 C2 H2A 109.5 . . ?
C99 C2 H2A 109.5 . . ?
O2 C2 H2B 109.5 . . ?
C99 C2 H2B 109.5 . . ?
H2A C2 H2B 108.0 . . ?
O1 C3 C102 108.1(9) . . ?
O1 C3 H3A 110.1 . . ?
C102 C3 H3A 110.1 . . ?
O1 C3 H3B 110.1 . . ?
C102 C3 H3B 110.1 . . ?
H3A C3 H3B 108.4 . . ?
N9 C4 C18 114.9(12) . . ?
N9 C4 H4A 108.5 . . ?
C18 C4 H4A 108.5 . . ?
N9 C4 H4B 108.5 . . ?
C18 C4 H4B 108.5 . . ?
H4A C4 H4B 107.5 . . ?
N4 C5 C14 114.1(10) . . ?
N4 C5 H5A 108.7 . . ?
C14 C5 H5A 108.7 . . ?
N4 C5 H5B 108.7 . . ?
C14 C5 H5B 108.7 . . ?
H5A C5 H5B 107.6 . . ?
O8 C6 C42 108.8(9) . . ?
O8 C6 H6A 109.9 . . ?
C42 C6 H6A 109.9 . . ?
O8 C6 H6B 109.9 . . ?
C42 C6 H6B 109.9 . . ?
H6A C6 H6B 108.3 . . ?
O1 C7 C101 109.9(9) . . ?
O1 C7 H7A 109.7 . . ?
C101 C7 H7A 109.7 . . ?
O1 C7 H7B 109.7 . . ?
C101 C7 H7B 109.7 . . ?
H7A C7 H7B 108.2 . . ?
O20 C8 C72 107.9(13) . . ?
O20 C8 H8A 110.1 . . ?
C72 C8 H8A 110.1 . . ?
O20 C8 H8B 110.1 . . ?
C72 C8 H8B 110.1 . . ?
H8A C8 H8B 108.4 . . ?
N6 C9 C100 114.4(10) . . ?
N6 C9 H9A 108.7 . . ?
C100 C9 H9A 108.7 . . ?
N6 C9 H9B 108.7 . . ?
C100 C9 H9B 108.7 . . ?
H9A C9 H9B 107.6 . . ?
O10 C10 C16 110.0(11) . . ?
O10 C10 K1 47.3(5) . . ?
C16 C10 K1 80.3(7) . . ?
O10 C10 H10A 109.7 . . ?
C16 C10 H10A 109.7 . . ?
K1 C10 H10A 87.1 . . ?
O10 C10 H10B 109.7 . . ?
C16 C10 H10B 109.7 . . ?
K1 C10 H10B 156.6 . . ?
H10A C10 H10B 108.2 . . ?
O14 C11 C45 108.7(10) . . ?
O14 C11 H11A 109.9 . . ?
C45 C11 H11A 109.9 . . ?
O14 C11 H11B 109.9 . . ?
C45 C11 H11B 109.9 . . ?
H11A C11 H11B 108.3 . . ?
C71 C12 C41 121.6(18) . . ?
C71 C12 H12 119.2 . . ?
C41 C12 H12 119.2 . . ?
N7 C13 C17 114.4(10) . . ?
N7 C13 H13A 108.7 . . ?
C17 C13 H13A 108.7 . . ?
N7 C13 H13B 108.7 . . ?
C17 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
O6 C14 C5 110.5(10) . . ?
O6 C14 H14A 109.5 . . ?
C5 C14 H14A 109.5 . . ?
O6 C14 H14B 109.5 . . ?
C5 C14 H14B 109.5 . . ?
H14A C14 H14B 108.1 . . ?
C22 C15 N4 115.7(11) . . ?
C22 C15 H15A 108.4 . . ?
N4 C15 H15A 108.4 . . ?
C22 C15 H15B 108.4 . . ?
N4 C15 H15B 108.4 . . ?
H15A C15 H15B 107.4 . . ?
O12 C16 C10 108.5(10) . . ?
O12 C16 H16A 110.0 . . ?
C10 C16 H16A 110.0 . . ?
O12 C16 H16B 110.0 . . ?
C10 C16 H16B 110.0 . . ?
H16A C16 H16B 108.4 . . ?
O2 C17 C13 111.3(9) . . ?
O2 C17 H17A 109.4 . . ?
C13 C17 H17A 109.4 . . ?
O2 C17 H17B 109.4 . . ?
C13 C17 H17B 109.4 . . ?
H17A C17 H17B 108.0 . . ?
O7 C18 C4 109.6(9) . . ?
O7 C18 H18A 109.8 . . ?
C4 C18 H18A 109.8 . . ?
O7 C18 H18B 109.8 . . ?
C4 C18 H18B 109.8 . . ?
H18A C18 H18B 108.2 . . ?
O6 C19 C90 109.5(12) . . ?
O6 C19 H19A 109.8 . . ?
C90 C19 H19A 109.8 . . ?
O6 C19 H19B 109.8 . . ?
C90 C19 H19B 109.8 . . ?
H19A C19 H19B 108.2 . . ?
O14 C20 C1 109.9(11) . . ?
O14 C20 H20A 109.7 . . ?
C1 C20 H20A 109.7 . . ?
O14 C20 H20B 109.7 . . ?
C1 C20 H20B 109.7 . . ?
H20A C20 H20B 108.2 . . ?
C37 C21 N7 114.2(10) . . ?
C37 C21 H21A 108.7 . . ?
N7 C21 H21A 108.7 . . ?
C37 C21 H21B 108.7 . . ?
N7 C21 H21B 108.7 . . ?
H21A C21 H21B 107.6 . . ?
O13 C22 C15 109.2(11) . . ?
O13 C22 H22A 109.8 . . ?
C15 C22 H22A 109.8 . . ?
O13 C22 H22B 109.8 . . ?
C15 C22 H22B 109.8 . . ?
H22A C22 H22B 108.3 . . ?
O7 C23 C84 112.1(13) . . ?
O7 C23 H23A 109.2 . . ?
C84 C23 H23A 109.2 . . ?
O7 C23 H23B 109.2 . . ?
C84 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
C47 C24 N1 115.3(13) . . ?
C47 C24 H24A 108.5 . . ?
N1 C24 H24A 108.5 . . ?
C47 C24 H24B 108.5 . . ?
N1 C24 H24B 108.5 . . ?
H24A C24 H24B 107.5 . . ?
C56 C25 N5 116.0(13) . . ?
C56 C25 H25A 108.3 . . ?
N5 C25 H25A 108.3 . . ?
C56 C25 H25B 108.3 . . ?
N5 C25 H25B 108.3 . . ?
H25A C25 H25B 107.4 . . ?
O18 C26 C29 109.9(11) . . ?
O18 C26 H26A 109.7 . . ?
C29 C26 H26A 109.7 . . ?
O18 C26 H26B 109.7 . . ?
C29 C26 H26B 109.7 . . ?
H26A C26 H26B 108.2 . . ?
O11 C27 C33 110.3(11) . . ?
O11 C27 H27A 109.6 . . ?
C33 C27 H27A 109.6 . . ?
O11 C27 H27B 109.6 . . ?
C33 C27 H27B 109.6 . . ?
H27A C27 H27B 108.1 . . ?
N1 C28 C65 115.9(14) . . ?
N1 C28 H28A 108.3 . . ?
C65 C28 H28A 108.3 . . ?
N1 C28 H28B 108.3 . . ?
C65 C28 H28B 108.3 . . ?
H28A C28 H28B 107.4 . . ?
O15 C29 C26 107.0(11) . . ?
O15 C29 H29A 110.3 . . ?
C26 C29 H29A 110.3 . . ?
O15 C29 H29B 110.3 . . ?
C26 C29 H29B 110.3 . . ?
H29A C29 H29B 108.6 . . ?
C41 C30 C32 123(2) . . ?
C41 C30 C93 118.0(18) . . ?
C32 C30 C93 118.6(18) . . ?
O11 C31 C46 107.9(10) . . ?
O11 C31 H31A 110.1 . . ?
C46 C31 H31A 110.1 . . ?
O11 C31 H31B 110.1 . . ?
C46 C31 H31B 110.1 . . ?
H31A C31 H31B 108.4 . . ?
C30 C32 C54 121.4(19) . . ?
C30 C32 H32 119.3 . . ?
C54 C32 H32 119.3 . . ?
N6 C33 C27 115.7(10) . . ?
N6 C33 H33A 108.3 . . ?
C27 C33 H33A 108.3 . . ?
N6 C33 H33B 108.3 . . ?
C27 C33 H33B 108.3 . . ?
H33A C33 H33B 107.4 . . ?
C35 C34 N9 116.5(12) . . ?
C35 C34 H34A 108.2 . . ?
N9 C34 H34A 108.2 . . ?
C35 C34 H34B 108.2 . . ?
N9 C34 H34B 108.2 . . ?
H34A C34 H34B 107.3 . . ?
O17 C35 C34 109.8(12) . . ?
O17 C35 H35A 109.7 . . ?
C34 C35 H35A 109.7 . . ?
O17 C35 H35B 109.7 . . ?
C34 C35 H35B 109.7 . . ?
H35A C35 H35B 108.2 . . ?
O12 C36 C51 108.4(11) . . ?
O12 C36 H36A 110.0 . . ?
C51 C36 H36A 110.0 . . ?
O12 C36 H36B 110.0 . . ?
C51 C36 H36B 110.0 . . ?
H36A C36 H36B 108.4 . . ?
O5 C37 C21 109.9(10) . . ?
O5 C37 H37A 109.7 . . ?
C21 C37 H37A 109.7 . . ?
O5 C37 H37B 109.7 . . ?
C21 C37 H37B 109.7 . . ?
H37A C37 H37B 108.2 . . ?
O17 C38 C69 111.9(12) . . ?
O17 C38 H38A 109.2 . . ?
C69 C38 H38A 109.2 . . ?
O17 C38 H38B 109.2 . . ?
C69 C38 H38B 109.2 . . ?
H38A C38 H38B 107.9 . . ?
O13 C39 C43 108.2(12) . . ?
O13 C39 H39A 110.1 . . ?
C43 C39 H39A 110.1 . . ?
O13 C39 H39B 110.1 . . ?
C43 C39 H39B 110.1 . . ?
H39A C39 H39B 108.4 . . ?
O27 C40 C57 113.4(13) . . ?
O27 C40 H40A 108.9 . . ?
C57 C40 H40A 108.9 . . ?
O27 C40 H40B 108.9 . . ?
C57 C40 H40B 108.9 . . ?
H40A C40 H40B 107.7 . . ?
C30 C41 C12 117.5(18) . . ?
C30 C41 H41 121.2 . . ?
C12 C41 H41 121.2 . . ?
N6 C42 C6 113.1(9) . . ?
N6 C42 H42A 109.0 . . ?
C6 C42 H42A 109.0 . . ?
N6 C42 H42B 109.0 . . ?
C6 C42 H42B 109.0 . . ?
H42A C42 H42B 107.8 . . ?
O21 C43 C39 110.5(13) . . ?
O21 C43 H43A 109.5 . . ?
C39 C43 H43A 109.5 . . ?
O21 C43 H43B 109.5 . . ?
C39 C43 H43B 109.5 . . ?
H43A C43 H43B 108.1 . . ?
O22 C44 C68 111.9(13) . . ?
O22 C44 H44A 109.2 . . ?
C68 C44 H44A 109.2 . . ?
O22 C44 H44B 109.2 . . ?
C68 C44 H44B 109.2 . . ?
H44A C44 H44B 107.9 . . ?
N7 C45 C11 114.1(10) . . ?
N7 C45 H45A 108.7 . . ?
C11 C45 H45A 108.7 . . ?
N7 C45 H45B 108.7 . . ?
C11 C45 H45B 108.7 . . ?
H45A C45 H45B 107.6 . . ?
O5 C46 C31 111.1(10) . . ?
O5 C46 H46A 109.4 . . ?
C31 C46 H46A 109.4 . . ?
O5 C46 H46B 109.4 . . ?
C31 C46 H46B 109.4 . . ?
H46A C46 H46B 108.0 . . ?
C24 C47 O10 110.0(11) . . ?
C24 C47 H47A 109.7 . . ?
O10 C47 H47A 109.7 . . ?
C24 C47 H47B 109.7 . . ?
O10 C47 H47B 109.7 . . ?
H47A C47 H47B 108.2 . . ?
O27 C50 C74 110.1(13) . . ?
O27 C50 H50A 109.6 . . ?
C74 C50 H50A 109.6 . . ?
O27 C50 H50B 109.6 . . ?
C74 C50 H50B 109.6 . . ?
H50A C50 H50B 108.2 . . ?
C36 C51 N2 114.4(12) . . ?
C36 C51 H51A 108.7 . . ?
N2 C51 H51A 108.7 . . ?
C36 C51 H51B 108.7 . . ?
N2 C51 H51B 108.7 . . ?
H51A C51 H51B 107.6 . . ?
O9 C52 C63 107.6(12) . . ?
O9 C52 H52A 110.2 . . ?
C63 C52 H52A 110.2 . . ?
O9 C52 H52B 110.2 . . ?
C63 C52 H52B 110.2 . . ?
H52A C52 H52B 108.5 . . ?
N5 C53 C73 115.2(14) . . ?
N5 C53 H53A 108.5 . . ?
C73 C53 H53A 108.5 . . ?
N5 C53 H53B 108.5 . . ?
C73 C53 H53B 108.5 . . ?
H53A C53 H53B 107.5 . . ?
C32 C54 C71 117.3(17) . . ?
C32 C54 H54 121.3 . . ?
C71 C54 H54 121.3 . . ?
O25 C55 C66 111.2(11) . . ?
O25 C55 H55A 109.4 . . ?
C66 C55 H55A 109.4 . . ?
O25 C55 H55B 109.4 . . ?
C66 C55 H55B 109.4 . . ?
H55A C55 H55B 108.0 . . ?
C25 C56 O4 112.1(14) . . ?
C25 C56 H56A 109.2 . . ?
O4 C56 H56A 109.2 . . ?
C25 C56 H56B 109.2 . . ?
O4 C56 H56B 109.2 . . ?
H56A C56 H56B 107.9 . . ?
C40 C57 N3 112.0(12) . . ?
C40 C57 H57A 109.2 . . ?
N3 C57 H57A 109.2 . . ?
C40 C57 H57B 109.2 . . ?
N3 C57 H57B 109.2 . . ?
H57A C57 H57B 107.9 . . ?
O19 C58 C67 108.6(13) . . ?
O19 C58 H58A 110.0 . . ?
C67 C58 H58A 110.0 . . ?
O19 C58 H58B 110.0 . . ?
C67 C58 H58B 110.0 . . ?
H58A C58 H58B 108.3 . . ?
O26 C59 C62 112.4(16) . . ?
O26 C59 H59A 109.1 . . ?
C62 C59 H59A 109.1 . . ?
O26 C59 H59B 109.1 . . ?
C62 C59 H59B 109.1 . . ?
H59A C59 H59B 107.9 . . ?
O26 C60 C64 113.7(14) . . ?
O26 C60 K1 65.8(8) . . ?
C64 C60 K1 88.5(8) . . ?
O26 C60 H60A 108.8 . . ?
C64 C60 H60A 108.8 . . ?
K1 C60 H60A 162.2 . . ?
O26 C60 H60B 108.8 . . ?
C64 C60 H60B 108.8 . . ?
K1 C60 H60B 61.2 . . ?
H60A C60 H60B 107.7 . . ?
O15 C61 C87 108.0(16) . . ?
O15 C61 H61A 110.1 . . ?
C87 C61 H61A 110.1 . . ?
O15 C61 H61B 110.1 . . ?
C87 C61 H61B 110.1 . . ?
H61A C61 H61B 108.4 . . ?
C59 C62 N1 115.3(13) . . ?
C59 C62 H62A 108.5 . . ?
N1 C62 H62A 108.5 . . ?
C59 C62 H62B 108.5 . . ?
N1 C62 H62B 108.5 . . ?
H62A C62 H62B 107.5 . . ?
N5 C63 C52 114.2(14) . . ?
N5 C63 H63A 108.7 . . ?
C52 C63 H63A 108.7 . . ?
N5 C63 H63B 108.7 . . ?
C52 C63 H63B 108.7 . . ?
H63A C63 H63B 107.6 . . ?
O25 C64 C60 106.8(12) . . ?
O25 C64 H64A 110.4 . . ?
C60 C64 H64A 110.4 . . ?
O25 C64 H64B 110.4 . . ?
C60 C64 H64B 110.4 . . ?
H64A C64 H64B 108.6 . . ?
O23 C65 C28 108.8(12) . . ?
O23 C65 H65A 109.9 . . ?
C28 C65 H65A 109.9 . . ?
O23 C65 H65B 109.9 . . ?
C28 C65 H65B 109.9 . . ?
H65A C65 H65B 108.3 . . ?
N2 C66 C55 113.1(14) . . ?
N2 C66 H66A 109.0 . . ?
C55 C66 H66A 109.0 . . ?
N2 C66 H66B 109.0 . . ?
C55 C66 H66B 109.0 . . ?
H66A C66 H66B 107.8 . . ?
C58 C67 N8 116.1(13) . . ?
C58 C67 H67A 108.3 . . ?
N8 C67 H67A 108.3 . . ?
C58 C67 H67B 108.3 . . ?
N8 C67 H67B 108.3 . . ?
H67A C67 H67B 107.4 . . ?
C44 C68 N8 113.7(14) . . ?
C44 C68 H68A 108.8 . . ?
N8 C68 H68A 108.8 . . ?
C44 C68 H68B 108.8 . . ?
N8 C68 H68B 108.8 . . ?
H68A C68 H68B 107.7 . . ?
O16 C69 C38 110.1(11) . . ?
O16 C69 H69A 109.6 . . ?
C38 C69 H69A 109.6 . . ?
O16 C69 H69B 109.6 . . ?
C38 C69 H69B 109.6 . . ?
H69A C69 H69B 108.1 . . ?
O24 C70 C79 106.9(18) . . ?
O24 C70 H70A 110.3 . . ?
C79 C70 H70A 110.3 . . ?
O24 C70 H70B 110.3 . . ?
C79 C70 H70B 110.3 . . ?
H70A C70 H70B 108.6 . . ?
C12 C71 C54 119(2) . . ?
C12 C71 H71 120.7 . . ?
C54 C71 H71 120.7 . . ?
N9 C72 C8 113.6(13) . . ?
N9 C72 H72A 108.8 . . ?
C8 C72 H72A 108.8 . . ?
N9 C72 H72B 108.8 . . ?
C8 C72 H72B 108.8 . . ?
H72A C72 H72B 107.7 . . ?
O21 C73 C53 110.4(14) . . ?
O21 C73 H73A 109.6 . . ?
C53 C73 H73A 109.6 . . ?
O21 C73 H73B 109.6 . . ?
C53 C73 H73B 109.6 . . ?
H73A C73 H73B 108.1 . . ?
O30 C74 C50 108.5(14) . . ?
O30 C74 H74A 110.0 . . ?
C50 C74 H74A 110.0 . . ?
O30 C74 H74B 110.0 . . ?
C50 C74 H74B 110.0 . . ?
H74A C74 H74B 108.4 . . ?
N8 C75 C85 113.7(12) . . ?
N8 C75 H75A 108.8 . . ?
C85 C75 H75A 108.8 . . ?
N8 C75 H75B 108.8 . . ?
C85 C75 H75B 108.8 . . ?
H75A C75 H75B 107.7 . . ?
C92 C76 O30 112.5(14) . . ?
C92 C76 H76A 109.1 . . ?
O30 C76 H76A 109.1 . . ?
C92 C76 H76B 109.1 . . ?
O30 C76 H76B 109.1 . . ?
H76A C76 H76B 107.8 . . ?
O24 C77 C88 107.9(15) . . ?
O24 C77 H77A 110.1 . . ?
C88 C77 H77A 110.1 . . ?
O24 C77 H77B 110.1 . . ?
C88 C77 H77B 110.1 . . ?
H77A C77 H77B 108.4 . . ?
N3 C78 C83 114.4(15) . . ?
N3 C78 H78A 108.7 . . ?
C83 C78 H78A 108.7 . . ?
N3 C78 H78B 108.7 . . ?
C83 C78 H78B 108.7 . . ?
H78A C78 H78B 107.6 . . ?
O23 C79 C70 109.9(15) . . ?
O23 C79 H79A 109.7 . . ?
C70 C79 H79A 109.7 . . ?
O23 C79 H79B 109.7 . . ?
C70 C79 H79B 109.7 . . ?
H79A C79 H79B 108.2 . . ?
N10 C80 C81 112.8(18) . . ?
N10 C80 H80A 109.0 . . ?
C81 C80 H80A 109.0 . . ?
N10 C80 H80B 109.0 . . ?
C81 C80 H80B 109.0 . . ?
H80A C80 H80B 107.8 . . ?
C80 C81 O28 108.6(16) . . ?
C80 C81 H81A 110.0 . . ?
O28 C81 H81A 110.0 . . ?
C80 C81 H81B 110.0 . . ?
O28 C81 H81B 110.0 . . ?
H81A C81 H81B 108.4 . . ?
N3 C82 C86 115.4(14) . . ?
N3 C82 H82A 108.4 . . ?
C86 C82 H82A 108.4 . . ?
N3 C82 H82B 108.4 . . ?
C86 C82 H82B 108.4 . . ?
H82A C82 H82B 107.5 . . ?
O18 C83 C78 110.4(13) . . ?
O18 C83 H83A 109.6 . . ?
C78 C83 H83A 109.6 . . ?
O18 C83 H83B 109.6 . . ?
C78 C83 H83B 109.6 . . ?
H83A C83 H83B 108.1 . . ?
C23 C84 O22 109.4(12) . . ?
C23 C84 H84A 109.8 . . ?
O22 C84 H84A 109.8 . . ?
C23 C84 H84B 109.8 . . ?
O22 C84 H84B 109.8 . . ?
H84A C84 H84B 108.3 . . ?
O16 C85 C75 113.4(11) . . ?
O16 C85 H85A 108.9 . . ?
C75 C85 H85A 108.9 . . ?
O16 C85 H85B 108.9 . . ?
C75 C85 H85B 108.9 . . ?
H85A C85 H85B 107.7 . . ?
O29 C86 C82 110.4(13) . . ?
O29 C86 H86A 109.6 . . ?
C82 C86 H86A 109.6 . . ?
O29 C86 H86B 109.6 . . ?
C82 C86 H86B 109.6 . . ?
H86A C86 H86B 108.1 . . ?
N10 C87 C61 114.2(17) . . ?
N10 C87 H87A 108.7 . . ?
C61 C87 H87A 108.7 . . ?
N10 C87 H87B 108.7 . . ?
C61 C87 H87B 108.7 . . ?
H87A C87 H87B 107.6 . . ?
N2 C88 C77 114.4(12) . . ?
N2 C88 H88A 108.7 . . ?
C77 C88 H88A 108.7 . . ?
N2 C88 H88B 108.7 . . ?
C77 C88 H88B 108.7 . . ?
H88A C88 H88B 107.6 . . ?
O28 C89 C91 112.6(15) . . ?
O28 C89 H89A 109.1 . . ?
C91 C89 H89A 109.1 . . ?
O28 C89 H89B 109.1 . . ?
C91 C89 H89B 109.1 . . ?
H89A C89 H89B 107.8 . . ?
O4 C90 C19 110.4(11) . . ?
O4 C90 H90A 109.6 . . ?
C19 C90 H90A 109.6 . . ?
O4 C90 H90B 109.6 . . ?
C19 C90 H90B 109.6 . . ?
H90A C90 H90B 108.1 . . ?
O29 C91 C89 106.2(15) . . ?
O29 C91 H91A 110.5 . . ?
C89 C91 H91A 110.5 . . ?
O29 C91 H91B 110.5 . . ?
C89 C91 H91B 110.5 . . ?
H91A C91 H91B 108.7 . . ?
N10 C92 C76 116(2) . . ?
N10 C92 H92A 108.2 . . ?
C76 C92 H92A 108.2 . . ?
N10 C92 H92B 108.2 . . ?
C76 C92 H92B 108.2 . . ?
H92A C92 H92B 107.4 . . ?
C30 C93 H93A 109.5 . . ?
C30 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C30 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
N12 C94 H94A 109.5 . . ?
N12 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
N12 C94 H94C 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
N11 C96 H96A 109.5 . . ?
N11 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
N11 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
N12 C97 H97A 109.5 . . ?
N12 C97 H97B 109.5 . . ?
H97A C97 H97B 109.5 . . ?
N12 C97 H97C 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
N11 C98 H98A 109.5 . . ?
N11 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
N11 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
O3 C99 C2 110.8(9) . . ?
O3 C99 H99A 109.5 . . ?
C2 C99 H99A 109.5 . . ?
O3 C99 H99B 109.5 . . ?
C2 C99 H99B 109.5 . . ?
H99A C99 H99B 108.1 . . ?
O3 C100 C9 111.3(9) . . ?
O3 C100 H10G 109.4 . . ?
C9 C100 H10G 109.4 . . ?
O3 C100 H10H 109.4 . . ?
C9 C100 H10H 109.4 . . ?
H10G C100 H10H 108.0 . . ?
N4 C101 C7 113.9(10) . . ?
N4 C101 H10C 108.8 . . ?
C7 C101 H10C 108.8 . . ?
N4 C101 H10D 108.8 . . ?
C7 C101 H10D 108.8 . . ?
H10C C101 H10D 107.7 . . ?
O9 C102 C3 109.6(9) . . ?
O9 C102 H10E 109.8 . . ?
C3 C102 H10E 109.8 . . ?
O9 C102 H10F 109.8 . . ?
C3 C102 H10F 109.8 . . ?
H10E C102 H10F 108.2 . . ?
C3 O1 C7 112.5(8) . . ?
C3 O1 K2 114.1(6) . . ?
C7 O1 K2 118.3(6) . . ?
O20 C105 C104 109.4(13) . . ?
O20 C105 H10I 109.8 . . ?
C104 C105 H10I 109.8 . . ?
O20 C105 H10J 109.8 . . ?
C104 C105 H10J 109.8 . . ?
H10I C105 H10J 108.2 . . ?
O19 C104 C105 110.2(13) . . ?
O19 C104 H10K 109.6 . . ?
C105 C104 H10K 109.6 . . ?
O19 C104 H10L 109.6 . . ?
C105 C104 H10L 109.6 . . ?
H10K C104 H10L 108.1 . . ?
N12 C1A O31 116(2) . . ?
N12 C1A H1AA 122.0 . . ?
O31 C1A H1AA 122.0 . . ?
N11 C95 O32 110(2) . . ?
N11 C95 H95 125.1 . . ?
O32 C95 H95 125.1 . . ?

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
C6 O8 C1 C20 -179.5(10) . . . . ?
K3 O8 C1 C20 -48.0(11) . . . . ?
C17 O2 C2 C99 179.8(9) . . . . ?
K3 O2 C2 C99 -44.8(11) . . . . ?
C72 N9 C4 C18 69.6(16) . . . . ?
C34 N9 C4 C18 -165.3(11) . . . . ?
K4 N9 C4 C18 -51.2(13) . . . . ?
C101 N4 C5 C14 -161.0(10) . . . . ?
C15 N4 C5 C14 77.3(13) . . . . ?
K2 N4 C5 C14 -41.5(12) . . . . ?
C1 O8 C6 C42 -176.0(10) . . . . ?
K3 O8 C6 C42 53.5(11) . . . . ?
C105 O20 C8 C72 179.3(13) . . . . ?
K4 O20 C8 C72 -55.6(14) . . . . ?
C33 N6 C9 C100 164.6(10) . . . . ?
C42 N6 C9 C100 -72.3(12) . . . . ?
K3 N6 C9 C100 45.2(12) . . . . ?
C47 O10 C10 C16 -175.4(11) . . . . ?
K1 O10 C10 C16 54.5(12) . . . . ?
C47 O10 C10 K1 130.1(12) . . . . ?
C20 O14 C11 C45 -179.3(10) . . . . ?
K3 O14 C11 C45 45.3(11) . . . . ?
C45 N7 C13 C17 162.3(10) . . . . ?
C21 N7 C13 C17 -77.1(12) . . . . ?
K3 N7 C13 C17 42.0(11) . . . . ?
C19 O6 C14 C5 174.8(10) . . . . ?
K2 O6 C14 C5 -50.2(12) . . . . ?
N4 C5 C14 O6 63.4(14) . . . . ?
C5 N4 C15 C22 -164.2(11) . . . . ?
C101 N4 C15 C22 73.4(13) . . . . ?
K2 N4 C15 C22 -44.3(12) . . . . ?
C36 O12 C16 C10 -178.5(11) . . . . ?
K1 O12 C16 C10 43.1(12) . . . . ?
O10 C10 C16 O12 -66.7(13) . . . . ?
K1 C10 C16 O12 -29.3(8) . . . . ?
C2 O2 C17 C13 -177.6(10) . . . . ?
K3 O2 C17 C13 47.3(11) . . . . ?
N7 C13 C17 O2 -61.6(13) . . . . ?
C23 O7 C18 C4 174.3(11) . . . . ?
K4 O7 C18 C4 -41.3(13) . . . . ?
N9 C4 C18 O7 65.3(15) . . . . ?
C14 O6 C19 C90 -179.5(11) . . . . ?
K2 O6 C19 C90 44.7(12) . . . . ?
C11 O14 C20 C1 173.3(10) . . . . ?
K3 O14 C20 C1 -49.3(12) . . . . ?
O8 C1 C20 O14 66.0(13) . . . . ?
C13 N7 C21 C37 166.4(10) . . . . ?
C45 N7 C21 C37 -72.4(13) . . . . ?
K3 N7 C21 C37 46.0(12) . . . . ?
C39 O13 C22 C15 177.2(11) . . . . ?
K2 O13 C22 C15 -50.8(12) . . . . ?
N4 C15 C22 O13 66.7(14) . . . . ?
C18 O7 C23 C84 -178.9(12) . . . . ?
K4 O7 C23 C84 37.8(16) . . . . ?
C28 N1 C24 C47 75.3(16) . . . . ?
C62 N1 C24 C47 -159.2(13) . . . . ?
K1 N1 C24 C47 -40.8(15) . . . . ?
C53 N5 C25 C56 -163.5(15) . . . . ?
C63 N5 C25 C56 74.3(17) . . . . ?
K2 N5 C25 C56 -43.5(17) . . . . ?
C83 O18 C26 C29 170.4(12) . . . . ?
K5 O18 C26 C29 -52.0(12) . . . . ?
C31 O11 C27 C33 -174.8(10) . . . . ?
K3 O11 C27 C33 45.4(13) . . . . ?
C24 N1 C28 C65 -159.8(13) . . . . ?
C62 N1 C28 C65 72.1(17) . . . . ?
K1 N1 C28 C65 -45.1(15) . . . . ?
C61 O15 C29 C26 171.4(13) . . . . ?
K5 O15 C29 C26 -48.1(13) . . . . ?
O18 C26 C29 O15 66.7(14) . . . . ?
C27 O11 C31 C46 176.2(11) . . . . ?
K3 O11 C31 C46 -42.8(12) . . . . ?
C41 C30 C32 C54 -1(3) . . . . ?
C93 C30 C32 C54 176.8(16) . . . . ?
C42 N6 C33 C27 161.7(11) . . . . ?
C9 N6 C33 C27 -76.1(14) . . . . ?
K3 N6 C33 C27 41.9(13) . . . . ?
O11 C27 C33 N6 -59.9(15) . . . . ?
C72 N9 C34 C35 -170.9(13) . . . . ?
C4 N9 C34 C35 64.7(16) . . . . ?
K4 N9 C34 C35 -49.5(14) . . . . ?
C38 O17 C35 C34 172.9(11) . . . . ?
K4 O17 C35 C34 -27.6(15) . . . . ?
N9 C34 C35 O17 53.0(17) . . . . ?
C16 O12 C36 C51 169.9(11) . . . . ?
K1 O12 C36 C51 -52.9(13) . . . . ?
C46 O5 C37 C21 177.6(10) . . . . ?
K3 O5 C37 C21 46.9(12) . . . . ?
N7 C21 C37 O5 -64.4(14) . . . . ?
C35 O17 C38 C69 -162.5(12) . . . . ?
K4 O17 C38 C69 36.4(14) . . . . ?
C22 O13 C39 C43 -178.1(13) . . . . ?
K2 O13 C39 C43 49.3(14) . . . . ?
C50 O27 C40 C57 -173.8(13) . . . . ?
K5 O27 C40 C57 43.2(16) . . . . ?
C32 C30 C41 C12 0(3) . . . . ?
C93 C30 C41 C12 -178.2(15) . . . . ?
C71 C12 C41 C30 3(3) . . . . ?
C33 N6 C42 C6 -75.1(12) . . . . ?
C9 N6 C42 C6 163.0(10) . . . . ?
K3 N6 C42 C6 45.8(11) . . . . ?
O8 C6 C42 N6 -69.1(13) . . . . ?
C73 O21 C43 C39 -172.2(13) . . . . ?
K2 O21 C43 C39 45.6(15) . . . . ?
O13 C39 C43 O21 -62.5(16) . . . . ?
C84 O22 C44 C68 -173.4(14) . . . . ?
K4 O22 C44 C68 -41.9(19) . . . . ?
C13 N7 C45 C11 -73.7(12) . . . . ?
C21 N7 C45 C11 166.4(10) . . . . ?
K3 N7 C45 C11 48.0(11) . . . . ?
O14 C11 C45 N7 -64.1(13) . . . . ?
C37 O5 C46 C31 173.1(11) . . . . ?
K3 O5 C46 C31 -54.3(12) . . . . ?
O11 C31 C46 O5 65.1(13) . . . . ?
N1 C24 C47 O10 67.6(17) . . . . ?
C10 O10 C47 C24 175.6(12) . . . . ?
K1 O10 C47 C24 -56.5(14) . . . . ?
C40 O27 C50 C74 177.1(13) . . . . ?
K5 O27 C50 C74 -40.3(15) . . . . ?
O12 C36 C51 N2 64.4(15) . . . . ?
C88 N2 C51 C36 -162.1(12) . . . . ?
C66 N2 C51 C36 73.7(14) . . . . ?
K1 N2 C51 C36 -41.4(13) . . . . ?
C102 O9 C52 C63 175.3(13) . . . . ?
K2 O9 C52 C63 -54.0(16) . . . . ?
C25 N5 C53 C73 74.4(17) . . . . ?
C63 N5 C53 C73 -163.6(14) . . . . ?
K2 N5 C53 C73 -44.6(16) . . . . ?
C30 C32 C54 C71 0(2) . . . . ?
C64 O25 C55 C66 167.5(15) . . . . ?
K1 O25 C55 C66 -27(2) . . . . ?
N5 C25 C56 O4 66(2) . . . . ?
C90 O4 C56 C25 179.6(13) . . . . ?
K2 O4 C56 C25 -49.9(16) . . . . ?
O27 C40 C57 N3 -59.8(19) . . . . ?
C78 N3 C57 C40 -76.4(17) . . . . ?
C82 N3 C57 C40 163.0(15) . . . . ?
K5 N3 C57 C40 43.7(16) . . . . ?
C104 O19 C58 C67 -178.9(12) . . . . ?
K4 O19 C58 C67 -24.1(18) . . . . ?
C60 O26 C59 C62 70.5(19) . . . . ?
K1 O26 C59 C62 -36.3(17) . . . . ?
C59 O26 C60 C64 160.5(15) . . . . ?
K1 O26 C60 C64 -76.8(14) . . . . ?
C59 O26 C60 K1 -122.7(15) . . . . ?
C29 O15 C61 C87 -177.3(15) . . . . ?
K5 O15 C61 C87 45(2) . . . . ?
O26 C59 C62 N1 62(2) . . . . ?
C28 N1 C62 C59 -168.6(15) . . . . ?
C24 N1 C62 C59 66.1(19) . . . . ?
K1 N1 C62 C59 -51.2(18) . . . . ?
C53 N5 C63 C52 75.0(16) . . . . ?
C25 N5 C63 C52 -160.7(14) . . . . ?
K2 N5 C63 C52 -43.9(17) . . . . ?
O9 C52 C63 N5 67.6(19) . . . . ?
C55 O25 C64 C60 173.3(14) . . . . ?
K1 O25 C64 C60 6.9(17) . . . . ?
O26 C60 C64 O25 58(2) . . . . ?
K1 C60 C64 O25 -5.0(12) . . . . ?
C79 O23 C65 C28 176.5(16) . . . . ?
K1 O23 C65 C28 -49.4(16) . . . . ?
N1 C28 C65 O23 66.4(19) . . . . ?
C88 N2 C66 C55 70.6(18) . . . . ?
C51 N2 C66 C55 -168.3(13) . . . . ?
K1 N2 C66 C55 -52.6(14) . . . . ?
O25 C55 C66 N2 55.2(19) . . . . ?
O19 C58 C67 N8 53.9(18) . . . . ?
C75 N8 C67 C58 -172.8(13) . . . . ?
C68 N8 C67 C58 61.8(17) . . . . ?
K4 N8 C67 C58 -53.7(15) . . . . ?
O22 C44 C68 N8 65(2) . . . . ?
C75 N8 C68 C44 72.4(17) . . . . ?
C67 N8 C68 C44 -163.5(15) . . . . ?
K4 N8 C68 C44 -50.7(17) . . . . ?
C85 O16 C69 C38 -179.0(12) . . . . ?
K4 O16 C69 C38 54.5(12) . . . . ?
O17 C38 C69 O16 -62.3(15) . . . . ?
C77 O24 C70 C79 -178.6(15) . . . . ?
K1 O24 C70 C79 48(2) . . . . ?
C41 C12 C71 C54 -5(3) . . . . ?
C32 C54 C71 C12 4(2) . . . . ?
C4 N9 C72 C8 -162.1(14) . . . . ?
C34 N9 C72 C8 74.8(18) . . . . ?
K4 N9 C72 C8 -43.9(17) . . . . ?
O20 C8 C72 N9 69.1(19) . . . . ?
C43 O21 C73 C53 172.5(14) . . . . ?
K2 O21 C73 C53 -45.1(17) . . . . ?
N5 C53 C73 O21 62(2) . . . . ?
C76 O30 C74 C50 174.0(13) . . . . ?
K5 O30 C74 C50 -53.5(14) . . . . ?
O27 C50 C74 O30 63.2(16) . . . . ?
C68 N8 C75 C85 -163.3(12) . . . . ?
C67 N8 C75 C85 74.6(16) . . . . ?
K4 N8 C75 C85 -41.1(14) . . . . ?
C74 O30 C76 C92 169.6(17) . . . . ?
K5 O30 C76 C92 40(2) . . . . ?
C70 O24 C77 C88 171.4(15) . . . . ?
K1 O24 C77 C88 -54.9(16) . . . . ?
C82 N3 C78 C83 -70.5(18) . . . . ?
C57 N3 C78 C83 168.8(14) . . . . ?
K5 N3 C78 C83 49.0(16) . . . . ?
C65 O23 C79 C70 -175.8(17) . . . . ?
K1 O23 C79 C70 50(2) . . . . ?
O24 C70 C79 O23 -65(2) . . . . ?
C92 N10 C80 C81 167.0(18) . . . . ?
C87 N10 C80 C81 -72(2) . . . . ?
K5 N10 C80 C81 47.9(19) . . . . ?
N10 C80 C81 O28 -70(2) . . . . ?
C89 O28 C81 C80 -176.4(15) . . . . ?
K5 O28 C81 C80 52.7(18) . . . . ?
C78 N3 C82 C86 169.6(14) . . . . ?
C57 N3 C82 C86 -71.3(18) . . . . ?
K5 N3 C82 C86 48.9(16) . . . . ?
C26 O18 C83 C78 177.2(12) . . . . ?
K5 O18 C83 C78 40.7(17) . . . . ?
N3 C78 C83 O18 -62.2(19) . . . . ?
O7 C23 C84 O22 -58.1(16) . . . . ?
C44 O22 C84 C23 -176.7(13) . . . . ?
K4 O22 C84 C23 50.8(14) . . . . ?
C69 O16 C85 C75 -172.6(12) . . . . ?
K4 O16 C85 C75 -48.4(15) . . . . ?
N8 C75 C85 O16 63.0(18) . . . . ?
C91 O29 C86 C82 168.1(14) . . . . ?
K5 O29 C86 C82 38.1(17) . . . . ?
N3 C82 C86 O29 -61(2) . . . . ?
C92 N10 C87 C61 -70(2) . . . . ?
C80 N10 C87 C61 169.1(19) . . . . ?
K5 N10 C87 C61 49(2) . . . . ?
O15 C61 C87 N10 -64(2) . . . . ?
C66 N2 C88 C77 -157.6(16) . . . . ?
C51 N2 C88 C77 81.0(19) . . . . ?
K1 N2 C88 C77 -37(2) . . . . ?
O24 C77 C88 N2 62(2) . . . . ?
C81 O28 C89 C91 -176.9(14) . . . . ?
K5 O28 C89 C91 -45.0(16) . . . . ?
C56 O4 C90 C19 -177.4(12) . . . . ?
K2 O4 C90 C19 51.2(14) . . . . ?
O6 C19 C90 O4 -65.2(15) . . . . ?
C86 O29 C91 C89 172.8(15) . . . . ?
K5 O29 C91 C89 -54.5(17) . . . . ?
O28 C89 C91 O29 68.7(18) . . . . ?
C80 N10 C92 C76 -71(2) . . . . ?
C87 N10 C92 C76 165.0(16) . . . . ?
K5 N10 C92 C76 47(2) . . . . ?
O30 C76 C92 N10 -61(2) . . . . ?
C100 O3 C99 C2 178.1(9) . . . . ?
K3 O3 C99 C2 -45.1(11) . . . . ?
O2 C2 C99 O3 59.9(13) . . . . ?
C99 O3 C100 C9 -175.8(10) . . . . ?
K3 O3 C100 C9 47.5(11) . . . . ?
N6 C9 C100 O3 -65.0(14) . . . . ?
C5 N4 C101 C7 72.9(12) . . . . ?
C15 N4 C101 C7 -164.2(10) . . . . ?
K2 N4 C101 C7 -47.1(11) . . . . ?
O1 C7 C101 N4 63.3(13) . . . . ?
C52 O9 C102 C3 -179.1(12) . . . . ?
K2 O9 C102 C3 49.1(11) . . . . ?
O1 C3 C102 O9 -68.8(12) . . . . ?
C102 C3 O1 C7 -169.5(9) . . . . ?
C102 C3 O1 K2 52.2(10) . . . . ?
C101 C7 O1 C3 178.8(10) . . . . ?
C101 C7 O1 K2 -44.8(12) . . . . ?
C8 O20 C105 C104 176.4(13) . . . . ?
K4 O20 C105 C104 50.4(14) . . . . ?
C58 O19 C104 C105 -157.7(13) . . . . ?
K4 O19 C104 C105 44.9(15) . . . . ?
O20 C105 C104 O19 -64.2(17) . . . . ?
C97 N12 C1A O31 180.0(19) . . . . ?
C94 N12 C1A O31 -6(3) . . . . ?
C96 N11 C95 O32 -162.5(19) . . . . ?
C98 N11 C95 O32 15(4) . . . . ?

_refine_diff_density_max         2.474
_refine_diff_density_min         -1.647
_refine_diff_density_rms         0.226

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1847077'
loop_
_audit_author_name
_audit_author_address
'Liu Chao'
;CIAC
China
;
_audit_update_record             
;
2018-06-02 deposited with the CCDC.	2019-03-11 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT415_1                   
; 
PROBLEM: Short Inter D-H..H-X       H3B      ..H7AB             1.94 Ang.      
RESPONSE: This alert is generated because the en molecule is close
to the [2.2.2]-crypt.
;
# end Validation Reply Form
_audit_creation_date             2018-05-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.18 svn.r3508 for OlexSys, GUI svn.r5497)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Rh Sn10, 3(C18 H36 K N2 O6), C2 H8 N2'
_chemical_formula_sum            'C56 H115 K3 N8 O18 Rh Sn10'
_chemical_formula_weight         2595.66
_chemical_melting_point          ?
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'
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'
Rh Rh -1.1178 0.9187 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.142(3)
_cell_length_b                   15.879(4)
_cell_length_c                   19.180(5)
_cell_angle_alpha                81.348(5)
_cell_angle_beta                 87.147(4)
_cell_angle_gamma                74.041(5)
_cell_volume                     4383.2(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4306
_cell_measurement_temperature    120
_cell_measurement_theta_max      25.224
_cell_measurement_theta_min      2.189
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.180
_exptl_absorpt_correction_T_max  0.385
_exptl_absorpt_correction_T_min  0.237
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark black'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.967
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2506
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.1065
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            15012
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        25.068
_diffrn_reflns_theta_max         25.068
_diffrn_reflns_theta_min         1.348
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10615
_reflns_number_total             15012
_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         2.134
_refine_diff_density_min         -1.851
_refine_diff_density_rms         0.271
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     894
_refine_ls_number_reflns         15012
_refine_ls_number_restraints     1263
_refine_ls_R_factor_all          0.1032
_refine_ls_R_factor_gt           0.0707
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0932P)²+31.8595P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1831
_refine_ls_wR_factor_ref         0.2052
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.766(2)
 0.234(2)
2. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All N(H,H) groups
3. Uiso/Uaniso restraints and constraints
Uanis(C7BA) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(Sn9')=Sof(Sn1')=Sof(Sn3')=1-FVAR(1)
 Sof(Sn3)=Sof(Sn9)=Sof(Sn10)=FVAR(1)
6.a Secondary CH2 refined with riding coordinates:
 C1AA(H1AA,H1AB), C1BA(H1BA,H1BB), C2AA(H2AA,H2AB), C2BA(H2BA,H2BB), C3BA(H3BA,
 H3BB), C4AA(H4AA,H4AB), C6AA(H6AA,H6AB), C6BA(H6BA,H6BB), C7BA(H7BA,H7BB),
 C9AA(H9AA,H9AB), C21(H21A,H21B), C24(H24A,H24B), C28(H28A,H28B), C29(H29A,
 H29B), C31(H31A,H31B), C47(H47A,H47B), C49(H49A,H49B), C52(H52A,H52B),
 C4BA(H4BA,H4BB), C5AA(H5AA,H5AB), C5BA(H5BA,H5BB), C7AA(H7AA,H7AB), C8AA(H8AA,
 H8AB), C8BA(H8BA,H8BB), C25(H25A,H25B), C30(H30A,H30B), C32(H32A,H32B),
 C38(H38A,H38B), C40(H40A,H40B), C41(H41A,H41B), C42(H42A,H42B), C46(H46A,H46B),
  C54(H54A,H54B), C55(H55A,H55B), C56(H56A,H56B), C57(H57A,H57B), C0AA(H0AA,
 H0AB), C0BA(H0BA,H0BB), C3AA(H3AA,H3AB), C22(H22A,H22B), C23(H23A,H23B),
 C26(H26A,H26B), C27(H27A,H27B), C33(H33A,H33B), C34(H34A,H34B), C35(H35A,H35B),
  C36(H36A,H36B), C37(H37A,H37B), C39(H39A,H39B), C44(H44A,H44B), C48(H48A,
 H48B), C51(H51A,H51B), C53(H53A,H53B), C58(H58A,H58B), C9BA(H9BA,H9BB),
 C43(H43A,H43B)
6.b X=CH2 refined with riding coordinates:
 N2(H2A,H2B), N3(H3A,H3B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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
Sn6 Sn 0.71778(7) 0.72156(7) 0.11353(5) 0.0250(2) Uani 1 1 d . U . . .
Sn3 Sn 0.9350(2) 0.6711(3) 0.3003(2) 0.0419(11) Uani 0.651(11) 1 d . U P A 1
Sn5 Sn 0.60065(6) 0.76190(8) 0.24641(5) 0.0344(3) Uani 1 1 d . U . . .
Sn8 Sn 0.87626(7) 0.84046(7) 0.13403(5) 0.0321(3) Uani 1 1 d . U . . .
Sn4 Sn 0.74137(8) 0.72513(7) 0.37033(5) 0.0356(3) Uani 1 1 d . U . . .
Sn1 Sn 0.76101(9) 0.59748(6) 0.25888(5) 0.0377(3) Uani 1 1 d . U . . .
Sn2 Sn 0.91425(7) 0.64884(7) 0.15454(6) 0.0327(3) Uani 1 1 d . U . . .
Sn7 Sn 0.67276(7) 0.90747(7) 0.14192(6) 0.0356(3) Uani 1 1 d . U . . .
Sn9' Sn 0.8966(6) 0.8212(7) 0.2987(2) 0.0421(17) Uani 0.349(11) 1 d . U P A 2
Sn9 Sn 0.8627(3) 0.8664(4) 0.28989(19) 0.0393(10) Uani 0.651(11) 1 d . U P A 1
Sn1' Sn 0.6984(7) 0.9153(4) 0.2899(4) 0.0350(16) Uani 0.349(11) 1 d . U P A 2
Sn10 Sn 0.6635(3) 0.9055(3) 0.3011(2) 0.0430(8) Uani 0.651(11) 1 d . U P A 1
Sn3' Sn 0.9138(4) 0.6318(5) 0.3221(3) 0.0372(16) Uani 0.349(11) 1 d . U P A 2
Rh1 Rh 0.77837(6) 0.76455(6) 0.23158(5) 0.0135(2) Uani 1 1 d . U . . .
K1 K 0.17011(18) 0.16311(18) 0.27399(14) 0.0177(6) Uani 1 1 d . U . . .
O2 O 0.1147(6) 0.0204(6) 0.3564(4) 0.0203(18) Uani 1 1 d . U . . .
O4 O 0.3523(6) 0.1068(6) 0.3234(5) 0.0240(19) Uani 1 1 d . U . . .
O6 O 0.1040(6) 0.3430(6) 0.2137(5) 0.0258(19) Uani 1 1 d . U . . .
O10 O 0.3129(6) 0.1253(6) 0.1767(5) 0.029(2) Uani 1 1 d . U . . .
O14 O 0.0570(6) 0.0776(6) 0.2156(5) 0.0224(18) Uani 1 1 d . U . . .
O15 O 0.1231(6) 0.2976(6) 0.3602(5) 0.026(2) Uani 1 1 d . U . . .
N1 N 0.2041(7) 0.1183(7) 0.4332(5) 0.0191(19) Uani 1 1 d . U . . .
N4 N 0.1267(7) 0.2085(7) 0.1197(5) 0.023(2) Uani 1 1 d . U . . .
C1AA C 0.1565(9) 0.2830(9) 0.4308(7) 0.024(3) Uani 1 1 d . U . . .
H1AA H 0.1198 0.3281 0.4572 0.028 Uiso 1 1 calc R . . . .
H1AB H 0.2197 0.2858 0.4302 0.028 Uiso 1 1 calc R . . . .
C1BA C 0.1502(10) 0.1920(9) 0.4650(7) 0.026(3) Uani 1 1 d . U . . .
H1BA H 0.1684 0.1837 0.5138 0.031 Uiso 1 1 calc R . . . .
H1BB H 0.0863 0.1913 0.4648 0.031 Uiso 1 1 calc R . . . .
C2AA C 0.0610(10) 0.0791(9) 0.1404(7) 0.025(3) Uani 1 1 d . U . . .
H2AA H 0.0124 0.0568 0.1257 0.029 Uiso 1 1 calc R . . . .
H2AB H 0.1194 0.0411 0.1271 0.029 Uiso 1 1 calc R . . . .
C2BA C 0.3026(8) 0.1055(9) 0.4441(7) 0.020(2) Uani 1 1 d . U . . .
H2BA H 0.3190 0.0737 0.4909 0.024 Uiso 1 1 calc R . . . .
H2BB H 0.3147 0.1628 0.4415 0.024 Uiso 1 1 calc R . . . .
C3BA C 0.0667(10) -0.0123(9) 0.2496(7) 0.026(3) Uani 1 1 d . U . . .
H3BA H 0.1284 -0.0486 0.2420 0.031 Uiso 1 1 calc R . . . .
H3BB H 0.0235 -0.0372 0.2299 0.031 Uiso 1 1 calc R . . . .
C4AA C 0.0504(9) 0.1732(8) 0.1040(7) 0.024(3) Uani 1 1 d . U . . .
H4AA H 0.0475 0.1744 0.0534 0.029 Uiso 1 1 calc R . . . .
H4AB H -0.0071 0.2111 0.1190 0.029 Uiso 1 1 calc R . . . .
C6AA C 0.0978(10) 0.3045(9) 0.0980(7) 0.027(3) Uani 1 1 d . U . . .
H6AA H 0.0602 0.3171 0.0563 0.032 Uiso 1 1 calc R . . . .
H6AB H 0.1520 0.3251 0.0853 0.032 Uiso 1 1 calc R . . . .
C6BA C 0.0978(9) 0.0265(9) 0.4280(7) 0.023(3) Uani 1 1 d . U . . .
H6BA H 0.0825 -0.0265 0.4510 0.028 Uiso 1 1 calc R . . . .
H6BB H 0.0454 0.0767 0.4331 0.028 Uiso 1 1 calc R . . . .
C7BA C 0.3641(9) 0.0531(8) 0.3886(7) 0.021(2) Uani 1 1 d . U . . .
H7BA H 0.4281 0.0368 0.4023 0.025 Uiso 1 1 calc R . . . .
H7BB H 0.3467 -0.0007 0.3858 0.025 Uiso 1 1 calc R . . . .
C9AA C 0.0657(11) 0.4055(9) 0.2621(7) 0.031(3) Uani 1 1 d . U . . .
H9AA H 0.0035 0.4034 0.2753 0.037 Uiso 1 1 calc R . . . .
H9AB H 0.0636 0.4650 0.2398 0.037 Uiso 1 1 calc R . . . .
C21 C 0.2085(9) 0.1677(10) 0.0789(7) 0.031(3) Uani 1 1 d . U . . .
H21A H 0.2018 0.1957 0.0302 0.037 Uiso 1 1 calc R . . . .
H21B H 0.2127 0.1055 0.0797 0.037 Uiso 1 1 calc R . . . .
C24 C 0.1787(9) 0.0371(9) 0.4630(7) 0.024(3) Uani 1 1 d . U . . .
H24A H 0.1654 0.0382 0.5129 0.028 Uiso 1 1 calc R . . . .
H24B H 0.2306 -0.0136 0.4583 0.028 Uiso 1 1 calc R . . . .
C28 C 0.4012(9) 0.1213(10) 0.2038(8) 0.033(3) Uani 1 1 d . U . . .
H28A H 0.4035 0.1802 0.2100 0.039 Uiso 1 1 calc R . . . .
H28B H 0.4492 0.0988 0.1706 0.039 Uiso 1 1 calc R . . . .
C29 C 0.4160(9) 0.0640(10) 0.2708(7) 0.029(3) Uani 1 1 d . U . . .
H29A H 0.4789 0.0532 0.2857 0.034 Uiso 1 1 calc R . . . .
H29B H 0.4054 0.0075 0.2662 0.034 Uiso 1 1 calc R . . . .
C31 C 0.0440(9) 0.3564(9) 0.1543(7) 0.025(3) Uani 1 1 d . U . . .
H31A H 0.0237 0.4189 0.1358 0.031 Uiso 1 1 calc R . . . .
H31B H -0.0096 0.3358 0.1688 0.031 Uiso 1 1 calc R . . . .
C47 C 0.2973(9) 0.1766(10) 0.1085(7) 0.030(3) Uani 1 1 d . U . . .
H47A H 0.3486 0.1558 0.0774 0.036 Uiso 1 1 calc R . . . .
H47B H 0.2917 0.2382 0.1119 0.036 Uiso 1 1 calc R . . . .
C49 C 0.0487(9) -0.0107(9) 0.3260(7) 0.024(3) Uani 1 1 d . U . . .
H49A H -0.0122 0.0274 0.3332 0.029 Uiso 1 1 calc R . . . .
H49B H 0.0507 -0.0699 0.3491 0.029 Uiso 1 1 calc R . . . .
C52 C 0.1238(11) 0.3821(9) 0.3251(7) 0.032(3) Uani 1 1 d . U . . .
H52A H 0.1862 0.3824 0.3113 0.038 Uiso 1 1 calc R . . . .
H52B H 0.1013 0.4258 0.3567 0.038 Uiso 1 1 calc R . . . .
K2 K 0.30148(18) 0.67417(18) 0.01028(14) 0.0182(6) Uani 1 1 d . U . . .
O1 O 0.4505(6) 0.6170(6) 0.1018(5) 0.0241(19) Uani 1 1 d . U . . .
O3 O 0.4849(6) 0.6391(6) -0.0449(5) 0.0240(19) Uani 1 1 d . U . . .
O11 O 0.2248(7) 0.8524(6) -0.0401(5) 0.031(2) Uani 1 1 d . U . . .
O16 O 0.2320(6) 0.5249(6) 0.0438(5) 0.0253(19) Uani 1 1 d . U . . .
O18 O 0.1686(6) 0.7771(6) 0.0909(5) 0.028(2) Uani 1 1 d . U . . .
O19 O 0.2155(6) 0.6169(6) -0.0947(5) 0.0237(19) Uani 1 1 d . U . . .
N6 N 0.3294(8) 0.7380(7) -0.1401(6) 0.024(2) Uani 1 1 d . U . . .
N51 N 0.2756(7) 0.6055(8) 0.1586(6) 0.027(2) Uani 1 1 d . U . . .
C4BA C 0.5549(9) 0.6349(9) 0.0049(7) 0.022(3) Uani 1 1 d . U . . .
H4BA H 0.5528 0.6939 0.0138 0.026 Uiso 1 1 calc R . . . .
H4BB H 0.6152 0.6086 -0.0140 0.026 Uiso 1 1 calc R . . . .
C5AA C 0.1627(9) 0.5269(9) -0.0030(7) 0.025(3) Uani 1 1 d . U . . .
H5AA H 0.1102 0.5769 0.0024 0.030 Uiso 1 1 calc R . . . .
H5AB H 0.1428 0.4733 0.0083 0.030 Uiso 1 1 calc R . . . .
C5BA C 0.5374(8) 0.5792(8) 0.0725(7) 0.018(2) Uani 1 1 d . U . . .
H5BA H 0.5402 0.5202 0.0630 0.022 Uiso 1 1 calc R . . . .
H5BB H 0.5850 0.5740 0.1062 0.022 Uiso 1 1 calc R . . . .
C7AA C 0.4949(10) 0.6973(9) -0.1071(7) 0.027(3) Uani 1 1 d . U . . .
H7AA H 0.5562 0.6775 -0.1266 0.033 Uiso 1 1 calc R . . . .
H7AB H 0.4866 0.7565 -0.0957 0.033 Uiso 1 1 calc R . . . .
C8AA C 0.2685(10) 0.7157(9) -0.1841(7) 0.025(3) Uani 1 1 d . U . . .
H8AA H 0.2918 0.7201 -0.2322 0.030 Uiso 1 1 calc R . . . .
H8AB H 0.2090 0.7587 -0.1835 0.030 Uiso 1 1 calc R . . . .
C8BA C 0.4262(9) 0.6988(10) -0.1595(7) 0.029(3) Uani 1 1 d . U . . .
H8BA H 0.4329 0.6386 -0.1677 0.034 Uiso 1 1 calc R . . . .
H8BB H 0.4399 0.7317 -0.2036 0.034 Uiso 1 1 calc R . . . .
C25 C 0.3514(9) 0.6185(11) 0.1987(7) 0.031(3) Uani 1 1 d . U . . .
H25A H 0.3422 0.6815 0.1981 0.038 Uiso 1 1 calc R . . . .
H25B H 0.3470 0.5925 0.2474 0.038 Uiso 1 1 calc R . . . .
C30 C 0.2153(11) 0.4921(10) 0.1153(7) 0.034(3) Uani 1 1 d . U . . .
H30A H 0.2231 0.4288 0.1204 0.041 Uiso 1 1 calc R . . . .
H30B H 0.1528 0.5203 0.1289 0.041 Uiso 1 1 calc R . . . .
C32 C 0.2553(9) 0.6225(9) -0.1626(7) 0.023(3) Uani 1 1 d . U . . .
H32A H 0.2159 0.6109 -0.1961 0.028 Uiso 1 1 calc R . . . .
H32B H 0.3143 0.5786 -0.1627 0.028 Uiso 1 1 calc R . . . .
C38 C 0.2837(11) 0.5124(10) 0.1626(8) 0.038(3) Uani 1 1 d . U . . .
H38A H 0.2739 0.4887 0.2111 0.045 Uiso 1 1 calc R . . . .
H38B H 0.3457 0.4826 0.1490 0.045 Uiso 1 1 calc R . . . .
C40 C 0.1661(10) 0.7553(10) 0.1651(7) 0.031(3) Uani 1 1 d . U . . .
H40A H 0.1063 0.7837 0.1836 0.038 Uiso 1 1 calc R . . . .
H40B H 0.2124 0.7747 0.1867 0.038 Uiso 1 1 calc R . . . .
C41 C 0.1407(10) 0.8910(9) -0.0074(7) 0.030(3) Uani 1 1 d . U . . .
H41A H 0.0928 0.8685 -0.0231 0.036 Uiso 1 1 calc R . . . .
H41B H 0.1240 0.9546 -0.0214 0.036 Uiso 1 1 calc R . . . .
C42 C 0.2192(11) 0.8807(10) -0.1138(8) 0.037(3) Uani 1 1 d . U . . .
H42A H 0.2075 0.9445 -0.1236 0.044 Uiso 1 1 calc R . . . .
H42B H 0.1694 0.8642 -0.1333 0.044 Uiso 1 1 calc R . . . .
C46 C 0.1473(10) 0.8705(9) 0.0727(8) 0.033(3) Uani 1 1 d . U . . .
H46A H 0.1950 0.8927 0.0891 0.039 Uiso 1 1 calc R . . . .
H46B H 0.0895 0.8984 0.0942 0.039 Uiso 1 1 calc R . . . .
C54 C 0.1955(10) 0.5344(9) -0.0764(8) 0.030(3) Uani 1 1 d . U . . .
H54A H 0.2502 0.4867 -0.0816 0.036 Uiso 1 1 calc R . . . .
H54B H 0.1487 0.5301 -0.1075 0.036 Uiso 1 1 calc R . . . .
C55 C 0.1851(9) 0.6556(10) 0.1808(8) 0.030(3) Uani 1 1 d . U . . .
H55A H 0.1786 0.6392 0.2312 0.036 Uiso 1 1 calc R . . . .
H55B H 0.1388 0.6380 0.1578 0.036 Uiso 1 1 calc R . . . .
C56 C 0.4445(10) 0.5810(10) 0.1728(7) 0.030(3) Uani 1 1 d . U . . .
H56A H 0.4890 0.5951 0.2005 0.037 Uiso 1 1 calc R . . . .
H56B H 0.4575 0.5171 0.1770 0.037 Uiso 1 1 calc R . . . .
C57 C 0.3109(10) 0.8357(9) -0.1468(8) 0.030(3) Uani 1 1 d . U . . .
H57A H 0.3112 0.8596 -0.1964 0.036 Uiso 1 1 calc R . . . .
H57B H 0.3601 0.8497 -0.1244 0.036 Uiso 1 1 calc R . . . .
K3 K 0.68579(18) 0.30774(18) 0.47225(14) 0.0189(6) Uani 1 1 d . U . . .
O8 O 0.6435(6) 0.4865(6) 0.4489(5) 0.028(2) Uani 1 1 d . U . . .
O9 O 0.6218(6) 0.1854(6) 0.5680(4) 0.0217(18) Uani 1 1 d . U . . .
O12 O 0.7367(6) 0.2781(6) 0.6154(5) 0.0256(19) Uani 1 1 d . U . . .
O13 O 0.7346(6) 0.1989(6) 0.3675(5) 0.0274(19) Uani 1 1 d . U . . .
O17 O 0.8671(6) 0.2719(6) 0.4182(5) 0.029(2) Uani 1 1 d . U . . .
O101 O 0.5182(6) 0.4113(6) 0.4029(5) 0.0261(19) Uani 1 1 d . U . . .
N7 N 0.5490(7) 0.2174(7) 0.4229(6) 0.022(2) Uani 1 1 d . U . . .
N8 N 0.8190(7) 0.4014(7) 0.5204(6) 0.024(2) Uani 1 1 d . U . . .
C0AA C 0.7235(10) 0.2001(9) 0.6520(7) 0.028(3) Uani 1 1 d . U . . .
H0AA H 0.7315 0.1983 0.7021 0.034 Uiso 1 1 calc R . . . .
H0AB H 0.7682 0.1497 0.6365 0.034 Uiso 1 1 calc R . . . .
C0BA C 0.4604(9) 0.2839(8) 0.4030(7) 0.021(2) Uani 1 1 d . U . . .
H0BA H 0.4258 0.2998 0.4452 0.025 Uiso 1 1 calc R . . . .
H0BB H 0.4242 0.2587 0.3759 0.025 Uiso 1 1 calc R . . . .
C3AA C 0.5622(9) 0.5401(8) 0.4182(7) 0.023(2) Uani 1 1 d . U . . .
H3AA H 0.5716 0.5954 0.3945 0.027 Uiso 1 1 calc R . . . .
H3AB H 0.5149 0.5533 0.4541 0.027 Uiso 1 1 calc R . . . .
C22 C 0.5334(10) 0.4907(9) 0.3659(7) 0.029(3) Uani 1 1 d . U . . .
H22A H 0.4776 0.5270 0.3424 0.035 Uiso 1 1 calc R . . . .
H22B H 0.5811 0.4770 0.3304 0.035 Uiso 1 1 calc R . . . .
C23 C 0.6911(9) 0.1303(10) 0.3719(7) 0.028(3) Uani 1 1 d . U . . .
H23A H 0.7041 0.0928 0.4170 0.034 Uiso 1 1 calc R . . . .
H23B H 0.7143 0.0942 0.3349 0.034 Uiso 1 1 calc R . . . .
C26 C 0.5887(9) 0.1704(9) 0.3639(7) 0.026(3) Uani 1 1 d . U . . .
H26A H 0.5768 0.2113 0.3203 0.031 Uiso 1 1 calc R . . . .
H26B H 0.5593 0.1239 0.3611 0.031 Uiso 1 1 calc R . . . .
C27 C 0.8259(10) 0.3835(10) 0.5970(7) 0.031(3) Uani 1 1 d . U . . .
H27A H 0.7745 0.4237 0.6176 0.037 Uiso 1 1 calc R . . . .
H27B H 0.8820 0.3944 0.6111 0.037 Uiso 1 1 calc R . . . .
C33 C 0.5299(9) 0.1529(9) 0.4821(7) 0.023(3) Uani 1 1 d . U . . .
H33A H 0.5757 0.0965 0.4822 0.028 Uiso 1 1 calc R . . . .
H33B H 0.4702 0.1438 0.4756 0.028 Uiso 1 1 calc R . . . .
C34 C 0.7828(9) 0.4963(9) 0.4952(8) 0.028(3) Uani 1 1 d . U . . .
H34A H 0.8036 0.5083 0.4470 0.034 Uiso 1 1 calc R . . . .
H34B H 0.8083 0.5294 0.5237 0.034 Uiso 1 1 calc R . . . .
C35 C 0.5312(9) 0.1865(9) 0.5530(7) 0.024(3) Uani 1 1 d . U . . .
H35A H 0.4915 0.2463 0.5508 0.029 Uiso 1 1 calc R . . . .
H35B H 0.5084 0.1490 0.5901 0.029 Uiso 1 1 calc R . . . .
C36 C 0.4786(10) 0.3675(9) 0.3586(7) 0.029(3) Uani 1 1 d . U . . .
H36A H 0.5201 0.3509 0.3198 0.035 Uiso 1 1 calc R . . . .
H36B H 0.4214 0.4068 0.3393 0.035 Uiso 1 1 calc R . . . .
C37 C 0.8751(10) 0.2409(11) 0.3529(8) 0.036(3) Uani 1 1 d . U . . .
H37A H 0.9394 0.2203 0.3402 0.043 Uiso 1 1 calc R . . . .
H37B H 0.8454 0.2886 0.3168 0.043 Uiso 1 1 calc R . . . .
C39 C 0.6288(9) 0.1962(10) 0.6383(7) 0.027(3) Uani 1 1 d . U . . .
H39A H 0.6151 0.1471 0.6692 0.032 Uiso 1 1 calc R . . . .
H39B H 0.5847 0.2504 0.6480 0.032 Uiso 1 1 calc R . . . .
C44 C 0.9099(10) 0.3691(11) 0.4874(8) 0.034(3) Uani 1 1 d . U . . .
H44A H 0.9456 0.3169 0.5169 0.041 Uiso 1 1 calc R . . . .
H44B H 0.9426 0.4143 0.4837 0.041 Uiso 1 1 calc R . . . .
C48 C 0.8317(9) 0.1680(10) 0.3571(8) 0.033(3) Uani 1 1 d . U . . .
H48A H 0.8441 0.1418 0.3139 0.040 Uiso 1 1 calc R . . . .
H48B H 0.8580 0.1227 0.3959 0.040 Uiso 1 1 calc R . . . .
C51 C 0.8262(10) 0.2899(10) 0.6247(7) 0.029(3) Uani 1 1 d . U . . .
H51A H 0.8721 0.2495 0.5996 0.035 Uiso 1 1 calc R . . . .
H51B H 0.8417 0.2770 0.6743 0.035 Uiso 1 1 calc R . . . .
C53 C 0.6821(9) 0.5285(9) 0.4974(8) 0.028(3) Uani 1 1 d . U . . .
H53A H 0.6599 0.5145 0.5449 0.034 Uiso 1 1 calc R . . . .
H53B H 0.6632 0.5922 0.4843 0.034 Uiso 1 1 calc R . . . .
C58 C 0.8999(10) 0.3468(10) 0.4152(7) 0.031(3) Uani 1 1 d . U . . .
H58A H 0.8579 0.3968 0.3879 0.037 Uiso 1 1 calc R . . . .
H58B H 0.9591 0.3362 0.3913 0.037 Uiso 1 1 calc R . . . .
N2 N 0.3446(9) 0.9052(10) 0.1623(7) 0.048(4) Uani 1 1 d . U . . .
H2A H 0.3398 0.8518 0.1708 0.058 Uiso 1 1 calc R . . . .
H2B H 0.3231 0.9414 0.1920 0.058 Uiso 1 1 calc R . . . .
N3 N 0.4736(8) 0.8800(8) -0.0076(6) 0.033(3) Uani 1 1 d . U . . .
H3A H 0.4836 0.9314 -0.0166 0.040 Uiso 1 1 calc R . . . .
H3B H 0.4948 0.8414 -0.0356 0.040 Uiso 1 1 calc R . . . .
C9BA C 0.4212(10) 0.8586(10) 0.0545(7) 0.030(3) Uani 1 1 d . U . . .
H9BA H 0.4586 0.8074 0.0840 0.036 Uiso 1 1 calc R . . . .
H9BB H 0.3678 0.8430 0.0402 0.036 Uiso 1 1 calc R . . . .
C43 C 0.3898(9) 0.9343(9) 0.0969(7) 0.027(3) Uani 1 1 d . U . . .
H43A H 0.4422 0.9536 0.1083 0.033 Uiso 1 1 calc R . . . .
H43B H 0.3472 0.9839 0.0695 0.033 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Sn6 Sn5 3.0770(15) . ?
Sn6 Sn1 3.1468(14) . ?
Sn6 Sn2 2.9787(15) . ?
Sn6 Sn7 2.9690(16) . ?
Sn6 Rh1 2.7295(14) . ?
Sn3 Sn4 3.115(4) . ?
Sn3 Sn2 2.913(3) . ?
Sn3 Sn9 2.970(4) . ?
Sn3 Rh1 2.711(2) . ?
Sn5 Sn4 3.1515(15) . ?
Sn5 Sn1 3.0254(17) . ?
Sn5 Sn7 3.2138(16) . ?
Sn5 Sn10 3.036(5) . ?
Sn5 Rh1 2.7031(14) . ?
Sn8 Sn2 2.9058(16) . ?
Sn8 Sn7 2.9746(16) . ?
Sn8 Sn9' 3.148(5) . ?
Sn8 Sn9 3.068(3) . ?
Sn8 Rh1 2.6791(14) . ?
Sn4 Sn1 3.1105(15) . ?
Sn4 Sn9' 3.281(5) . ?
Sn4 Sn1' 3.088(6) . ?
Sn4 Sn10 2.917(4) . ?
Sn4 Sn3' 2.813(5) . ?
Sn4 Rh1 2.7075(15) . ?
Sn1 Sn2 3.1845(16) . ?
Sn1 Sn3' 2.880(6) . ?
Sn1 Rh1 2.7080(15) . ?
Sn2 Sn3' 3.185(6) . ?
Sn2 Rh1 2.8684(14) . ?
Sn7 Sn1' 2.910(6) . ?
Sn7 Sn10 3.044(4) . ?
Sn7 Rh1 2.7872(14) . ?
Sn9' Sn1' 2.963(8) . ?
Sn9' Sn3' 2.915(7) . ?
Sn9' Rh1 2.671(4) . ?
Sn9 Sn10 2.911(4) . ?
Sn9 Rh1 2.705(2) . ?
Sn1' Rh1 2.743(6) . ?
Sn10 Rh1 2.887(3) . ?
Sn3' Rh1 2.923(5) . ?
K1 O2 2.858(9) . ?
K1 O4 2.821(9) . ?
K1 O6 2.837(9) . ?
K1 O10 2.782(9) . ?
K1 O14 2.822(9) . ?
K1 O15 2.812(10) . ?
K1 N1 3.065(10) . ?
K1 N4 3.000(11) . ?
O2 C6BA 1.398(15) . ?
O2 C49 1.414(15) . ?
O4 C7BA 1.393(15) . ?
O4 C29 1.469(15) . ?
O6 C9AA 1.446(16) . ?
O6 C31 1.446(16) . ?
O10 C28 1.441(17) . ?
O10 C47 1.425(15) . ?
O14 C2AA 1.438(15) . ?
O14 C3BA 1.448(15) . ?
O15 C1AA 1.432(16) . ?
O15 C52 1.411(15) . ?
N1 C1BA 1.431(17) . ?
N1 C2BA 1.471(15) . ?
N1 C24 1.472(16) . ?
N4 C4AA 1.477(17) . ?
N4 C6AA 1.467(17) . ?
N4 C21 1.477(17) . ?
C1AA H1AA 0.9700 . ?
C1AA H1AB 0.9700 . ?
C1AA C1BA 1.519(18) . ?
C1BA H1BA 0.9700 . ?
C1BA H1BB 0.9700 . ?
C2AA H2AA 0.9700 . ?
C2AA H2AB 0.9700 . ?
C2AA C4AA 1.521(17) . ?
C2BA H2BA 0.9700 . ?
C2BA H2BB 0.9700 . ?
C2BA C7BA 1.559(18) . ?
C3BA H3BA 0.9700 . ?
C3BA H3BB 0.9700 . ?
C3BA C49 1.480(19) . ?
C4AA H4AA 0.9700 . ?
C4AA H4AB 0.9700 . ?
C6AA H6AA 0.9700 . ?
C6AA H6AB 0.9700 . ?
C6AA C31 1.523(19) . ?
C6BA H6BA 0.9700 . ?
C6BA H6BB 0.9700 . ?
C6BA C24 1.487(17) . ?
C7BA H7BA 0.9700 . ?
C7BA H7BB 0.9700 . ?
C9AA H9AA 0.9700 . ?
C9AA H9AB 0.9700 . ?
C9AA C52 1.47(2) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C47 1.53(2) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 C29 1.45(2) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
K2 O1 2.790(8) . ?
K2 O3 2.860(9) . ?
K2 O11 2.788(10) . ?
K2 O16 2.826(9) . ?
K2 O18 2.784(10) . ?
K2 O19 2.834(9) . ?
K2 N6 2.960(11) . ?
K2 N51 2.936(11) . ?
O1 C5BA 1.415(15) . ?
O1 C56 1.403(16) . ?
O3 C4BA 1.443(15) . ?
O3 C7AA 1.424(15) . ?
O11 C41 1.414(17) . ?
O11 C42 1.417(17) . ?
O16 C5AA 1.406(15) . ?
O16 C30 1.427(16) . ?
O18 C40 1.415(16) . ?
O18 C46 1.421(17) . ?
O19 C32 1.408(16) . ?
O19 C54 1.415(16) . ?
N6 C8AA 1.427(17) . ?
N6 C8BA 1.480(18) . ?
N6 C57 1.485(17) . ?
N51 C25 1.489(17) . ?
N51 C38 1.440(19) . ?
N51 C55 1.462(17) . ?
C4BA H4BA 0.9700 . ?
C4BA H4BB 0.9700 . ?
C4BA C5BA 1.512(17) . ?
C5AA H5AA 0.9700 . ?
C5AA H5AB 0.9700 . ?
C5AA C54 1.47(2) . ?
C5BA H5BA 0.9700 . ?
C5BA H5BB 0.9700 . ?
C7AA H7AA 0.9700 . ?
C7AA H7AB 0.9700 . ?
C7AA C8BA 1.474(19) . ?
C8AA H8AA 0.9700 . ?
C8AA H8AB 0.9700 . ?
C8AA C32 1.538(18) . ?
C8BA H8BA 0.9700 . ?
C8BA H8BB 0.9700 . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C56 1.46(2) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 C38 1.54(2) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C40 C55 1.51(2) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C41 C46 1.52(2) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C42 C57 1.53(2) . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
K3 O8 2.705(9) . ?
K3 O9 2.806(9) . ?
K3 O12 2.823(9) . ?
K3 O13 2.786(10) . ?
K3 O17 2.824(9) . ?
K3 O101 2.881(9) . ?
K3 N7 3.079(11) . ?
K3 N8 3.064(11) . ?
O8 C3AA 1.389(15) . ?
O8 C53 1.451(16) . ?
O9 C35 1.411(15) . ?
O9 C39 1.397(16) . ?
O12 C0AA 1.389(16) . ?
O12 C51 1.442(16) . ?
O13 C23 1.411(17) . ?
O13 C48 1.430(16) . ?
O17 C37 1.401(17) . ?
O17 C58 1.402(17) . ?
O101 C22 1.422(15) . ?
O101 C36 1.421(16) . ?
N7 C0BA 1.487(16) . ?
N7 C26 1.462(17) . ?
N7 C33 1.483(16) . ?
N8 C27 1.457(18) . ?
N8 C34 1.469(17) . ?
N8 C44 1.477(18) . ?
C0AA H0AA 0.9700 . ?
C0AA H0AB 0.9700 . ?
C0AA C39 1.489(19) . ?
C0BA H0BA 0.9700 . ?
C0BA H0BB 0.9700 . ?
C0BA C36 1.551(18) . ?
C3AA H3AA 0.9700 . ?
C3AA H3AB 0.9700 . ?
C3AA C22 1.51(2) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C26 1.511(19) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 C51 1.500(19) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C33 C35 1.536(18) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C34 C53 1.470(19) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C37 C48 1.47(2) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C44 C58 1.50(2) . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
N2 H2A 0.8600 . ?
N2 H2B 0.8600 . ?
N2 C43 1.473(19) . ?
N3 H3A 0.8600 . ?
N3 H3B 0.8600 . ?
N3 C9BA 1.449(18) . ?
C9BA H9BA 0.9700 . ?
C9BA H9BB 0.9700 . ?
C9BA C43 1.509(19) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?

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
Sn5 Sn6 Sn1 58.16(4) . . ?
Sn2 Sn6 Sn5 108.99(4) . . ?
Sn2 Sn6 Sn1 62.58(4) . . ?
Sn7 Sn6 Sn5 64.19(4) . . ?
Sn7 Sn6 Sn1 107.73(4) . . ?
Sn7 Sn6 Sn2 103.53(4) . . ?
Rh1 Sn6 Sn5 55.10(3) . . ?
Rh1 Sn6 Sn1 54.32(3) . . ?
Rh1 Sn6 Sn2 60.14(3) . . ?
Rh1 Sn6 Sn7 58.38(3) . . ?
Sn2 Sn3 Sn4 109.13(8) . . ?
Sn2 Sn3 Sn9 99.94(11) . . ?
Sn9 Sn3 Sn4 68.45(6) . . ?
Rh1 Sn3 Sn4 54.85(6) . . ?
Rh1 Sn3 Sn2 61.21(6) . . ?
Rh1 Sn3 Sn9 56.65(6) . . ?
Sn6 Sn5 Sn4 105.74(4) . . ?
Sn6 Sn5 Sn7 56.27(3) . . ?
Sn4 Sn5 Sn7 99.60(4) . . ?
Sn1 Sn5 Sn6 62.08(3) . . ?
Sn1 Sn5 Sn4 60.43(4) . . ?
Sn1 Sn5 Sn7 104.67(4) . . ?
Sn1 Sn5 Sn10 107.38(8) . . ?
Sn10 Sn5 Sn6 105.54(9) . . ?
Sn10 Sn5 Sn4 56.23(8) . . ?
Sn10 Sn5 Sn7 58.22(9) . . ?
Rh1 Sn5 Sn6 55.91(3) . . ?
Rh1 Sn5 Sn4 54.44(3) . . ?
Rh1 Sn5 Sn1 56.08(4) . . ?
Rh1 Sn5 Sn7 55.40(3) . . ?
Rh1 Sn5 Sn10 60.07(8) . . ?
Sn2 Sn8 Sn7 105.20(4) . . ?
Sn2 Sn8 Sn9' 85.77(19) . . ?
Sn2 Sn8 Sn9 97.86(11) . . ?
Sn7 Sn8 Sn9' 92.63(17) . . ?
Sn7 Sn8 Sn9 82.82(9) . . ?
Rh1 Sn8 Sn2 61.65(4) . . ?
Rh1 Sn8 Sn7 58.80(4) . . ?
Rh1 Sn8 Sn9' 53.83(9) . . ?
Rh1 Sn8 Sn9 55.67(6) . . ?
Sn3 Sn4 Sn5 105.34(6) . . ?
Sn5 Sn4 Sn9' 102.09(10) . . ?
Sn1 Sn4 Sn3 64.76(7) . . ?
Sn1 Sn4 Sn5 57.78(4) . . ?
Sn1 Sn4 Sn9' 95.53(15) . . ?
Sn1' Sn4 Sn5 65.94(13) . . ?
Sn1' Sn4 Sn1 107.34(12) . . ?
Sn1' Sn4 Sn9' 55.34(13) . . ?
Sn10 Sn4 Sn3 103.13(8) . . ?
Sn10 Sn4 Sn5 59.88(9) . . ?
Sn10 Sn4 Sn1 108.20(8) . . ?
Sn3' Sn4 Sn5 107.77(9) . . ?
Sn3' Sn4 Sn1 57.91(12) . . ?
Sn3' Sn4 Sn9' 56.52(13) . . ?
Sn3' Sn4 Sn1' 107.17(14) . . ?
Rh1 Sn4 Sn3 54.96(7) . . ?
Rh1 Sn4 Sn5 54.31(3) . . ?
Rh1 Sn4 Sn1 54.95(3) . . ?
Rh1 Sn4 Sn9' 51.91(8) . . ?
Rh1 Sn4 Sn1' 56.04(14) . . ?
Rh1 Sn4 Sn10 61.63(8) . . ?
Rh1 Sn4 Sn3' 63.90(14) . . ?
Sn6 Sn1 Sn2 56.13(3) . . ?
Sn5 Sn1 Sn6 59.77(3) . . ?
Sn5 Sn1 Sn4 61.79(4) . . ?
Sn5 Sn1 Sn2 105.08(4) . . ?
Sn4 Sn1 Sn6 105.05(4) . . ?
Sn4 Sn1 Sn2 102.59(4) . . ?
Sn3' Sn1 Sn6 108.65(19) . . ?
Sn3' Sn1 Sn5 109.48(12) . . ?
Sn3' Sn1 Sn4 55.86(9) . . ?
Sn3' Sn1 Sn2 63.12(16) . . ?
Rh1 Sn1 Sn6 54.96(3) . . ?
Rh1 Sn1 Sn5 55.93(4) . . ?
Rh1 Sn1 Sn4 54.94(4) . . ?
Rh1 Sn1 Sn2 57.58(3) . . ?
Rh1 Sn1 Sn3' 62.99(17) . . ?
Sn6 Sn2 Sn1 61.30(4) . . ?
Sn6 Sn2 Sn3' 105.20(9) . . ?
Sn3 Sn2 Sn6 109.50(6) . . ?
Sn3 Sn2 Sn1 66.12(11) . . ?
Sn8 Sn2 Sn6 73.10(4) . . ?
Sn8 Sn2 Sn3 82.03(11) . . ?
Sn8 Sn2 Sn1 107.57(4) . . ?
Sn8 Sn2 Sn3' 94.04(15) . . ?
Sn1 Sn2 Sn3' 53.76(15) . . ?
Rh1 Sn2 Sn6 55.62(3) . . ?
Rh1 Sn2 Sn3 55.93(5) . . ?
Rh1 Sn2 Sn8 55.28(3) . . ?
Rh1 Sn2 Sn1 52.84(3) . . ?
Rh1 Sn2 Sn3' 57.46(8) . . ?
Sn6 Sn7 Sn5 59.53(4) . . ?
Sn6 Sn7 Sn8 72.27(4) . . ?
Sn6 Sn7 Sn10 108.06(8) . . ?
Sn8 Sn7 Sn5 107.03(4) . . ?
Sn8 Sn7 Sn10 95.47(9) . . ?
Sn1' Sn7 Sn6 111.20(11) . . ?
Sn1' Sn7 Sn5 67.15(17) . . ?
Sn1' Sn7 Sn8 86.03(19) . . ?
Sn10 Sn7 Sn5 57.96(10) . . ?
Rh1 Sn7 Sn6 56.51(3) . . ?
Rh1 Sn7 Sn5 52.96(3) . . ?
Rh1 Sn7 Sn8 55.30(3) . . ?
Rh1 Sn7 Sn1' 57.52(12) . . ?
Rh1 Sn7 Sn10 59.15(7) . . ?
Sn8 Sn9' Sn4 106.97(13) . . ?
Sn1' Sn9' Sn8 82.1(3) . . ?
Sn1' Sn9' Sn4 59.03(14) . . ?
Sn3' Sn9' Sn8 94.6(3) . . ?
Sn3' Sn9' Sn4 53.61(12) . . ?
Sn3' Sn9' Sn1' 107.90(18) . . ?
Rh1 Sn9' Sn8 54.07(8) . . ?
Rh1 Sn9' Sn4 52.92(8) . . ?
Rh1 Sn9' Sn1' 58.01(16) . . ?
Rh1 Sn9' Sn3' 62.93(15) . . ?
Sn3 Sn9 Sn8 78.44(13) . . ?
Sn10 Sn9 Sn3 106.97(11) . . ?
Sn10 Sn9 Sn8 96.29(14) . . ?
Rh1 Sn9 Sn3 56.84(7) . . ?
Rh1 Sn9 Sn8 54.87(5) . . ?
Rh1 Sn9 Sn10 61.73(8) . . ?
Sn7 Sn1' Sn4 108.26(16) . . ?
Sn7 Sn1' Sn9' 97.9(2) . . ?
Sn9' Sn1' Sn4 65.63(15) . . ?
Rh1 Sn1' Sn4 54.95(10) . . ?
Rh1 Sn1' Sn7 58.99(13) . . ?
Rh1 Sn1' Sn9' 55.66(14) . . ?
Sn5 Sn10 Sn7 63.82(8) . . ?
Sn4 Sn10 Sn5 63.89(9) . . ?
Sn4 Sn10 Sn7 109.25(11) . . ?
Sn9 Sn10 Sn5 109.40(12) . . ?
Sn9 Sn10 Sn4 71.97(11) . . ?
Sn9 Sn10 Sn7 84.28(15) . . ?
Rh1 Sn10 Sn5 54.24(7) . . ?
Rh1 Sn10 Sn4 55.61(7) . . ?
Rh1 Sn10 Sn7 55.98(7) . . ?
Rh1 Sn10 Sn9 55.62(7) . . ?
Sn4 Sn3' Sn1 66.23(13) . . ?
Sn4 Sn3' Sn2 109.84(12) . . ?
Sn4 Sn3' Sn9' 69.86(14) . . ?
Sn4 Sn3' Rh1 56.30(8) . . ?
Sn1 Sn3' Sn2 63.12(8) . . ?
Sn1 Sn3' Sn9' 109.55(15) . . ?
Sn1 Sn3' Rh1 55.64(7) . . ?
Sn9' Sn3' Sn2 85.0(3) . . ?
Sn9' Sn3' Rh1 54.46(12) . . ?
Rh1 Sn3' Sn2 55.83(10) . . ?
Sn6 Rh1 Sn2 64.24(4) . . ?
Sn6 Rh1 Sn7 65.11(4) . . ?
Sn6 Rh1 Sn1' 124.84(14) . . ?
Sn6 Rh1 Sn10 120.10(9) . . ?
Sn3 Rh1 Sn6 124.34(6) . . ?
Sn3 Rh1 Sn2 62.86(6) . . ?
Sn3 Rh1 Sn7 153.60(15) . . ?
Sn3 Rh1 Sn10 115.19(10) . . ?
Sn5 Rh1 Sn6 69.00(4) . . ?
Sn5 Rh1 Sn3 133.96(14) . . ?
Sn5 Rh1 Sn4 71.25(4) . . ?
Sn5 Rh1 Sn1 67.99(4) . . ?
Sn5 Rh1 Sn2 124.45(5) . . ?
Sn5 Rh1 Sn7 71.64(4) . . ?
Sn5 Rh1 Sn9 127.66(9) . . ?
Sn5 Rh1 Sn1' 77.2(2) . . ?
Sn5 Rh1 Sn10 65.69(11) . . ?
Sn8 Rh1 Sn6 80.78(4) . . ?
Sn8 Rh1 Sn3 90.21(14) . . ?
Sn8 Rh1 Sn5 135.28(5) . . ?
Sn8 Rh1 Sn4 147.20(5) . . ?
Sn8 Rh1 Sn1 131.74(5) . . ?
Sn8 Rh1 Sn2 63.07(4) . . ?
Sn8 Rh1 Sn7 65.90(4) . . ?
Sn8 Rh1 Sn9 69.46(7) . . ?
Sn8 Rh1 Sn1' 95.5(2) . . ?
Sn8 Rh1 Sn10 106.26(11) . . ?
Sn4 Rh1 Sn6 131.94(5) . . ?
Sn4 Rh1 Sn3 70.19(11) . . ?
Sn4 Rh1 Sn1 70.11(4) . . ?
Sn4 Rh1 Sn2 123.52(5) . . ?
Sn4 Rh1 Sn7 124.45(5) . . ?
Sn4 Rh1 Sn1' 69.01(16) . . ?
Sn4 Rh1 Sn10 62.77(9) . . ?
Sn1 Rh1 Sn6 70.72(4) . . ?
Sn1 Rh1 Sn3 75.94(13) . . ?
Sn1 Rh1 Sn2 69.58(4) . . ?
Sn1 Rh1 Sn7 128.05(5) . . ?
Sn1 Rh1 Sn1' 132.7(2) . . ?
Sn1 Rh1 Sn10 121.58(11) . . ?
Sn2 Rh1 Sn10 168.53(11) . . ?
Sn7 Rh1 Sn2 111.38(5) . . ?
Sn7 Rh1 Sn10 64.87(9) . . ?
Sn9' Rh1 Sn6 151.92(13) . . ?
Sn9' Rh1 Sn5 137.1(2) . . ?
Sn9' Rh1 Sn8 72.10(10) . . ?
Sn9' Rh1 Sn4 75.17(10) . . ?
Sn9' Rh1 Sn1 123.3(2) . . ?
Sn9' Rh1 Sn2 96.2(2) . . ?
Sn9' Rh1 Sn7 108.5(2) . . ?
Sn9' Rh1 Sn1' 66.33(18) . . ?
Sn9 Rh1 Sn6 148.80(10) . . ?
Sn9 Rh1 Sn3 66.52(9) . . ?
Sn9 Rh1 Sn4 78.51(8) . . ?
Sn9 Rh1 Sn1 137.35(13) . . ?
Sn9 Rh1 Sn2 107.81(9) . . ?
Sn9 Rh1 Sn7 93.39(14) . . ?
Sn9 Rh1 Sn10 62.65(8) . . ?
Sn1' Rh1 Sn2 156.5(2) . . ?
Sn1' Rh1 Sn7 63.49(13) . . ?
O2 K1 N1 58.7(3) . . ?
O2 K1 N4 119.8(3) . . ?
O4 K1 O2 94.7(3) . . ?
O4 K1 O6 117.1(3) . . ?
O4 K1 O14 133.3(3) . . ?
O4 K1 N1 60.8(3) . . ?
O4 K1 N4 122.1(3) . . ?
O6 K1 O2 142.7(3) . . ?
O6 K1 N1 119.1(3) . . ?
O6 K1 N4 60.3(3) . . ?
O10 K1 O2 119.1(3) . . ?
O10 K1 O4 61.4(3) . . ?
O10 K1 O6 94.3(3) . . ?
O10 K1 O14 95.9(3) . . ?
O10 K1 O15 130.0(3) . . ?
O10 K1 N1 121.6(3) . . ?
O10 K1 N4 61.3(3) . . ?
O14 K1 O2 59.5(2) . . ?
O14 K1 O6 104.0(3) . . ?
O14 K1 N1 117.4(3) . . ?
O14 K1 N4 60.7(3) . . ?
O15 K1 O2 103.3(3) . . ?
O15 K1 O4 91.7(3) . . ?
O15 K1 O6 59.5(3) . . ?
O15 K1 O14 129.7(3) . . ?
O15 K1 N1 59.7(3) . . ?
O15 K1 N4 119.4(3) . . ?
N4 K1 N1 177.1(3) . . ?
C6BA O2 K1 116.5(7) . . ?
C6BA O2 C49 112.4(9) . . ?
C49 O2 K1 116.5(7) . . ?
C7BA O4 K1 114.7(7) . . ?
C7BA O4 C29 110.5(10) . . ?
C29 O4 K1 111.3(7) . . ?
C9AA O6 K1 116.4(7) . . ?
C31 O6 K1 113.7(7) . . ?
C31 O6 C9AA 111.0(10) . . ?
C28 O10 K1 113.5(8) . . ?
C47 O10 K1 115.9(7) . . ?
C47 O10 C28 111.8(10) . . ?
C2AA O14 K1 117.2(7) . . ?
C2AA O14 C3BA 109.2(10) . . ?
C3BA O14 K1 113.3(7) . . ?
C1AA O15 K1 121.4(7) . . ?
C52 O15 K1 114.2(8) . . ?
C52 O15 C1AA 111.8(10) . . ?
C1BA N1 K1 107.2(7) . . ?
C1BA N1 C2BA 110.8(10) . . ?
C1BA N1 C24 110.4(10) . . ?
C2BA N1 K1 107.4(7) . . ?
C2BA N1 C24 109.3(10) . . ?
C24 N1 K1 111.6(7) . . ?
C4AA N4 K1 110.0(7) . . ?
C6AA N4 K1 111.4(8) . . ?
C6AA N4 C4AA 107.3(10) . . ?
C6AA N4 C21 110.4(10) . . ?
C21 N4 K1 109.0(8) . . ?
C21 N4 C4AA 108.6(11) . . ?
O15 C1AA H1AA 110.1 . . ?
O15 C1AA H1AB 110.1 . . ?
O15 C1AA C1BA 108.0(11) . . ?
H1AA C1AA H1AB 108.4 . . ?
C1BA C1AA H1AA 110.1 . . ?
C1BA C1AA H1AB 110.1 . . ?
N1 C1BA C1AA 116.4(11) . . ?
N1 C1BA H1BA 108.2 . . ?
N1 C1BA H1BB 108.2 . . ?
C1AA C1BA H1BA 108.2 . . ?
C1AA C1BA H1BB 108.2 . . ?
H1BA C1BA H1BB 107.4 . . ?
O14 C2AA H2AA 109.7 . . ?
O14 C2AA H2AB 109.7 . . ?
O14 C2AA C4AA 109.8(11) . . ?
H2AA C2AA H2AB 108.2 . . ?
C4AA C2AA H2AA 109.7 . . ?
C4AA C2AA H2AB 109.7 . . ?
N1 C2BA H2BA 109.1 . . ?
N1 C2BA H2BB 109.1 . . ?
N1 C2BA C7BA 112.6(10) . . ?
H2BA C2BA H2BB 107.8 . . ?
C7BA C2BA H2BA 109.1 . . ?
C7BA C2BA H2BB 109.1 . . ?
O14 C3BA H3BA 110.0 . . ?
O14 C3BA H3BB 110.0 . . ?
O14 C3BA C49 108.5(11) . . ?
H3BA C3BA H3BB 108.4 . . ?
C49 C3BA H3BA 110.0 . . ?
C49 C3BA H3BB 110.0 . . ?
N4 C4AA C2AA 112.4(10) . . ?
N4 C4AA H4AA 109.1 . . ?
N4 C4AA H4AB 109.1 . . ?
C2AA C4AA H4AA 109.1 . . ?
C2AA C4AA H4AB 109.1 . . ?
H4AA C4AA H4AB 107.9 . . ?
N4 C6AA H6AA 108.7 . . ?
N4 C6AA H6AB 108.7 . . ?
N4 C6AA C31 114.1(11) . . ?
H6AA C6AA H6AB 107.6 . . ?
C31 C6AA H6AA 108.7 . . ?
C31 C6AA H6AB 108.7 . . ?
O2 C6BA H6BA 109.3 . . ?
O2 C6BA H6BB 109.3 . . ?
O2 C6BA C24 111.6(11) . . ?
H6BA C6BA H6BB 108.0 . . ?
C24 C6BA H6BA 109.3 . . ?
C24 C6BA H6BB 109.3 . . ?
O4 C7BA C2BA 108.4(10) . . ?
O4 C7BA H7BA 110.0 . . ?
O4 C7BA H7BB 110.0 . . ?
C2BA C7BA H7BA 110.0 . . ?
C2BA C7BA H7BB 110.0 . . ?
H7BA C7BA H7BB 108.4 . . ?
O6 C9AA H9AA 110.0 . . ?
O6 C9AA H9AB 110.0 . . ?
O6 C9AA C52 108.6(11) . . ?
H9AA C9AA H9AB 108.4 . . ?
C52 C9AA H9AA 110.0 . . ?
C52 C9AA H9AB 110.0 . . ?
N4 C21 H21A 109.2 . . ?
N4 C21 H21B 109.2 . . ?
N4 C21 C47 112.0(12) . . ?
H21A C21 H21B 107.9 . . ?
C47 C21 H21A 109.2 . . ?
C47 C21 H21B 109.2 . . ?
N1 C24 C6BA 112.8(10) . . ?
N1 C24 H24A 109.0 . . ?
N1 C24 H24B 109.0 . . ?
C6BA C24 H24A 109.0 . . ?
C6BA C24 H24B 109.0 . . ?
H24A C24 H24B 107.8 . . ?
O10 C28 H28A 109.8 . . ?
O10 C28 H28B 109.8 . . ?
O10 C28 C29 109.5(12) . . ?
H28A C28 H28B 108.2 . . ?
C29 C28 H28A 109.8 . . ?
C29 C28 H28B 109.8 . . ?
O4 C29 H29A 109.9 . . ?
O4 C29 H29B 109.9 . . ?
C28 C29 O4 108.8(11) . . ?
C28 C29 H29A 109.9 . . ?
C28 C29 H29B 109.9 . . ?
H29A C29 H29B 108.3 . . ?
O6 C31 C6AA 107.9(11) . . ?
O6 C31 H31A 110.1 . . ?
O6 C31 H31B 110.1 . . ?
C6AA C31 H31A 110.1 . . ?
C6AA C31 H31B 110.1 . . ?
H31A C31 H31B 108.4 . . ?
O10 C47 C21 108.8(11) . . ?
O10 C47 H47A 109.9 . . ?
O10 C47 H47B 109.9 . . ?
C21 C47 H47A 109.9 . . ?
C21 C47 H47B 109.9 . . ?
H47A C47 H47B 108.3 . . ?
O2 C49 C3BA 110.7(10) . . ?
O2 C49 H49A 109.5 . . ?
O2 C49 H49B 109.5 . . ?
C3BA C49 H49A 109.5 . . ?
C3BA C49 H49B 109.5 . . ?
H49A C49 H49B 108.1 . . ?
O15 C52 C9AA 110.5(12) . . ?
O15 C52 H52A 109.6 . . ?
O15 C52 H52B 109.6 . . ?
C9AA C52 H52A 109.6 . . ?
C9AA C52 H52B 109.6 . . ?
H52A C52 H52B 108.1 . . ?
O1 K2 O3 59.9(3) . . ?
O1 K2 O16 97.5(3) . . ?
O1 K2 O19 141.5(3) . . ?
O1 K2 N6 120.0(3) . . ?
O1 K2 N51 59.7(3) . . ?
O3 K2 N6 61.6(3) . . ?
O3 K2 N51 117.8(3) . . ?
O11 K2 O1 122.4(3) . . ?
O11 K2 O3 103.6(3) . . ?
O11 K2 O16 134.7(3) . . ?
O11 K2 O19 92.8(3) . . ?
O11 K2 N6 61.5(3) . . ?
O11 K2 N51 120.1(3) . . ?
O16 K2 O3 115.4(3) . . ?
O16 K2 O19 59.8(3) . . ?
O16 K2 N6 118.4(3) . . ?
O16 K2 N51 60.3(3) . . ?
O18 K2 O1 101.7(3) . . ?
O18 K2 O3 146.6(3) . . ?
O18 K2 O11 60.6(3) . . ?
O18 K2 O16 93.4(3) . . ?
O18 K2 O19 109.8(3) . . ?
O18 K2 N6 120.5(3) . . ?
O18 K2 N51 61.0(3) . . ?
O19 K2 O3 99.7(3) . . ?
O19 K2 N6 60.8(3) . . ?
O19 K2 N51 118.3(3) . . ?
N51 K2 N6 178.3(3) . . ?
C5BA O1 K2 117.1(7) . . ?
C56 O1 K2 123.8(8) . . ?
C56 O1 C5BA 111.1(10) . . ?
C4BA O3 K2 115.4(7) . . ?
C7AA O3 K2 113.6(7) . . ?
C7AA O3 C4BA 109.5(9) . . ?
C41 O11 K2 114.3(8) . . ?
C41 O11 C42 109.7(11) . . ?
C42 O11 K2 119.4(8) . . ?
C5AA O16 K2 111.6(7) . . ?
C5AA O16 C30 114.1(10) . . ?
C30 O16 K2 121.0(8) . . ?
C40 O18 K2 120.7(8) . . ?
C40 O18 C46 109.5(11) . . ?
C46 O18 K2 117.6(8) . . ?
C32 O19 K2 116.0(7) . . ?
C32 O19 C54 110.2(10) . . ?
C54 O19 K2 116.4(7) . . ?
C8AA N6 K2 111.2(8) . . ?
C8AA N6 C8BA 110.8(11) . . ?
C8AA N6 C57 109.9(11) . . ?
C8BA N6 K2 108.5(8) . . ?
C8BA N6 C57 109.5(11) . . ?
C57 N6 K2 106.8(8) . . ?
C25 N51 K2 106.7(8) . . ?
C38 N51 K2 107.6(9) . . ?
C38 N51 C25 109.7(11) . . ?
C38 N51 C55 112.8(12) . . ?
C55 N51 K2 107.3(8) . . ?
C55 N51 C25 112.4(11) . . ?
O3 C4BA H4BA 110.1 . . ?
O3 C4BA H4BB 110.1 . . ?
O3 C4BA C5BA 108.1(9) . . ?
H4BA C4BA H4BB 108.4 . . ?
C5BA C4BA H4BA 110.1 . . ?
C5BA C4BA H4BB 110.1 . . ?
O16 C5AA H5AA 109.4 . . ?
O16 C5AA H5AB 109.4 . . ?
O16 C5AA C54 111.2(11) . . ?
H5AA C5AA H5AB 108.0 . . ?
C54 C5AA H5AA 109.4 . . ?
C54 C5AA H5AB 109.4 . . ?
O1 C5BA C4BA 111.2(10) . . ?
O1 C5BA H5BA 109.4 . . ?
O1 C5BA H5BB 109.4 . . ?
C4BA C5BA H5BA 109.4 . . ?
C4BA C5BA H5BB 109.4 . . ?
H5BA C5BA H5BB 108.0 . . ?
O3 C7AA H7AA 109.7 . . ?
O3 C7AA H7AB 109.7 . . ?
O3 C7AA C8BA 109.8(11) . . ?
H7AA C7AA H7AB 108.2 . . ?
C8BA C7AA H7AA 109.7 . . ?
C8BA C7AA H7AB 109.7 . . ?
N6 C8AA H8AA 108.7 . . ?
N6 C8AA H8AB 108.7 . . ?
N6 C8AA C32 114.4(11) . . ?
H8AA C8AA H8AB 107.6 . . ?
C32 C8AA H8AA 108.7 . . ?
C32 C8AA H8AB 108.7 . . ?
N6 C8BA H8BA 108.4 . . ?
N6 C8BA H8BB 108.4 . . ?
C7AA C8BA N6 115.5(12) . . ?
C7AA C8BA H8BA 108.4 . . ?
C7AA C8BA H8BB 108.4 . . ?
H8BA C8BA H8BB 107.5 . . ?
N51 C25 H25A 108.4 . . ?
N51 C25 H25B 108.4 . . ?
H25A C25 H25B 107.4 . . ?
C56 C25 N51 115.7(12) . . ?
C56 C25 H25A 108.4 . . ?
C56 C25 H25B 108.4 . . ?
O16 C30 H30A 110.0 . . ?
O16 C30 H30B 110.0 . . ?
O16 C30 C38 108.6(11) . . ?
H30A C30 H30B 108.4 . . ?
C38 C30 H30A 110.0 . . ?
C38 C30 H30B 110.0 . . ?
O19 C32 C8AA 109.4(11) . . ?
O19 C32 H32A 109.8 . . ?
O19 C32 H32B 109.8 . . ?
C8AA C32 H32A 109.8 . . ?
C8AA C32 H32B 109.8 . . ?
H32A C32 H32B 108.2 . . ?
N51 C38 C30 113.4(12) . . ?
N51 C38 H38A 108.9 . . ?
N51 C38 H38B 108.9 . . ?
C30 C38 H38A 108.9 . . ?
C30 C38 H38B 108.9 . . ?
H38A C38 H38B 107.7 . . ?
O18 C40 H40A 110.4 . . ?
O18 C40 H40B 110.4 . . ?
O18 C40 C55 106.8(12) . . ?
H40A C40 H40B 108.6 . . ?
C55 C40 H40A 110.4 . . ?
C55 C40 H40B 110.4 . . ?
O11 C41 H41A 109.4 . . ?
O11 C41 H41B 109.4 . . ?
O11 C41 C46 111.3(11) . . ?
H41A C41 H41B 108.0 . . ?
C46 C41 H41A 109.4 . . ?
C46 C41 H41B 109.4 . . ?
O11 C42 H42A 110.2 . . ?
O11 C42 H42B 110.2 . . ?
O11 C42 C57 107.7(12) . . ?
H42A C42 H42B 108.5 . . ?
C57 C42 H42A 110.2 . . ?
C57 C42 H42B 110.2 . . ?
O18 C46 C41 107.5(11) . . ?
O18 C46 H46A 110.2 . . ?
O18 C46 H46B 110.2 . . ?
C41 C46 H46A 110.2 . . ?
C41 C46 H46B 110.2 . . ?
H46A C46 H46B 108.5 . . ?
O19 C54 C5AA 109.0(12) . . ?
O19 C54 H54A 109.9 . . ?
O19 C54 H54B 109.9 . . ?
C5AA C54 H54A 109.9 . . ?
C5AA C54 H54B 109.9 . . ?
H54A C54 H54B 108.3 . . ?
N51 C55 C40 115.3(12) . . ?
N51 C55 H55A 108.5 . . ?
N51 C55 H55B 108.5 . . ?
C40 C55 H55A 108.5 . . ?
C40 C55 H55B 108.5 . . ?
H55A C55 H55B 107.5 . . ?
O1 C56 C25 108.5(11) . . ?
O1 C56 H56A 110.0 . . ?
O1 C56 H56B 110.0 . . ?
C25 C56 H56A 110.0 . . ?
C25 C56 H56B 110.0 . . ?
H56A C56 H56B 108.4 . . ?
N6 C57 C42 113.3(12) . . ?
N6 C57 H57A 108.9 . . ?
N6 C57 H57B 108.9 . . ?
C42 C57 H57A 108.9 . . ?
C42 C57 H57B 108.9 . . ?
H57A C57 H57B 107.7 . . ?
O8 K3 O9 133.8(3) . . ?
O8 K3 O12 99.6(3) . . ?
O8 K3 O13 124.7(3) . . ?
O8 K3 O17 98.3(3) . . ?
O8 K3 O101 58.8(3) . . ?
O8 K3 N7 118.1(3) . . ?
O8 K3 N8 60.7(3) . . ?
O9 K3 O12 60.3(3) . . ?
O9 K3 O17 123.1(3) . . ?
O9 K3 O101 101.3(3) . . ?
O9 K3 N7 60.3(3) . . ?
O9 K3 N8 120.3(3) . . ?
O12 K3 O17 95.5(3) . . ?
O12 K3 O101 130.9(3) . . ?
O12 K3 N7 120.4(3) . . ?
O12 K3 N8 60.2(3) . . ?
O13 K3 O9 95.2(3) . . ?
O13 K3 O12 130.8(3) . . ?
O13 K3 O17 61.1(3) . . ?
O13 K3 O101 93.2(3) . . ?
O13 K3 N7 59.2(3) . . ?
O13 K3 N8 121.4(3) . . ?
O17 K3 O101 128.6(3) . . ?
O17 K3 N7 120.1(3) . . ?
O17 K3 N8 60.6(3) . . ?
O101 K3 N7 59.3(3) . . ?
O101 K3 N8 119.5(3) . . ?
N8 K3 N7 178.8(3) . . ?
C3AA O8 K3 123.9(8) . . ?
C3AA O8 C53 113.5(10) . . ?
C53 O8 K3 116.4(7) . . ?
C35 O9 K3 111.8(7) . . ?
C39 O9 K3 113.0(7) . . ?
C39 O9 C35 110.6(10) . . ?
C0AA O12 K3 113.4(8) . . ?
C0AA O12 C51 114.1(10) . . ?
C51 O12 K3 112.7(7) . . ?
C23 O13 K3 115.5(8) . . ?
C23 O13 C48 112.2(11) . . ?
C48 O13 K3 113.4(8) . . ?
C37 O17 K3 112.7(8) . . ?
C37 O17 C58 112.0(11) . . ?
C58 O17 K3 110.0(8) . . ?
C22 O101 K3 108.6(7) . . ?
C36 O101 K3 116.0(7) . . ?
C36 O101 C22 111.5(10) . . ?
C0BA N7 K3 110.3(7) . . ?
C26 N7 K3 109.7(8) . . ?
C26 N7 C0BA 111.2(10) . . ?
C26 N7 C33 109.1(10) . . ?
C33 N7 K3 109.1(7) . . ?
C33 N7 C0BA 107.5(10) . . ?
C27 N8 K3 109.3(8) . . ?
C27 N8 C34 111.9(11) . . ?
C27 N8 C44 110.4(11) . . ?
C34 N8 K3 107.1(8) . . ?
C34 N8 C44 108.7(11) . . ?
C44 N8 K3 109.3(8) . . ?
O12 C0AA H0AA 109.9 . . ?
O12 C0AA H0AB 109.9 . . ?
O12 C0AA C39 108.8(11) . . ?
H0AA C0AA H0AB 108.3 . . ?
C39 C0AA H0AA 109.9 . . ?
C39 C0AA H0AB 109.9 . . ?
N7 C0BA H0BA 109.7 . . ?
N7 C0BA H0BB 109.7 . . ?
N7 C0BA C36 110.0(11) . . ?
H0BA C0BA H0BB 108.2 . . ?
C36 C0BA H0BA 109.7 . . ?
C36 C0BA H0BB 109.7 . . ?
O8 C3AA H3AA 110.2 . . ?
O8 C3AA H3AB 110.2 . . ?
O8 C3AA C22 107.7(11) . . ?
H3AA C3AA H3AB 108.5 . . ?
C22 C3AA H3AA 110.2 . . ?
C22 C3AA H3AB 110.2 . . ?
O101 C22 C3AA 108.5(11) . . ?
O101 C22 H22A 110.0 . . ?
O101 C22 H22B 110.0 . . ?
C3AA C22 H22A 110.0 . . ?
C3AA C22 H22B 110.0 . . ?
H22A C22 H22B 108.4 . . ?
O13 C23 H23A 109.9 . . ?
O13 C23 H23B 109.9 . . ?
O13 C23 C26 109.0(11) . . ?
H23A C23 H23B 108.3 . . ?
C26 C23 H23A 109.9 . . ?
C26 C23 H23B 109.9 . . ?
N7 C26 C23 111.8(11) . . ?
N7 C26 H26A 109.3 . . ?
N7 C26 H26B 109.3 . . ?
C23 C26 H26A 109.3 . . ?
C23 C26 H26B 109.3 . . ?
H26A C26 H26B 107.9 . . ?
N8 C27 H27A 109.3 . . ?
N8 C27 H27B 109.3 . . ?
N8 C27 C51 111.8(12) . . ?
H27A C27 H27B 107.9 . . ?
C51 C27 H27A 109.3 . . ?
C51 C27 H27B 109.3 . . ?
N7 C33 H33A 109.5 . . ?
N7 C33 H33B 109.5 . . ?
N7 C33 C35 110.7(11) . . ?
H33A C33 H33B 108.1 . . ?
C35 C33 H33A 109.5 . . ?
C35 C33 H33B 109.5 . . ?
N8 C34 H34A 108.7 . . ?
N8 C34 H34B 108.7 . . ?
N8 C34 C53 114.2(11) . . ?
H34A C34 H34B 107.6 . . ?
C53 C34 H34A 108.7 . . ?
C53 C34 H34B 108.7 . . ?
O9 C35 C33 109.5(10) . . ?
O9 C35 H35A 109.8 . . ?
O9 C35 H35B 109.8 . . ?
C33 C35 H35A 109.8 . . ?
C33 C35 H35B 109.8 . . ?
H35A C35 H35B 108.2 . . ?
O101 C36 C0BA 108.7(10) . . ?
O101 C36 H36A 110.0 . . ?
O101 C36 H36B 110.0 . . ?
C0BA C36 H36A 110.0 . . ?
C0BA C36 H36B 110.0 . . ?
H36A C36 H36B 108.3 . . ?
O17 C37 H37A 109.7 . . ?
O17 C37 H37B 109.7 . . ?
O17 C37 C48 109.7(12) . . ?
H37A C37 H37B 108.2 . . ?
C48 C37 H37A 109.7 . . ?
C48 C37 H37B 109.7 . . ?
O9 C39 C0AA 109.7(11) . . ?
O9 C39 H39A 109.7 . . ?
O9 C39 H39B 109.7 . . ?
C0AA C39 H39A 109.7 . . ?
C0AA C39 H39B 109.7 . . ?
H39A C39 H39B 108.2 . . ?
N8 C44 H44A 109.5 . . ?
N8 C44 H44B 109.5 . . ?
N8 C44 C58 110.8(12) . . ?
H44A C44 H44B 108.1 . . ?
C58 C44 H44A 109.5 . . ?
C58 C44 H44B 109.5 . . ?
O13 C48 C37 110.9(12) . . ?
O13 C48 H48A 109.5 . . ?
O13 C48 H48B 109.5 . . ?
C37 C48 H48A 109.5 . . ?
C37 C48 H48B 109.5 . . ?
H48A C48 H48B 108.0 . . ?
O12 C51 C27 109.5(11) . . ?
O12 C51 H51A 109.8 . . ?
O12 C51 H51B 109.8 . . ?
C27 C51 H51A 109.8 . . ?
C27 C51 H51B 109.8 . . ?
H51A C51 H51B 108.2 . . ?
O8 C53 C34 109.2(12) . . ?
O8 C53 H53A 109.8 . . ?
O8 C53 H53B 109.8 . . ?
C34 C53 H53A 109.8 . . ?
C34 C53 H53B 109.8 . . ?
H53A C53 H53B 108.3 . . ?
O17 C58 C44 112.1(12) . . ?
O17 C58 H58A 109.2 . . ?
O17 C58 H58B 109.2 . . ?
C44 C58 H58A 109.2 . . ?
C44 C58 H58B 109.2 . . ?
H58A C58 H58B 107.9 . . ?
H2A N2 H2B 120.0 . . ?
C43 N2 H2A 120.0 . . ?
C43 N2 H2B 120.0 . . ?
H3A N3 H3B 120.0 . . ?
C9BA N3 H3A 120.0 . . ?
C9BA N3 H3B 120.0 . . ?
N3 C9BA H9BA 109.1 . . ?
N3 C9BA H9BB 109.1 . . ?
N3 C9BA C43 112.3(12) . . ?
H9BA C9BA H9BB 107.9 . . ?
C43 C9BA H9BA 109.1 . . ?
C43 C9BA H9BB 109.1 . . ?
N2 C43 C9BA 109.3(13) . . ?
N2 C43 H43A 109.8 . . ?
N2 C43 H43B 109.8 . . ?
C9BA C43 H43A 109.8 . . ?
C9BA C43 H43B 109.8 . . ?
H43A C43 H43B 108.3 . . ?

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
K1 O2 C6BA C24 -56.2(12) . . . . ?
K1 O2 C49 C3BA 39.2(13) . . . . ?
K1 O4 C7BA C2BA -59.1(11) . . . . ?
K1 O4 C29 C28 50.9(13) . . . . ?
K1 O6 C9AA C52 41.2(13) . . . . ?
K1 O6 C31 C6AA -59.7(11) . . . . ?
K1 O10 C28 C29 50.3(13) . . . . ?
K1 O10 C47 C21 -55.3(13) . . . . ?
K1 O14 C2AA C4AA -49.8(12) . . . . ?
K1 O14 C3BA C49 55.7(12) . . . . ?
K1 O15 C1AA C1BA -42.2(13) . . . . ?
K1 O15 C52 C9AA 53.8(13) . . . . ?
K1 N1 C1BA C1AA -47.8(13) . . . . ?
K1 N1 C2BA C7BA -41.0(11) . . . . ?
K1 N1 C24 C6BA -34.9(13) . . . . ?
K1 N4 C4AA C2AA -44.0(13) . . . . ?
K1 N4 C6AA C31 -33.8(13) . . . . ?
K1 N4 C21 C47 -41.9(12) . . . . ?
O2 C6BA C24 N1 61.5(15) . . . . ?
O6 C9AA C52 O15 -63.0(15) . . . . ?
O10 C28 C29 O4 -68.8(15) . . . . ?
O14 C2AA C4AA N4 64.0(15) . . . . ?
O14 C3BA C49 O2 -63.2(14) . . . . ?
O15 C1AA C1BA N1 62.2(15) . . . . ?
N1 C2BA C7BA O4 69.8(13) . . . . ?
N4 C6AA C31 O6 63.4(14) . . . . ?
N4 C21 C47 O10 66.5(15) . . . . ?
C1AA O15 C52 C9AA -163.5(11) . . . . ?
C1BA N1 C2BA C7BA -157.8(10) . . . . ?
C1BA N1 C24 C6BA 84.3(14) . . . . ?
C2AA O14 C3BA C49 -171.8(11) . . . . ?
C2BA N1 C1BA C1AA 69.1(14) . . . . ?
C2BA N1 C24 C6BA -153.5(11) . . . . ?
C3BA O14 C2AA C4AA 179.7(11) . . . . ?
C4AA N4 C6AA C31 86.7(13) . . . . ?
C4AA N4 C21 C47 -161.9(11) . . . . ?
C6AA N4 C4AA C2AA -165.4(11) . . . . ?
C6AA N4 C21 C47 80.8(13) . . . . ?
C6BA O2 C49 C3BA 177.4(11) . . . . ?
C7BA O4 C29 C28 179.6(12) . . . . ?
C9AA O6 C31 C6AA 166.8(10) . . . . ?
C21 N4 C4AA C2AA 75.2(14) . . . . ?
C21 N4 C6AA C31 -155.1(12) . . . . ?
C24 N1 C1BA C1AA -169.7(11) . . . . ?
C24 N1 C2BA C7BA 80.3(13) . . . . ?
C28 O10 C47 C21 172.5(11) . . . . ?
C29 O4 C7BA C2BA 174.1(10) . . . . ?
C31 O6 C9AA C52 173.4(11) . . . . ?
C47 O10 C28 C29 -176.3(12) . . . . ?
C49 O2 C6BA C24 165.6(11) . . . . ?
C52 O15 C1AA C1BA 178.1(11) . . . . ?
K2 O1 C5BA C4BA 46.6(12) . . . . ?
K2 O1 C56 C25 -28.6(16) . . . . ?
K2 O3 C4BA C5BA 45.5(12) . . . . ?
K2 O3 C7AA C8BA -52.0(13) . . . . ?
K2 O11 C41 C46 49.0(13) . . . . ?
K2 O11 C42 C57 -44.0(14) . . . . ?
K2 O16 C5AA C54 55.9(12) . . . . ?
K2 O16 C30 C38 -30.0(15) . . . . ?
K2 O18 C40 C55 -41.0(14) . . . . ?
K2 O18 C46 C41 43.2(13) . . . . ?
K2 O19 C32 C8AA -50.2(12) . . . . ?
K2 O19 C54 C5AA 39.7(13) . . . . ?
K2 N6 C8AA C32 -40.4(14) . . . . ?
K2 N6 C8BA C7AA -42.3(13) . . . . ?
K2 N6 C57 C42 -50.8(13) . . . . ?
K2 N51 C25 C56 -54.1(14) . . . . ?
K2 N51 C38 C30 -57.3(14) . . . . ?
K2 N51 C55 C40 -50.8(13) . . . . ?
O3 C4BA C5BA O1 -60.8(13) . . . . ?
O3 C7AA C8BA N6 66.4(15) . . . . ?
O11 C41 C46 O18 -61.0(15) . . . . ?
O11 C42 C57 N6 65.4(16) . . . . ?
O16 C5AA C54 O19 -64.9(14) . . . . ?
O16 C30 C38 N51 60.4(17) . . . . ?
O18 C40 C55 N51 63.0(15) . . . . ?
N6 C8AA C32 O19 62.4(15) . . . . ?
N51 C25 C56 O1 56.8(16) . . . . ?
C4BA O3 C7AA C8BA 177.4(11) . . . . ?
C5AA O16 C30 C38 -167.6(12) . . . . ?
C5BA O1 C56 C25 -176.4(11) . . . . ?
C7AA O3 C4BA C5BA 175.1(11) . . . . ?
C8AA N6 C8BA C7AA -164.7(12) . . . . ?
C8AA N6 C57 C42 69.9(15) . . . . ?
C8BA N6 C8AA C32 80.4(14) . . . . ?
C8BA N6 C57 C42 -168.2(12) . . . . ?
C25 N51 C38 C30 -173.0(12) . . . . ?
C25 N51 C55 C40 66.2(15) . . . . ?
C30 O16 C5AA C54 -162.5(12) . . . . ?
C32 O19 C54 C5AA 174.5(11) . . . . ?
C38 N51 C25 C56 62.1(16) . . . . ?
C38 N51 C55 C40 -169.1(12) . . . . ?
C40 O18 C46 C41 -174.0(11) . . . . ?
C41 O11 C42 C57 -178.8(11) . . . . ?
C42 O11 C41 C46 -173.7(12) . . . . ?
C46 O18 C40 C55 177.5(11) . . . . ?
C54 O19 C32 C8AA 174.9(10) . . . . ?
C55 N51 C25 C56 -171.5(12) . . . . ?
C55 N51 C38 C30 60.8(16) . . . . ?
C56 O1 C5BA C4BA -163.2(11) . . . . ?
C57 N6 C8AA C32 -158.5(12) . . . . ?
C57 N6 C8BA C7AA 73.9(15) . . . . ?
K3 O8 C3AA C22 -32.4(13) . . . . ?
K3 O8 C53 C34 59.1(13) . . . . ?
K3 O9 C35 C33 66.4(11) . . . . ?
K3 O9 C39 C0AA -50.5(12) . . . . ?
K3 O12 C0AA C39 -49.5(13) . . . . ?
K3 O12 C51 C27 61.5(12) . . . . ?
K3 O13 C23 C26 62.3(12) . . . . ?
K3 O13 C48 C37 -46.7(13) . . . . ?
K3 O17 C37 C48 -50.0(13) . . . . ?
K3 O17 C58 C44 65.8(12) . . . . ?
K3 O101 C22 C3AA -59.2(11) . . . . ?
K3 O101 C36 C0BA 57.3(12) . . . . ?
K3 N7 C0BA C36 43.8(11) . . . . ?
K3 N7 C26 C23 35.7(12) . . . . ?
K3 N7 C33 C35 34.2(11) . . . . ?
K3 N8 C27 C51 39.0(13) . . . . ?
K3 N8 C34 C53 36.7(14) . . . . ?
K3 N8 C44 C58 32.9(13) . . . . ?
O8 C3AA C22 O101 61.2(14) . . . . ?
O12 C0AA C39 O9 68.5(14) . . . . ?
O13 C23 C26 N7 -65.9(14) . . . . ?
O17 C37 C48 O13 66.3(15) . . . . ?
N7 C0BA C36 O101 -68.8(14) . . . . ?
N7 C33 C35 O9 -69.1(13) . . . . ?
N8 C27 C51 O12 -69.5(15) . . . . ?
N8 C34 C53 O8 -64.7(15) . . . . ?
N8 C44 C58 O17 -69.2(15) . . . . ?
C0AA O12 C51 C27 -167.3(12) . . . . ?
C0BA N7 C26 C23 157.9(11) . . . . ?
C0BA N7 C33 C35 -85.4(12) . . . . ?
C3AA O8 C53 C34 -147.4(11) . . . . ?
C22 O101 C36 C0BA -177.8(11) . . . . ?
C23 O13 C48 C37 -179.9(11) . . . . ?
C26 N7 C0BA C36 -78.1(13) . . . . ?
C26 N7 C33 C35 153.9(11) . . . . ?
C27 N8 C34 C53 -83.0(15) . . . . ?
C27 N8 C44 C58 153.1(12) . . . . ?
C33 N7 C0BA C36 162.6(10) . . . . ?
C33 N7 C26 C23 -83.7(13) . . . . ?
C34 N8 C27 C51 157.5(12) . . . . ?
C34 N8 C44 C58 -83.7(14) . . . . ?
C35 O9 C39 C0AA -176.7(11) . . . . ?
C36 O101 C22 C3AA 171.8(11) . . . . ?
C37 O17 C58 C44 -168.2(11) . . . . ?
C39 O9 C35 C33 -166.7(11) . . . . ?
C44 N8 C27 C51 -81.2(15) . . . . ?
C44 N8 C34 C53 154.7(12) . . . . ?
C48 O13 C23 C26 -165.6(11) . . . . ?
C51 O12 C0AA C39 179.7(11) . . . . ?
C53 O8 C3AA C22 176.4(11) . . . . ?
C58 O17 C37 C48 -174.5(11) . . . . ?
N3 C9BA C43 N2 -174.8(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.766(2)
2 0.234(2)

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 1847078'
loop_
_audit_author_name
_audit_author_address
'Liu Chao'
;CIAC
China
;
_audit_update_record             
;
2018-06-02 deposited with the CCDC.	2019-03-11 downloaded from the CCDC.
;
_audit_creation_date             2018-05-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.18 svn.r3508 for OlexSys, GUI svn.r5497)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(Rh0.17 Sn2), C18 H36 K N2 O6, C7 H8'
_chemical_formula_sum            'C25 H44 K N2 O6 Rh0.33 Sn4'
_chemical_formula_weight         1016.78
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 '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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 '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'

_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.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_space_group_name_Hall           '-R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   24.749(3)
_cell_length_b                   24.749
_cell_length_c                   29.868(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     15843(4)
_cell_formula_units_Z            18
_cell_measurement_reflns_used    5625
_cell_measurement_temperature    120.15
_cell_measurement_theta_max      26.09
_cell_measurement_theta_min      1.82
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.110
_exptl_absorpt_correction_T_max  0.714
_exptl_absorpt_correction_T_min  0.450
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark black'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.918
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             8820
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   26.106
_exptl_transmission_factor_min   1.395
_diffrn_reflns_av_R_equivalents  0.0959
_diffrn_reflns_av_unetI/netI     0.0706
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            33324
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.070
_diffrn_reflns_theta_min         1.646
_diffrn_ambient_temperature      120.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5183
_reflns_number_total             6961
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         2.658
_refine_diff_density_min         -1.101
_refine_diff_density_rms         0.183
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     348
_refine_ls_number_reflns         6961
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0638
_refine_ls_R_factor_gt           0.0427
_refine_ls_restrained_S_all      1.045
_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)+(0.0320P)²+10.0050P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0875
_refine_ls_wR_factor_ref         0.0973
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1AA(H1AA,H1AB), C2AA(H2AA,H2AB), C3AA(H3AA,H3AB), C4AA(H4AA,H4AB), C6AA(H6AA,
 H6AB), C8AA(H8AA,H8AB), C9AA(H9AA,H9AB), C0BA(H0BA,H0BB), C1BA(H1BA,H1BB),
 C0AA(H0AA,H0AB), C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,
 H5B), C7(H7A,H7B), C8(H8A,H8B), C12(H12A,H12B)
2.b Aromatic/amide H refined with riding coordinates:
 C7AA(H7AA), C9(H9), C2BA(H2BA), C5AA(H5AA), C3BA(H3BA)
2.c Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
Sn1 Sn 0.21130(2) 0.64833(2) 0.14752(2) 0.01791(12) Uani 1 1 d . . . . .
Sn3 Sn 0.06136(2) -0.01664(2) 0.07778(2) 0.01788(12) Uani 1 1 d . . . . .
Sn2 Sn 0.26846(2) 0.59090(2) 0.08731(2) 0.01896(12) Uani 1 1 d . . . . .
Sn4 Sn 0.12647(2) 0.10034(2) 0.01835(2) 0.01882(12) Uani 1 1 d . . . . .
Rh2 Rh 0.0000 0.0000 0.0000 0.0128(3) Uani 1 6 d S T P . .
Rh1 Rh 0.3333 0.6667 0.1667 0.0117(3) Uani 1 6 d S T P . .
K7 K 0.00186(6) 0.75505(6) 0.23707(4) 0.0154(3) Uani 1 1 d . . . . .
O2 O -0.0636(2) 0.7580(2) 0.15970(14) 0.0212(10) Uani 1 1 d . . . . .
O3 O -0.0818(2) 0.6324(2) 0.26292(15) 0.0228(11) Uani 1 1 d . . . . .
O4 O 0.0837(2) 0.7232(2) 0.19731(14) 0.0199(10) Uani 1 1 d . . . . .
O5 O -0.0088(2) 0.8605(2) 0.22144(15) 0.0241(11) Uani 1 1 d . . . . .
O6 O 0.12998(19) 0.8171(2) 0.26536(14) 0.0194(10) Uani 1 1 d . . . . .
N7 N -0.0477(2) 0.6488(2) 0.16771(17) 0.0181(12) Uani 1 1 d . . . . .
O8 O -0.0423(2) 0.7326(2) 0.32435(14) 0.0207(10) Uani 1 1 d . . . . .
C1AA C -0.0677(3) 0.6688(3) 0.3374(2) 0.0249(16) Uani 1 1 d . . . . .
H1AA H -0.0879 0.6619 0.3664 0.030 Uiso 1 1 calc R . . . .
H1AB H -0.0346 0.6588 0.3399 0.030 Uiso 1 1 calc R . . . .
C2AA C -0.0843(3) 0.5887(3) 0.1912(2) 0.0251(16) Uani 1 1 d . . . . .
H2AA H -0.0561 0.5756 0.2029 0.030 Uiso 1 1 calc R . . . .
H2AB H -0.1120 0.5574 0.1700 0.030 Uiso 1 1 calc R . . . .
C3AA C -0.0456(4) 0.8210(3) 0.1488(2) 0.0294(18) Uani 1 1 d . . . . .
H3AA H -0.0711 0.8215 0.1243 0.035 Uiso 1 1 calc R . . . .
H3AB H -0.0024 0.8430 0.1392 0.035 Uiso 1 1 calc R . . . .
N1 N 0.0533(2) 0.8637(2) 0.30504(18) 0.0196(12) Uani 1 1 d . . . . .
C4AA C 0.1683(3) 0.8074(3) 0.2346(2) 0.0246(17) Uani 1 1 d . . . . .
H4AA H 0.2089 0.8210 0.2478 0.030 Uiso 1 1 calc R . . . .
H4AB H 0.1743 0.8316 0.2076 0.030 Uiso 1 1 calc R . . . .
C6AA C -0.1225(3) 0.5924(3) 0.2291(2) 0.0258(17) Uani 1 1 d . . . . .
H6AA H -0.1486 0.6085 0.2182 0.031 Uiso 1 1 calc R . . . .
H6AB H -0.1493 0.5511 0.2414 0.031 Uiso 1 1 calc R . . . .
C7AA C 0.8491(3) 0.7326(3) 0.4057(2) 0.0265(17) Uani 1 1 d . . . . .
H7AA H 0.8688 0.7758 0.4040 0.032 Uiso 1 1 calc R . . . .
C8AA C 0.1535(3) 0.8807(3) 0.2759(2) 0.0240(16) Uani 1 1 d . . . . .
H8AA H 0.1485 0.9021 0.2504 0.029 Uiso 1 1 calc R . . . .
H8AB H 0.1976 0.9003 0.2828 0.029 Uiso 1 1 calc R . . . .
C9AA C 0.1192(3) 0.8854(3) 0.3149(2) 0.0229(16) Uani 1 1 d . . . . .
H9AA H 0.1216 0.8609 0.3394 0.028 Uiso 1 1 calc R . . . .
H9AB H 0.1392 0.9286 0.3247 0.028 Uiso 1 1 calc R . . . .
C0BA C 0.1378(3) 0.7400(3) 0.2232(2) 0.0250(17) Uani 1 1 d . . . . .
H0BA H 0.1665 0.7318 0.2064 0.030 Uiso 1 1 calc R . . . .
H0BB H 0.1265 0.7154 0.2505 0.030 Uiso 1 1 calc R . . . .
C1BA C 0.0071(3) 0.6515(3) 0.1467(2) 0.0242(16) Uani 1 1 d . . . . .
H1BA H 0.0240 0.6848 0.1248 0.029 Uiso 1 1 calc R . . . .
H1BB H -0.0059 0.6126 0.1310 0.029 Uiso 1 1 calc R . . . .
C0AA C 0.0473(3) 0.9154(3) 0.2863(2) 0.0247(16) Uani 1 1 d . . . . .
H0AA H 0.0834 0.9408 0.2677 0.030 Uiso 1 1 calc R . . . .
H0AB H 0.0474 0.9413 0.3107 0.030 Uiso 1 1 calc R . . . .
C1 C 0.0574(3) 0.6621(3) 0.1794(2) 0.0249(16) Uani 1 1 d . . . . .
H1A H 0.0402 0.6317 0.2034 0.030 Uiso 1 1 calc R . . . .
H1B H 0.0895 0.6572 0.1645 0.030 Uiso 1 1 calc R . . . .
C2 C -0.0009(3) 0.7747(3) 0.3575(2) 0.0263(17) Uani 1 1 d . . . . .
H2A H 0.0370 0.7722 0.3587 0.032 Uiso 1 1 calc R . . . .
H2B H -0.0206 0.7636 0.3867 0.032 Uiso 1 1 calc R . . . .
C3 C -0.0591(3) 0.7254(3) 0.1224(2) 0.0244(16) Uani 1 1 d . . . . .
H3A H -0.0159 0.7433 0.1134 0.029 Uiso 1 1 calc R . . . .
H3B H -0.0824 0.7286 0.0974 0.029 Uiso 1 1 calc R . . . .
C4 C -0.1136(3) 0.6285(3) 0.3032(2) 0.0255(16) Uani 1 1 d . . . . .
H4A H -0.1358 0.5856 0.3136 0.031 Uiso 1 1 calc R . . . .
H4B H -0.1438 0.6419 0.2981 0.031 Uiso 1 1 calc R . . . .
C5 C -0.0853(3) 0.6582(3) 0.1351(2) 0.0245(16) Uani 1 1 d . . . . .
H5A H -0.1270 0.6423 0.1470 0.029 Uiso 1 1 calc R . . . .
H5B H -0.0887 0.6343 0.1084 0.029 Uiso 1 1 calc R . . . .
C6 C 0.8071(3) 0.6968(4) 0.3729(2) 0.0283(17) Uani 1 1 d . . . . .
C7 C -0.0106(4) 0.8947(3) 0.2588(2) 0.0317(19) Uani 1 1 d . . . . .
H7A H -0.0472 0.8688 0.2768 0.038 Uiso 1 1 calc R . . . .
H7B H -0.0129 0.9308 0.2488 0.038 Uiso 1 1 calc R . . . .
C8 C 0.0143(3) 0.8388(3) 0.3457(2) 0.0268(17) Uani 1 1 d . . . . .
H8A H -0.0243 0.8393 0.3411 0.032 Uiso 1 1 calc R . . . .
H8B H 0.0360 0.8663 0.3706 0.032 Uiso 1 1 calc R . . . .
C9 C 0.7795(3) 0.6322(4) 0.3765(3) 0.0320(19) Uani 1 1 d . . . . .
H9 H 0.7514 0.6071 0.3546 0.038 Uiso 1 1 calc R . . . .
C12 C -0.0532(4) 0.8530(3) 0.1882(2) 0.0333(19) Uani 1 1 d . . . . .
H12A H -0.0469 0.8935 0.1794 0.040 Uiso 1 1 calc R . . . .
H12B H -0.0951 0.8286 0.2001 0.040 Uiso 1 1 calc R . . . .
C13 C 0.7949(5) 0.7275(5) 0.3340(3) 0.053(3) Uani 1 1 d . . . . .
H13A H 0.7831 0.7567 0.3449 0.080 Uiso 1 1 calc GR . . . .
H13B H 0.7618 0.6964 0.3161 0.080 Uiso 1 1 calc GR . . . .
H13C H 0.8320 0.7492 0.3163 0.080 Uiso 1 1 calc GR . . . .
C2BA C 0.8341(3) 0.6412(3) 0.4439(2) 0.0282(17) Uani 1 1 d . . . . .
H2BA H 0.8432 0.6229 0.4677 0.034 Uiso 1 1 calc R . . . .
C5AA C 0.7926(3) 0.6046(3) 0.4114(3) 0.0321(19) Uani 1 1 d . . . . .
H5AA H 0.7735 0.5614 0.4131 0.039 Uiso 1 1 calc R . . . .
C3BA C 0.8624(3) 0.7052(3) 0.4410(2) 0.0270(17) Uani 1 1 d . . . . .
H3BA H 0.8905 0.7301 0.4630 0.032 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Sn1 Sn1 3.0437(5) 14_455 ?
Sn1 Sn1 3.0438(5) 15 ?
Sn1 Sn2 3.0621(7) 3_565 ?
Sn1 Sn2 3.0439(7) . ?
Sn1 Sn2 3.1289(7) 14_455 ?
Sn1 Rh1 2.8781(5) . ?
Sn3 Sn3 3.0501(8) 2 ?
Sn3 Sn3 3.0501(8) 3 ?
Sn3 Sn4 3.0564(6) 3 ?
Sn3 Sn4 3.0764(6) . ?
Sn3 Sn4 3.0750(7) 11 ?
Sn3 Rh2 2.9151(5) . ?
Sn2 Sn1 3.1289(7) 15 ?
Sn2 Sn1 3.0621(7) 2_665 ?
Sn2 Sn2 3.0411(8) 3_565 ?
Sn2 Sn2 3.0413(8) 2_665 ?
Sn2 Rh1 2.9498(5) . ?
Sn4 Sn3 3.0750(7) 12 ?
Sn4 Sn3 3.0564(7) 2 ?
Sn4 Sn4 3.0646(5) 11 ?
Sn4 Sn4 3.0646(6) 12 ?
Sn4 Rh2 2.9139(5) . ?
Rh2 Sn3 2.9152(5) 12 ?
Rh2 Sn3 2.9152(5) 2 ?
Rh2 Sn3 2.9152(5) 10 ?
Rh2 Sn3 2.9152(5) 11 ?
Rh2 Sn3 2.9152(5) 3 ?
Rh2 Sn4 2.9139(5) 10 ?
Rh2 Sn4 2.9139(5) 2 ?
Rh2 Sn4 2.9139(4) 12 ?
Rh2 Sn4 2.9139(4) 3 ?
Rh2 Sn4 2.9139(5) 11 ?
Rh1 Sn1 2.8780(4) 3_565 ?
Rh1 Sn1 2.8781(4) 15 ?
Rh1 Sn1 2.8781(4) 14_455 ?
Rh1 Sn1 2.8780(4) 2_665 ?
Rh1 Sn1 2.8781(5) 13_565 ?
Rh1 Sn2 2.9497(5) 3_565 ?
Rh1 Sn2 2.9498(5) 13_565 ?
Rh1 Sn2 2.9498(5) 2_665 ?
Rh1 Sn2 2.9499(5) 14_455 ?
Rh1 Sn2 2.9497(5) 15 ?
K7 O2 2.844(4) . ?
K7 O3 2.795(5) . ?
K7 O4 2.780(4) . ?
K7 O5 2.792(5) . ?
K7 O6 2.874(4) . ?
K7 N7 3.080(5) . ?
K7 O8 2.773(4) . ?
K7 N1 3.090(5) . ?
O2 C3AA 1.429(8) . ?
O2 C3 1.413(8) . ?
O3 C6AA 1.420(8) . ?
O3 C4 1.415(8) . ?
O4 C0BA 1.418(7) . ?
O4 C1 1.419(8) . ?
O5 C7 1.414(8) . ?
O5 C12 1.422(8) . ?
O6 C4AA 1.425(7) . ?
O6 C8AA 1.413(8) . ?
N7 C2AA 1.475(8) . ?
N7 C1BA 1.466(8) . ?
N7 C5 1.443(8) . ?
O8 C1AA 1.430(8) . ?
O8 C2 1.431(8) . ?
C1AA H1AA 0.9700 . ?
C1AA H1AB 0.9700 . ?
C1AA C4 1.483(9) . ?
C2AA H2AA 0.9700 . ?
C2AA H2AB 0.9700 . ?
C2AA C6AA 1.506(9) . ?
C3AA H3AA 0.9700 . ?
C3AA H3AB 0.9700 . ?
C3AA C12 1.482(10) . ?
N1 C9AA 1.469(8) . ?
N1 C0AA 1.471(8) . ?
N1 C8 1.479(8) . ?
C4AA H4AA 0.9700 . ?
C4AA H4AB 0.9700 . ?
C4AA C0BA 1.486(10) . ?
C6AA H6AA 0.9700 . ?
C6AA H6AB 0.9700 . ?
C7AA H7AA 0.9300 . ?
C7AA C6 1.379(10) . ?
C7AA C3BA 1.379(10) . ?
C8AA H8AA 0.9700 . ?
C8AA H8AB 0.9700 . ?
C8AA C9AA 1.482(9) . ?
C9AA H9AA 0.9700 . ?
C9AA H9AB 0.9700 . ?
C0BA H0BA 0.9700 . ?
C0BA H0BB 0.9700 . ?
C1BA H1BA 0.9700 . ?
C1BA H1BB 0.9700 . ?
C1BA C1 1.498(9) . ?
C0AA H0AA 0.9700 . ?
C0AA H0AB 0.9700 . ?
C0AA C7 1.502(9) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 C8 1.479(10) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C5 1.501(9) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C9 1.394(10) . ?
C6 C13 1.499(10) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9 0.9300 . ?
C9 C5AA 1.371(11) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C2BA H2BA 0.9300 . ?
C2BA C5AA 1.374(10) . ?
C2BA C3BA 1.377(10) . ?
C5AA H5AA 0.9300 . ?
C3BA H3BA 0.9300 . ?

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
Sn1 Sn1 Sn1 106.753(18) 14_455 15 ?
Sn1 Sn1 Sn2 59.074(17) 14_455 14_455 ?
Sn1 Sn1 Sn2 109.098(14) 14_455 . ?
Sn1 Sn1 Sn2 108.977(14) 15 3_565 ?
Sn1 Sn1 Sn2 61.857(14) 15 . ?
Sn1 Sn1 Sn2 59.467(17) 15 14_455 ?
Sn1 Sn1 Sn2 61.653(14) 14_455 3_565 ?
Sn2 Sn1 Sn2 109.96(2) . 14_455 ?
Sn2 Sn1 Sn2 109.48(2) 3_565 14_455 ?
Sn2 Sn1 Sn2 59.741(19) . 3_565 ?
Rh1 Sn1 Sn1 58.078(5) . 14_455 ?
Rh1 Sn1 Sn1 58.077(3) . 15 ?
Rh1 Sn1 Sn2 59.449(13) . 3_565 ?
Rh1 Sn1 Sn2 58.646(12) . 14_455 ?
Rh1 Sn1 Sn2 59.671(13) . . ?
Sn3 Sn3 Sn3 60.001(3) 3 2 ?
Sn3 Sn3 Sn4 59.850(17) 2 . ?
Sn3 Sn3 Sn4 60.504(17) 3 3 ?
Sn3 Sn3 Sn4 107.857(15) 3 . ?
Sn3 Sn3 Sn4 108.377(16) 2 3 ?
Sn3 Sn3 Sn4 107.866(13) 2 11 ?
Sn3 Sn3 Sn4 108.262(13) 3 11 ?
Sn4 Sn3 Sn4 59.976(12) 3 11 ?
Sn4 Sn3 Sn4 59.762(11) 11 . ?
Sn4 Sn3 Sn4 107.86(2) 3 . ?
Rh2 Sn3 Sn3 58.458(8) . 3 ?
Rh2 Sn3 Sn3 58.457(8) . 2 ?
Rh2 Sn3 Sn4 58.358(12) . 3 ?
Rh2 Sn3 Sn4 58.126(13) . . ?
Rh2 Sn3 Sn4 58.143(13) . 11 ?
Sn1 Sn2 Sn1 58.882(12) 2_665 15 ?
Sn1 Sn2 Sn1 59.069(11) . 15 ?
Sn1 Sn2 Sn1 106.28(2) . 2_665 ?
Sn2 Sn2 Sn1 106.965(13) 2_665 15 ?
Sn2 Sn2 Sn1 59.829(17) 2_665 2_665 ?
Sn2 Sn2 Sn1 60.426(17) 3_565 . ?
Sn2 Sn2 Sn1 107.816(16) 2_665 . ?
Sn2 Sn2 Sn1 107.344(15) 3_565 2_665 ?
Sn2 Sn2 Sn1 107.316(13) 3_565 15 ?
Sn2 Sn2 Sn2 60.000(2) 3_565 2_665 ?
Rh1 Sn2 Sn1 57.166(12) . 2_665 ?
Rh1 Sn2 Sn1 57.369(13) . . ?
Rh1 Sn2 Sn1 56.427(12) . 15 ?
Rh1 Sn2 Sn2 58.968(8) . 3_565 ?
Rh1 Sn2 Sn2 58.969(8) . 2_665 ?
Sn3 Sn4 Sn3 59.648(19) 2 . ?
Sn3 Sn4 Sn3 108.27(2) 2 12 ?
Sn3 Sn4 Sn3 107.75(2) 12 . ?
Sn3 Sn4 Sn4 60.314(15) 2 12 ?
Sn3 Sn4 Sn4 107.973(13) 2 11 ?
Sn4 Sn4 Sn3 59.711(17) 11 12 ?
Sn4 Sn4 Sn3 60.096(14) 11 . ?
Sn4 Sn4 Sn3 107.850(14) 12 . ?
Sn4 Sn4 Sn3 60.143(17) 12 12 ?
Sn4 Sn4 Sn4 107.948(17) 11 12 ?
Rh2 Sn4 Sn3 58.163(12) . . ?
Rh2 Sn4 Sn3 58.397(13) . 2 ?
Rh2 Sn4 Sn3 58.181(12) . 12 ?
Rh2 Sn4 Sn4 58.275(5) . 11 ?
Rh2 Sn4 Sn4 58.275(6) . 12 ?
Sn3 Rh2 Sn3 179.999(19) . 10 ?
Sn3 Rh2 Sn3 116.912(15) 2 10 ?
Sn3 Rh2 Sn3 63.088(16) . 3 ?
Sn3 Rh2 Sn3 63.088(16) 10 12 ?
Sn3 Rh2 Sn3 63.088(15) 11 10 ?
Sn3 Rh2 Sn3 116.912(15) 11 3 ?
Sn3 Rh2 Sn3 63.088(15) . 2 ?
Sn3 Rh2 Sn3 116.912(16) . 12 ?
Sn3 Rh2 Sn3 116.912(16) 10 3 ?
Sn3 Rh2 Sn3 63.088(15) 11 12 ?
Sn3 Rh2 Sn3 180.00(3) 3 12 ?
Sn3 Rh2 Sn3 63.088(15) 2 3 ?
Sn3 Rh2 Sn3 116.912(15) . 11 ?
Sn3 Rh2 Sn3 116.912(15) 2 12 ?
Sn3 Rh2 Sn3 180.00(2) 2 11 ?
Sn4 Rh2 Sn3 116.289(13) 11 2 ?
Sn4 Rh2 Sn3 116.752(13) 2 12 ?
Sn4 Rh2 Sn3 116.289(13) 12 3 ?
Sn4 Rh2 Sn3 63.711(13) 2 2 ?
Sn4 Rh2 Sn3 116.323(14) 11 10 ?
Sn4 Rh2 Sn3 116.753(13) . 11 ?
Sn4 Rh2 Sn3 116.323(14) 10 12 ?
Sn4 Rh2 Sn3 63.248(13) 10 11 ?
Sn4 Rh2 Sn3 63.711(13) 10 10 ?
Sn4 Rh2 Sn3 116.323(13) 12 11 ?
Sn4 Rh2 Sn3 116.322(14) 2 . ?
Sn4 Rh2 Sn3 63.677(13) 3 11 ?
Sn4 Rh2 Sn3 63.247(13) . 2 ?
Sn4 Rh2 Sn3 63.711(13) 11 11 ?
Sn4 Rh2 Sn3 116.752(13) 10 2 ?
Sn4 Rh2 Sn3 63.711(13) 3 3 ?
Sn4 Rh2 Sn3 63.677(13) 12 2 ?
Sn4 Rh2 Sn3 116.290(13) . 10 ?
Sn4 Rh2 Sn3 116.323(13) 3 2 ?
Sn4 Rh2 Sn3 63.678(14) 11 . ?
Sn4 Rh2 Sn3 63.677(14) 2 10 ?
Sn4 Rh2 Sn3 63.711(13) . . ?
Sn4 Rh2 Sn3 63.677(14) 10 3 ?
Sn4 Rh2 Sn3 116.289(13) 3 12 ?
Sn4 Rh2 Sn3 116.752(13) 11 3 ?
Sn4 Rh2 Sn3 116.322(14) . 3 ?
Sn4 Rh2 Sn3 63.678(14) . 12 ?
Sn4 Rh2 Sn3 116.288(13) 10 . ?
Sn4 Rh2 Sn3 63.711(13) 12 12 ?
Sn4 Rh2 Sn3 63.248(13) 12 10 ?
Sn4 Rh2 Sn3 63.248(13) 11 12 ?
Sn4 Rh2 Sn3 116.753(13) 12 . ?
Sn4 Rh2 Sn3 116.289(13) 2 11 ?
Sn4 Rh2 Sn3 63.248(13) 2 3 ?
Sn4 Rh2 Sn3 63.247(13) 3 . ?
Sn4 Rh2 Sn3 116.752(13) 3 10 ?
Sn4 Rh2 Sn4 63.452(8) . 11 ?
Sn4 Rh2 Sn4 116.548(8) . 2 ?
Sn4 Rh2 Sn4 180.00(2) 11 2 ?
Sn4 Rh2 Sn4 63.452(6) 3 11 ?
Sn4 Rh2 Sn4 63.452(6) 12 2 ?
Sn4 Rh2 Sn4 180.00(3) 12 3 ?
Sn4 Rh2 Sn4 179.999(19) . 10 ?
Sn4 Rh2 Sn4 116.548(8) 10 11 ?
Sn4 Rh2 Sn4 63.452(6) . 12 ?
Sn4 Rh2 Sn4 63.452(8) 10 2 ?
Sn4 Rh2 Sn4 116.548(6) 10 12 ?
Sn4 Rh2 Sn4 116.548(6) 12 11 ?
Sn4 Rh2 Sn4 116.548(6) . 3 ?
Sn4 Rh2 Sn4 63.452(6) 10 3 ?
Sn4 Rh2 Sn4 116.548(6) 3 2 ?
Sn1 Rh1 Sn1 63.845(6) 14_455 . ?
Sn1 Rh1 Sn1 116.154(6) 14_455 13_565 ?
Sn1 Rh1 Sn1 116.155(8) 3_565 2_665 ?
Sn1 Rh1 Sn1 63.845(8) 15 2_665 ?
Sn1 Rh1 Sn1 180.0 . 13_565 ?
Sn1 Rh1 Sn1 63.846(6) 2_665 13_565 ?
Sn1 Rh1 Sn1 180.0 3_565 15 ?
Sn1 Rh1 Sn1 116.155(8) 3_565 . ?
Sn1 Rh1 Sn1 63.847(7) . 15 ?
Sn1 Rh1 Sn1 63.845(7) 3_565 13_565 ?
Sn1 Rh1 Sn1 116.154(7) 15 13_565 ?
Sn1 Rh1 Sn1 116.154(7) 14_455 15 ?
Sn1 Rh1 Sn1 63.846(8) 14_455 3_565 ?
Sn1 Rh1 Sn1 116.155(6) . 2_665 ?
Sn1 Rh1 Sn1 180.0 14_455 2_665 ?
Sn1 Rh1 Sn2 115.070(13) 15 13_565 ?
Sn1 Rh1 Sn2 63.381(13) . 3_565 ?
Sn1 Rh1 Sn2 63.377(13) 14_455 13_565 ?
Sn1 Rh1 Sn2 116.623(13) 2_665 13_565 ?
Sn1 Rh1 Sn2 115.069(13) 2_665 3_565 ?
Sn1 Rh1 Sn2 63.382(13) 15 14_455 ?
Sn1 Rh1 Sn2 117.035(13) . 13_565 ?
Sn1 Rh1 Sn2 117.039(13) 3_565 15 ?
Sn1 Rh1 Sn2 117.040(13) 15 3_565 ?
Sn1 Rh1 Sn2 64.928(14) . 14_455 ?
Sn1 Rh1 Sn2 116.618(13) 13_565 3_565 ?
Sn1 Rh1 Sn2 116.617(13) . 15 ?
Sn1 Rh1 Sn2 64.929(13) 3_565 13_565 ?
Sn1 Rh1 Sn2 117.040(13) 13_565 . ?
Sn1 Rh1 Sn2 64.929(14) 13_565 2_665 ?
Sn1 Rh1 Sn2 62.960(13) 15 15 ?
Sn1 Rh1 Sn2 116.617(13) 3_565 14_455 ?
Sn1 Rh1 Sn2 62.957(13) 14_455 14_455 ?
Sn1 Rh1 Sn2 117.041(13) 2_665 14_455 ?
Sn1 Rh1 Sn2 115.072(14) 13_565 14_455 ?
Sn1 Rh1 Sn2 116.619(13) 14_455 . ?
Sn1 Rh1 Sn2 63.383(13) 13_565 15 ?
Sn1 Rh1 Sn2 62.960(13) . . ?
Sn1 Rh1 Sn2 64.930(13) 15 . ?
Sn1 Rh1 Sn2 63.382(13) 2_665 . ?
Sn1 Rh1 Sn2 64.932(13) 14_455 3_565 ?
Sn1 Rh1 Sn2 117.041(13) 14_455 2_665 ?
Sn1 Rh1 Sn2 63.382(13) 3_565 2_665 ?
Sn1 Rh1 Sn2 115.072(14) . 2_665 ?
Sn1 Rh1 Sn2 62.961(13) 3_565 3_565 ?
Sn1 Rh1 Sn2 62.960(13) 2_665 2_665 ?
Sn1 Rh1 Sn2 115.066(13) 14_455 15 ?
Sn1 Rh1 Sn2 62.964(13) 13_565 13_565 ?
Sn1 Rh1 Sn2 116.619(13) 15 2_665 ?
Sn1 Rh1 Sn2 115.071(13) 3_565 . ?
Sn1 Rh1 Sn2 64.933(13) 2_665 15 ?
Sn2 Rh1 Sn2 117.941(15) 15 . ?
Sn2 Rh1 Sn2 62.061(16) 15 14_455 ?
Sn2 Rh1 Sn2 117.936(16) 3_565 14_455 ?
Sn2 Rh1 Sn2 62.062(15) 15 13_565 ?
Sn2 Rh1 Sn2 62.063(16) 3_565 2_665 ?
Sn2 Rh1 Sn2 117.940(16) 13_565 2_665 ?
Sn2 Rh1 Sn2 117.937(16) 14_455 . ?
Sn2 Rh1 Sn2 62.061(15) 3_565 . ?
Sn2 Rh1 Sn2 62.060(16) 13_565 14_455 ?
Sn2 Rh1 Sn2 117.940(16) 15 2_665 ?
Sn2 Rh1 Sn2 117.936(15) 3_565 13_565 ?
Sn2 Rh1 Sn2 180.0 13_565 . ?
Sn2 Rh1 Sn2 179.999(10) 14_455 2_665 ?
Sn2 Rh1 Sn2 180.0 15 3_565 ?
Sn2 Rh1 Sn2 62.063(16) . 2_665 ?
O2 K7 O6 135.70(13) . . ?
O2 K7 N7 59.07(13) . . ?
O2 K7 N1 120.26(14) . . ?
O3 K7 O2 97.49(14) . . ?
O3 K7 O6 121.27(14) . . ?
O3 K7 N7 59.73(14) . . ?
O3 K7 N1 121.52(14) . . ?
O4 K7 O2 99.49(13) . . ?
O4 K7 O3 93.38(13) . . ?
O4 K7 O5 128.07(14) . . ?
O4 K7 O6 60.75(13) . . ?
O4 K7 N7 60.43(14) . . ?
O4 K7 N1 119.05(14) . . ?
O5 K7 O2 61.23(13) . . ?
O5 K7 O3 134.18(14) . . ?
O5 K7 O6 98.33(14) . . ?
O5 K7 N7 120.14(14) . . ?
O5 K7 N1 59.12(14) . . ?
O6 K7 N7 121.08(14) . . ?
O6 K7 N1 58.49(13) . . ?
N7 K7 N1 178.75(16) . . ?
O8 K7 O2 126.64(14) . . ?
O8 K7 O3 61.26(13) . . ?
O8 K7 O4 127.92(14) . . ?
O8 K7 O5 97.62(14) . . ?
O8 K7 O6 92.84(13) . . ?
O8 K7 N7 120.82(14) . . ?
O8 K7 N1 60.43(14) . . ?
C3AA O2 K7 110.0(4) . . ?
C3 O2 K7 114.8(4) . . ?
C3 O2 C3AA 111.9(5) . . ?
C6AA O3 K7 116.3(4) . . ?
C4 O3 K7 113.2(4) . . ?
C4 O3 C6AA 112.3(5) . . ?
C0BA O4 K7 113.5(3) . . ?
C0BA O4 C1 112.3(5) . . ?
C1 O4 K7 116.9(4) . . ?
C7 O5 K7 118.2(4) . . ?
C7 O5 C12 112.1(5) . . ?
C12 O5 K7 115.0(4) . . ?
C4AA O6 K7 111.7(3) . . ?
C8AA O6 K7 113.0(4) . . ?
C8AA O6 C4AA 113.1(5) . . ?
C2AA N7 K7 108.8(4) . . ?
C1BA N7 K7 106.5(4) . . ?
C1BA N7 C2AA 109.6(5) . . ?
C5 N7 K7 109.4(4) . . ?
C5 N7 C2AA 111.3(5) . . ?
C5 N7 C1BA 111.1(5) . . ?
C1AA O8 K7 112.9(4) . . ?
C1AA O8 C2 112.0(5) . . ?
C2 O8 K7 116.0(4) . . ?
O8 C1AA H1AA 109.9 . . ?
O8 C1AA H1AB 109.9 . . ?
O8 C1AA C4 108.7(5) . . ?
H1AA C1AA H1AB 108.3 . . ?
C4 C1AA H1AA 109.9 . . ?
C4 C1AA H1AB 109.9 . . ?
N7 C2AA H2AA 109.1 . . ?
N7 C2AA H2AB 109.1 . . ?
N7 C2AA C6AA 112.6(6) . . ?
H2AA C2AA H2AB 107.8 . . ?
C6AA C2AA H2AA 109.1 . . ?
C6AA C2AA H2AB 109.1 . . ?
O2 C3AA H3AA 109.5 . . ?
O2 C3AA H3AB 109.5 . . ?
O2 C3AA C12 110.5(6) . . ?
H3AA C3AA H3AB 108.1 . . ?
C12 C3AA H3AA 109.5 . . ?
C12 C3AA H3AB 109.5 . . ?
C9AA N1 K7 110.5(4) . . ?
C9AA N1 C0AA 109.5(5) . . ?
C9AA N1 C8 111.2(5) . . ?
C0AA N1 K7 109.3(4) . . ?
C0AA N1 C8 110.2(5) . . ?
C8 N1 K7 106.1(4) . . ?
O6 C4AA H4AA 109.8 . . ?
O6 C4AA H4AB 109.8 . . ?
O6 C4AA C0BA 109.2(5) . . ?
H4AA C4AA H4AB 108.3 . . ?
C0BA C4AA H4AA 109.8 . . ?
C0BA C4AA H4AB 109.8 . . ?
O3 C6AA C2AA 109.2(5) . . ?
O3 C6AA H6AA 109.8 . . ?
O3 C6AA H6AB 109.8 . . ?
C2AA C6AA H6AA 109.8 . . ?
C2AA C6AA H6AB 109.8 . . ?
H6AA C6AA H6AB 108.3 . . ?
C6 C7AA H7AA 119.5 . . ?
C3BA C7AA H7AA 119.5 . . ?
C3BA C7AA C6 121.1(7) . . ?
O6 C8AA H8AA 109.8 . . ?
O6 C8AA H8AB 109.8 . . ?
O6 C8AA C9AA 109.3(5) . . ?
H8AA C8AA H8AB 108.3 . . ?
C9AA C8AA H8AA 109.8 . . ?
C9AA C8AA H8AB 109.8 . . ?
N1 C9AA C8AA 112.8(5) . . ?
N1 C9AA H9AA 109.0 . . ?
N1 C9AA H9AB 109.0 . . ?
C8AA C9AA H9AA 109.0 . . ?
C8AA C9AA H9AB 109.0 . . ?
H9AA C9AA H9AB 107.8 . . ?
O4 C0BA C4AA 109.2(6) . . ?
O4 C0BA H0BA 109.8 . . ?
O4 C0BA H0BB 109.8 . . ?
C4AA C0BA H0BA 109.8 . . ?
C4AA C0BA H0BB 109.8 . . ?
H0BA C0BA H0BB 108.3 . . ?
N7 C1BA H1BA 108.9 . . ?
N7 C1BA H1BB 108.9 . . ?
N7 C1BA C1 113.5(5) . . ?
H1BA C1BA H1BB 107.7 . . ?
C1 C1BA H1BA 108.9 . . ?
C1 C1BA H1BB 108.9 . . ?
N1 C0AA H0AA 108.8 . . ?
N1 C0AA H0AB 108.8 . . ?
N1 C0AA C7 114.0(6) . . ?
H0AA C0AA H0AB 107.7 . . ?
C7 C0AA H0AA 108.8 . . ?
C7 C0AA H0AB 108.8 . . ?
O4 C1 C1BA 109.3(5) . . ?
O4 C1 H1A 109.8 . . ?
O4 C1 H1B 109.8 . . ?
C1BA C1 H1A 109.8 . . ?
C1BA C1 H1B 109.8 . . ?
H1A C1 H1B 108.3 . . ?
O8 C2 H2A 109.9 . . ?
O8 C2 H2B 109.9 . . ?
O8 C2 C8 108.7(6) . . ?
H2A C2 H2B 108.3 . . ?
C8 C2 H2A 109.9 . . ?
C8 C2 H2B 109.9 . . ?
O2 C3 H3A 110.0 . . ?
O2 C3 H3B 110.0 . . ?
O2 C3 C5 108.7(5) . . ?
H3A C3 H3B 108.3 . . ?
C5 C3 H3A 110.0 . . ?
C5 C3 H3B 110.0 . . ?
O3 C4 C1AA 109.1(6) . . ?
O3 C4 H4A 109.9 . . ?
O3 C4 H4B 109.9 . . ?
C1AA C4 H4A 109.9 . . ?
C1AA C4 H4B 109.9 . . ?
H4A C4 H4B 108.3 . . ?
N7 C5 C3 113.2(6) . . ?
N7 C5 H5A 108.9 . . ?
N7 C5 H5B 108.9 . . ?
C3 C5 H5A 108.9 . . ?
C3 C5 H5B 108.9 . . ?
H5A C5 H5B 107.8 . . ?
C7AA C6 C9 117.5(7) . . ?
C7AA C6 C13 120.2(7) . . ?
C9 C6 C13 122.2(7) . . ?
O5 C7 C0AA 109.0(6) . . ?
O5 C7 H7A 109.9 . . ?
O5 C7 H7B 109.9 . . ?
C0AA C7 H7A 109.9 . . ?
C0AA C7 H7B 109.9 . . ?
H7A C7 H7B 108.3 . . ?
N1 C8 C2 113.9(5) . . ?
N1 C8 H8A 108.8 . . ?
N1 C8 H8B 108.8 . . ?
C2 C8 H8A 108.8 . . ?
C2 C8 H8B 108.8 . . ?
H8A C8 H8B 107.7 . . ?
C6 C9 H9 119.1 . . ?
C5AA C9 C6 121.8(7) . . ?
C5AA C9 H9 119.1 . . ?
O5 C12 C3AA 109.1(6) . . ?
O5 C12 H12A 109.9 . . ?
O5 C12 H12B 109.9 . . ?
C3AA C12 H12A 109.9 . . ?
C3AA C12 H12B 109.9 . . ?
H12A C12 H12B 108.3 . . ?
C6 C13 H13A 109.5 . . ?
C6 C13 H13B 109.5 . . ?
C6 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C5AA C2BA H2BA 120.1 . . ?
C5AA C2BA C3BA 119.8(7) . . ?
C3BA C2BA H2BA 120.1 . . ?
C9 C5AA C2BA 119.6(7) . . ?
C9 C5AA H5AA 120.2 . . ?
C2BA C5AA H5AA 120.2 . . ?
C7AA C3BA H3BA 119.9 . . ?
C2BA C3BA C7AA 120.2(7) . . ?
C2BA C3BA H3BA 119.9 . . ?

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
K7 O2 C3AA C12 -53.5(6) . . . . ?
K7 O2 C3 C5 59.8(6) . . . . ?
K7 O3 C6AA C2AA 59.2(6) . . . . ?
K7 O3 C4 C1AA -48.8(6) . . . . ?
K7 O4 C0BA C4AA -53.6(6) . . . . ?
K7 O4 C1 C1BA 55.1(6) . . . . ?
K7 O5 C7 C0AA 57.5(7) . . . . ?
K7 O5 C12 C3AA -45.3(7) . . . . ?
K7 O6 C4AA C0BA -47.4(6) . . . . ?
K7 O6 C8AA C9AA 64.2(6) . . . . ?
K7 N7 C2AA C6AA 38.2(6) . . . . ?
K7 N7 C1BA C1 43.0(6) . . . . ?
K7 N7 C5 C3 39.1(6) . . . . ?
K7 O8 C1AA C4 -51.3(6) . . . . ?
K7 O8 C2 C8 58.6(6) . . . . ?
K7 N1 C9AA C8AA 33.6(7) . . . . ?
K7 N1 C0AA C7 36.1(7) . . . . ?
K7 N1 C8 C2 41.1(6) . . . . ?
O2 C3AA C12 O5 68.0(8) . . . . ?
O2 C3 C5 N7 -67.9(7) . . . . ?
O6 C4AA C0BA O4 69.1(7) . . . . ?
O6 C8AA C9AA N1 -66.6(7) . . . . ?
N7 C2AA C6AA O3 -66.0(7) . . . . ?
N7 C1BA C1 O4 -67.9(8) . . . . ?
O8 C1AA C4 O3 68.0(7) . . . . ?
O8 C2 C8 N1 -68.7(7) . . . . ?
C1AA O8 C2 C8 -169.8(5) . . . . ?
C2AA N7 C1BA C1 -74.6(7) . . . . ?
C2AA N7 C5 C3 159.3(6) . . . . ?
C3AA O2 C3 C5 -173.9(5) . . . . ?
N1 C0AA C7 O5 -62.5(8) . . . . ?
C4AA O6 C8AA C9AA -167.6(5) . . . . ?
C6AA O3 C4 C1AA 177.0(5) . . . . ?
C7AA C6 C9 C5AA 0.7(11) . . . . ?
C8AA O6 C4AA C0BA -176.2(5) . . . . ?
C9AA N1 C0AA C7 157.3(6) . . . . ?
C9AA N1 C8 C2 -79.1(7) . . . . ?
C0BA O4 C1 C1BA -171.0(5) . . . . ?
C1BA N7 C2AA C6AA 154.3(6) . . . . ?
C1BA N7 C5 C3 -78.2(7) . . . . ?
C0AA N1 C9AA C8AA -86.8(7) . . . . ?
C0AA N1 C8 C2 159.3(6) . . . . ?
C1 O4 C0BA C4AA 170.9(5) . . . . ?
C2 O8 C1AA C4 175.6(5) . . . . ?
C3 O2 C3AA C12 177.7(6) . . . . ?
C4 O3 C6AA C2AA -168.2(5) . . . . ?
C5 N7 C2AA C6AA -82.4(7) . . . . ?
C5 N7 C1BA C1 162.0(6) . . . . ?
C6 C7AA C3BA C2BA 0.7(11) . . . . ?
C6 C9 C5AA C2BA -0.2(11) . . . . ?
C7 O5 C12 C3AA 175.9(6) . . . . ?
C8 N1 C9AA C8AA 151.2(6) . . . . ?
C8 N1 C0AA C7 -80.1(7) . . . . ?
C12 O5 C7 C0AA -165.1(6) . . . . ?
C13 C6 C9 C5AA 177.7(7) . . . . ?
C5AA C2BA C3BA C7AA -0.1(10) . . . . ?
C3BA C7AA C6 C9 -1.0(10) . . . . ?
C3BA C7AA C6 C13 -178.0(7) . . . . ?
C3BA C2BA C5AA C9 -0.2(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5
_database_code_depnum_ccdc_archive 'CCDC 1847080'
loop_
_audit_author_name
_audit_author_address
'Liu Chao'
;CIAC
China
;
_audit_update_record             
;
2018-06-02 deposited with the CCDC.	2019-03-11 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT990_5                   
; 
PROBLEM: Deprecated .res/.hkl Input Style SQUEEZE Job ...          ! Note    
RESPONSE: This alert is generated because there exist some
disorder solvent molecular in the structure.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H61 K1.50 N4 O10 Rh0.50 Sn6'
_chemical_formula_weight         1460.07

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   27.302(5)
_cell_length_b                   17.503(3)
_cell_length_c                   21.667(4)
_cell_angle_alpha                90
_cell_angle_beta                 97.132(4)
_cell_angle_gamma                90
_cell_volume                     10274(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    5625
_cell_measurement_theta_min      1.82
_cell_measurement_theta_max      26.09

_exptl_crystal_description       block
_exptl_crystal_colour            dark
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.888
_exptl_crystal_F_000             5600
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_exptl_absorpt_coefficient_mu    3.194
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.235
_exptl_absorpt_correction_T_max  0.384
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31375
_diffrn_reflns_av_unetI/netI     0.0661
_diffrn_reflns_av_R_equivalents  0.0591
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.503
_diffrn_reflns_theta_max         26.054
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             10093
_reflns_number_gt                7224
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0573P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10093
_refine_ls_number_parameters     473
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0711
_refine_ls_R_factor_gt           0.0477
_refine_ls_wR_factor_ref         0.1254
_refine_ls_wR_factor_gt          0.1150
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Rh1 Rh 0.2500 0.2500 0.0000 0.01792(17) Uani 1 2 d S . P . .
Sn1 Sn 0.17181(2) 0.13976(3) 0.01384(3) 0.03142(15) Uani 1 1 d . . . . .
Sn2 Sn 0.23962(2) 0.20399(3) 0.12746(2) 0.02925(14) Uani 1 1 d . . . . .
Sn3 Sn 0.16261(2) 0.30586(3) 0.05196(2) 0.02880(14) Uani 1 1 d . . . . .
Sn4 Sn 0.15833(2) 0.26298(3) -0.08724(2) 0.03002(15) Uani 1 1 d . . . . .
Sn5 Sn 0.23269(2) 0.13366(3) -0.09589(2) 0.02730(14) Uani 1 1 d . . . . .
Sn6 Sn 0.28295(2) 0.09723(3) 0.03626(3) 0.03257(15) Uani 1 1 d . . . . .
K1 K 1.0000 0.92996(12) 0.7500 0.0213(5) Uani 1 2 d S T P . .
K2 K 0.37686(6) 0.75930(9) 0.93202(7) 0.0242(4) Uani 1 1 d . . . . .
O1 O 1.08520(18) 0.9893(3) 0.8200(2) 0.0257(11) Uani 1 1 d . . . . .
O2 O 0.9607(2) 0.7894(3) 0.7855(2) 0.0350(13) Uani 1 1 d . . . . .
O3 O 0.4668(2) 0.7553(3) 0.8840(3) 0.0456(15) Uani 1 1 d . . . . .
O4 O 0.99377(19) 1.0121(3) 0.8651(2) 0.0320(13) Uani 1 1 d . . . . .
O5 O 0.3812(2) 0.6955(3) 0.8110(3) 0.0437(15) Uani 1 1 d . . . . .
O6 O 0.3108(2) 0.8733(3) 0.8830(3) 0.0439(16) Uani 1 1 d . . . . .
O7 O 0.3107(2) 0.6511(3) 0.9736(3) 0.0436(15) Uani 1 1 d . . . . .
O8 O 0.3934(2) 0.9088(3) 0.9744(3) 0.0465(16) Uani 1 1 d . . . . .
O9 O 0.4064(2) 0.6728(3) 1.0428(3) 0.0441(15) Uani 1 1 d . . . . .
O10 O 0.1192(3) 0.6260(5) 0.8362(4) 0.085(3) Uani 1 1 d . . . . .
N1 N 0.1610(3) 0.5442(5) 0.7778(4) 0.059(2) Uani 1 1 d . . . . .
N2 N 0.9065(2) 0.9316(4) 0.8066(3) 0.0352(16) Uani 1 1 d . . . . .
N3 N 0.4707(3) 0.8012(4) 1.0144(4) 0.048(2) Uani 1 1 d . . . . .
N4 N 0.2816(3) 0.7178(4) 0.8499(4) 0.0459(19) Uani 1 1 d . . . . .
C1 C 0.9734(3) 0.7223(4) 0.7526(4) 0.046(2) Uani 1 1 d . . . . .
H1A H 0.9548 0.7215 0.7114 0.056 Uiso 1 1 calc R U . . .
H1B H 0.9649 0.6770 0.7747 0.056 Uiso 1 1 calc R U . . .
C2 C 1.0396(3) 1.0176(5) 0.9039(4) 0.038(2) Uani 1 1 d . . . . .
H2A H 1.0488 0.9680 0.9219 0.046 Uiso 1 1 calc R U . . .
H2B H 1.0368 1.0532 0.9376 0.046 Uiso 1 1 calc R U . . .
C3 C 1.1250(3) 1.0092(5) 0.7852(4) 0.045(2) Uani 1 1 d . . . . .
H3A H 1.1546 1.0195 0.8137 0.054 Uiso 1 1 calc R U . . .
H3B H 1.1166 1.0552 0.7612 0.054 Uiso 1 1 calc R U . . .
C4 C 0.3639(4) 0.6416(6) 1.0674(4) 0.054(3) Uani 1 1 d . . . . .
H4A H 0.3447 0.6826 1.0826 0.065 Uiso 1 1 calc R U . . .
H4B H 0.3746 0.6078 1.1020 0.065 Uiso 1 1 calc R U . . .
C5 C 0.9105(3) 0.7889(5) 0.7953(4) 0.047(3) Uani 1 1 d . . . . .
H5A H 0.9032 0.7418 0.8159 0.056 Uiso 1 1 calc R U . . .
H5B H 0.8898 0.7911 0.7556 0.056 Uiso 1 1 calc R U . . .
C6 C 0.3369(3) 0.7049(5) 0.7687(4) 0.046(2) Uani 1 1 d . . . . .
H6A H 0.3402 0.6788 0.7299 0.055 Uiso 1 1 calc R U . . .
H6B H 0.3314 0.7588 0.7597 0.055 Uiso 1 1 calc R U . . .
C7 C 0.1556(4) 0.5936(5) 0.7239(5) 0.065(3) Uani 1 1 d . . . . .
H7A H 0.1242 0.5844 0.6998 0.097 Uiso 1 1 calc R U . . .
H7B H 0.1815 0.5833 0.6989 0.097 Uiso 1 1 calc R U . . .
H7C H 0.1574 0.6460 0.7371 0.097 Uiso 1 1 calc R U . . .
C8 C 0.9538(3) 0.9934(5) 0.8987(4) 0.042(2) Uani 1 1 d . . . . .
H8A H 0.9508 1.0320 0.9302 0.050 Uiso 1 1 calc R U . . .
H8B H 0.9600 0.9447 0.9194 0.050 Uiso 1 1 calc R U . . .
C9 C 0.2950(4) 0.6736(6) 0.7962(4) 0.057(3) Uani 1 1 d . . . . .
H9A H 0.3028 0.6216 0.8096 0.068 Uiso 1 1 calc R U . . .
H9B H 0.2666 0.6715 0.7645 0.068 Uiso 1 1 calc R U . . .
C10 C 0.8996(3) 0.8550(6) 0.8341(4) 0.053(3) Uani 1 1 d . . . . .
H10A H 0.8657 0.8508 0.8428 0.064 Uiso 1 1 calc R U . . .
H10B H 0.9206 0.8517 0.8736 0.064 Uiso 1 1 calc R U . . .
C11 C 0.3330(4) 0.5984(5) 1.0178(5) 0.053(3) Uani 1 1 d . . . . .
H11A H 0.3533 0.5628 0.9980 0.064 Uiso 1 1 calc R U . . .
H11B H 0.3078 0.5697 1.0357 0.064 Uiso 1 1 calc R U . . .
C12 C 0.4366(5) 0.7125(6) 1.0890(5) 0.067(3) Uani 1 1 d . . . . .
H12A H 0.4461 0.6790 1.1241 0.080 Uiso 1 1 calc R U . . .
H12B H 0.4186 0.7554 1.1034 0.080 Uiso 1 1 calc R U . . .
C13 C 0.3690(4) 0.9634(5) 0.9334(6) 0.071(4) Uani 1 1 d . . . . .
H13A H 0.3842 0.9650 0.8952 0.085 Uiso 1 1 calc R U . . .
H13B H 0.3721 1.0137 0.9524 0.085 Uiso 1 1 calc R U . . .
C14 C 0.3153(4) 0.9425(5) 0.9189(5) 0.065(3) Uani 1 1 d . . . . .
H14A H 0.3010 0.9353 0.9573 0.077 Uiso 1 1 calc R U . . .
H14B H 0.2975 0.9835 0.8957 0.077 Uiso 1 1 calc R U . . .
C15 C 0.2603(4) 0.8498(6) 0.8739(5) 0.056(3) Uani 1 1 d . . . . .
H15A H 0.2393 0.8928 0.8605 0.067 Uiso 1 1 calc R U . . .
H15B H 0.2507 0.8306 0.9127 0.067 Uiso 1 1 calc R U . . .
C16 C 0.4223(4) 0.7264(7) 0.7858(5) 0.070(3) Uani 1 1 d . . . . .
H16A H 0.4178 0.7810 0.7795 0.085 Uiso 1 1 calc R U . . .
H16B H 0.4251 0.7030 0.7458 0.085 Uiso 1 1 calc R U . . .
C17 C 0.9061(3) 0.9892(6) 0.8546(4) 0.048(2) Uani 1 1 d . . . . .
H17A H 0.8791 0.9785 0.8786 0.058 Uiso 1 1 calc R U . . .
H17B H 0.8999 1.0386 0.8350 0.058 Uiso 1 1 calc R U . . .
C18 C 0.8657(3) 0.9464(6) 0.7567(4) 0.049(2) Uani 1 1 d . . . . .
H18A H 0.8594 0.9002 0.7323 0.059 Uiso 1 1 calc R U . . .
H18B H 0.8361 0.9580 0.7755 0.059 Uiso 1 1 calc R U . . .
C19 C 0.2545(4) 0.7886(6) 0.8259(5) 0.065(3) Uani 1 1 d . . . . .
H19A H 0.2198 0.7771 0.8150 0.079 Uiso 1 1 calc R U . . .
H19B H 0.2675 0.8062 0.7887 0.079 Uiso 1 1 calc R U . . .
C20 C 0.2507(4) 0.6730(7) 0.8864(5) 0.067(3) Uani 1 1 d . . . . .
H20A H 0.2256 0.6473 0.8582 0.081 Uiso 1 1 calc R U . . .
H20B H 0.2340 0.7075 0.9119 0.081 Uiso 1 1 calc R U . . .
C21 C 0.4683(4) 0.7122(7) 0.8289(5) 0.067(3) Uani 1 1 d . . . . .
H21A H 0.4711 0.6582 0.8389 0.081 Uiso 1 1 calc R U . . .
H21B H 0.4969 0.7270 0.8091 0.081 Uiso 1 1 calc R U . . .
C22 C 0.4416(4) 0.9329(5) 0.9998(5) 0.063(3) Uani 1 1 d . . . . .
H22A H 0.4397 0.9815 1.0209 0.076 Uiso 1 1 calc R U . . .
H22B H 0.4622 0.9395 0.9668 0.076 Uiso 1 1 calc R U . . .
C23 C 0.2778(4) 0.6152(6) 0.9272(5) 0.066(3) Uani 1 1 d . . . . .
H23A H 0.2544 0.5842 0.9465 0.080 Uiso 1 1 calc R U . . .
H23B H 0.2960 0.5818 0.9026 0.080 Uiso 1 1 calc R U . . .
C24 C 0.4811(4) 0.7403(6) 1.0638(5) 0.068(4) Uani 1 1 d . . . . .
H24A H 0.4972 0.6975 1.0463 0.082 Uiso 1 1 calc R U . . .
H24B H 0.5039 0.7608 1.0977 0.082 Uiso 1 1 calc R U . . .
C25 C 0.5108(4) 0.7444(6) 0.9263(5) 0.066(3) Uani 1 1 d . . . . .
H25A H 0.5397 0.7488 0.9047 0.079 Uiso 1 1 calc R U . . .
H25B H 0.5107 0.6941 0.9452 0.079 Uiso 1 1 calc R U . . .
C26 C 0.1415(5) 0.5660(7) 0.8295(6) 0.075(4) Uani 1 1 d . . . . .
H26 H 0.1453 0.5326 0.8631 0.090 Uiso 1 1 calc R U . . .
C27 C 0.5113(4) 0.8065(7) 0.9761(6) 0.075(4) Uani 1 1 d . . . . .
H27A H 0.5423 0.8038 1.0031 0.090 Uiso 1 1 calc R U . . .
H27B H 0.5098 0.8561 0.9559 0.090 Uiso 1 1 calc R U . . .
C28 C 0.4633(4) 0.8741(6) 1.0444(5) 0.067(3) Uani 1 1 d . . . . .
H28A H 0.4948 0.8924 1.0648 0.080 Uiso 1 1 calc R U . . .
H28B H 0.4417 0.8666 1.0762 0.080 Uiso 1 1 calc R U . . .
C29 C 0.1860(7) 0.4736(7) 0.7736(6) 0.128(7) Uani 1 1 d . . . . .
H29A H 0.1856 0.4456 0.8116 0.192 Uiso 1 1 calc R U . . .
H29B H 0.2195 0.4832 0.7668 0.192 Uiso 1 1 calc R U . . .
H29C H 0.1697 0.4444 0.7395 0.192 Uiso 1 1 calc R U . . .
C30 C 1.0777(3) 1.0444(5) 0.8658(4) 0.037(2) Uani 1 1 d . . . . .
H30A H 1.0672 1.0923 0.8457 0.045 Uiso 1 1 calc R U . . .
H30B H 1.1084 1.0534 0.8923 0.045 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Rh1 Sn6 2.8984(7) 7 ?
Rh1 Sn6 2.8984(7) . ?
Rh1 Sn5 2.9056(6) 7 ?
Rh1 Sn5 2.9057(6) . ?
Rh1 Sn1 2.9205(6) . ?
Rh1 Sn1 2.9206(6) 7 ?
Rh1 Sn2 2.9240(7) 7 ?
Rh1 Sn2 2.9241(7) . ?
Rh1 Sn3 2.9295(7) 7 ?
Rh1 Sn3 2.9296(7) . ?
Rh1 Sn4 2.9517(6) 7 ?
Rh1 Sn4 2.9518(6) . ?
Sn1 Sn3 3.0411(9) . ?
Sn1 Sn4 3.0631(9) . ?
Sn1 Sn5 3.0674(9) . ?
Sn1 Sn2 3.1017(8) . ?
Sn1 Sn6 3.1034(10) . ?
Sn2 Sn5 3.0401(9) 7 ?
Sn2 Sn6 3.0621(9) . ?
Sn2 Sn3 3.0696(8) . ?
Sn2 Sn4 3.0754(9) 7 ?
Sn3 Sn6 3.0734(8) 7 ?
Sn3 Sn5 3.0858(9) 7 ?
Sn3 Sn4 3.0960(9) . ?
Sn4 Sn6 3.0557(8) 7 ?
Sn4 Sn5 3.0618(8) . ?
Sn4 Sn2 3.0754(9) 7 ?
Sn5 Sn2 3.0400(9) 7 ?
Sn5 Sn6 3.0842(9) . ?
Sn5 Sn3 3.0857(9) 7 ?
Sn6 Sn4 3.0557(8) 7 ?
Sn6 Sn3 3.0733(8) 7 ?
K1 O1 2.813(5) . ?
K1 O1 2.813(5) 2_756 ?
K1 O2 2.828(5) . ?
K1 O2 2.828(5) 2_756 ?
K1 O4 2.902(5) . ?
K1 O4 2.902(5) 2_756 ?
K1 N2 2.967(7) . ?
K1 N2 2.967(7) 2_756 ?
K2 O3 2.784(6) . ?
K2 O8 2.791(6) . ?
K2 O6 2.809(5) . ?
K2 O7 2.841(6) . ?
K2 O5 2.867(6) . ?
K2 O9 2.867(6) . ?
K2 N3 3.026(7) . ?
K2 N4 3.051(7) . ?
O1 C30 1.416(9) . ?
O1 C3 1.440(10) . ?
O2 C5 1.411(11) . ?
O2 C1 1.438(10) . ?
O3 C21 1.416(11) . ?
O3 C25 1.431(11) . ?
O4 C8 1.423(10) . ?
O4 C2 1.421(9) . ?
O5 C16 1.416(12) . ?
O5 C6 1.433(9) . ?
O6 C15 1.429(11) . ?
O6 C14 1.437(11) . ?
O7 C11 1.411(10) . ?
O7 C23 1.411(11) . ?
O8 C13 1.413(11) . ?
O8 C22 1.426(11) . ?
O9 C12 1.401(11) . ?
O9 C4 1.443(11) . ?
O10 C26 1.231(14) . ?
N1 C26 1.353(15) . ?
N1 C29 1.420(13) . ?
N1 C7 1.448(11) . ?
N2 C17 1.450(11) . ?
N2 C18 1.477(10) . ?
N2 C10 1.488(10) . ?
N3 C28 1.459(12) . ?
N3 C27 1.466(14) . ?
N3 C24 1.511(12) . ?
N4 C20 1.454(13) . ?
N4 C9 1.481(11) . ?
N4 C19 1.503(12) . ?
C1 C1 1.474(19) 2_756 ?
C2 C30 1.483(12) . ?
C3 C18 1.468(12) 2_756 ?
C4 C11 1.487(14) . ?
C5 C10 1.482(14) . ?
C6 C9 1.462(14) . ?
C8 C17 1.517(12) . ?
C12 C24 1.475(16) . ?
C13 C14 1.508(15) . ?
C15 C19 1.488(13) . ?
C16 C21 1.490(14) . ?
C18 C3 1.468(12) 2_756 ?
C20 C23 1.481(14) . ?
C22 C28 1.484(14) . ?
C25 C27 1.531(14) . ?

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
Sn6 Rh1 Sn6 180.0 7 . ?
Sn6 Rh1 Sn5 64.197(18) 7 7 ?
Sn6 Rh1 Sn5 115.804(18) . 7 ?
Sn6 Rh1 Sn5 115.803(18) 7 . ?
Sn6 Rh1 Sn5 64.197(18) . . ?
Sn5 Rh1 Sn5 180.0 7 . ?
Sn6 Rh1 Sn1 115.54(2) 7 . ?
Sn6 Rh1 Sn1 64.46(2) . . ?
Sn5 Rh1 Sn1 116.465(17) 7 . ?
Sn5 Rh1 Sn1 63.536(17) . . ?
Sn6 Rh1 Sn1 64.46(2) 7 7 ?
Sn6 Rh1 Sn1 115.539(19) . 7 ?
Sn5 Rh1 Sn1 63.535(17) 7 7 ?
Sn5 Rh1 Sn1 116.463(17) . 7 ?
Sn1 Rh1 Sn1 180.0 . 7 ?
Sn6 Rh1 Sn2 63.457(16) 7 7 ?
Sn6 Rh1 Sn2 116.542(16) . 7 ?
Sn5 Rh1 Sn2 117.137(19) 7 7 ?
Sn5 Rh1 Sn2 62.862(18) . 7 ?
Sn1 Rh1 Sn2 115.894(15) . 7 ?
Sn1 Rh1 Sn2 64.106(15) 7 7 ?
Sn6 Rh1 Sn2 116.544(16) 7 . ?
Sn6 Rh1 Sn2 63.457(16) . . ?
Sn5 Rh1 Sn2 62.864(18) 7 . ?
Sn5 Rh1 Sn2 117.137(18) . . ?
Sn1 Rh1 Sn2 64.106(15) . . ?
Sn1 Rh1 Sn2 115.894(15) 7 . ?
Sn2 Rh1 Sn2 180.0 7 . ?
Sn6 Rh1 Sn3 116.350(17) 7 7 ?
Sn6 Rh1 Sn3 63.649(16) . 7 ?
Sn5 Rh1 Sn3 116.151(16) 7 7 ?
Sn5 Rh1 Sn3 63.848(16) . 7 ?
Sn1 Rh1 Sn3 117.357(19) . 7 ?
Sn1 Rh1 Sn3 62.642(19) 7 7 ?
Sn2 Rh1 Sn3 63.252(16) 7 7 ?
Sn2 Rh1 Sn3 116.747(16) . 7 ?
Sn6 Rh1 Sn3 63.650(17) 7 . ?
Sn6 Rh1 Sn3 116.352(17) . . ?
Sn5 Rh1 Sn3 63.850(16) 7 . ?
Sn5 Rh1 Sn3 116.152(16) . . ?
Sn1 Rh1 Sn3 62.643(19) . . ?
Sn1 Rh1 Sn3 117.358(19) 7 . ?
Sn2 Rh1 Sn3 116.747(16) 7 . ?
Sn2 Rh1 Sn3 63.254(16) . . ?
Sn3 Rh1 Sn3 180.0 7 . ?
Sn6 Rh1 Sn4 117.031(16) 7 7 ?
Sn6 Rh1 Sn4 62.968(16) . 7 ?
Sn5 Rh1 Sn4 63.023(16) 7 7 ?
Sn5 Rh1 Sn4 116.976(16) . 7 ?
Sn1 Rh1 Sn4 117.119(18) . 7 ?
Sn1 Rh1 Sn4 62.881(18) 7 7 ?
Sn2 Rh1 Sn4 116.881(18) 7 7 ?
Sn2 Rh1 Sn4 63.119(18) . 7 ?
Sn3 Rh1 Sn4 63.525(19) 7 7 ?
Sn3 Rh1 Sn4 116.475(19) . 7 ?
Sn6 Rh1 Sn4 62.970(16) 7 . ?
Sn6 Rh1 Sn4 117.031(16) . . ?
Sn5 Rh1 Sn4 116.978(16) 7 . ?
Sn5 Rh1 Sn4 63.023(16) . . ?
Sn1 Rh1 Sn4 62.880(18) . . ?
Sn1 Rh1 Sn4 117.120(18) 7 . ?
Sn2 Rh1 Sn4 63.120(18) 7 . ?
Sn2 Rh1 Sn4 116.880(18) . . ?
Sn3 Rh1 Sn4 116.475(19) 7 . ?
Sn3 Rh1 Sn4 63.524(19) . . ?
Sn4 Rh1 Sn4 180.0 7 . ?
Rh1 Sn1 Sn3 58.826(16) . . ?
Rh1 Sn1 Sn4 59.060(16) . . ?
Sn3 Sn1 Sn4 60.95(2) . . ?
Rh1 Sn1 Sn5 57.996(15) . . ?
Sn3 Sn1 Sn5 108.35(2) . . ?
Sn4 Sn1 Sn5 59.925(19) . . ?
Rh1 Sn1 Sn2 58.003(16) . . ?
Sn3 Sn1 Sn2 59.951(17) . . ?
Sn4 Sn1 Sn2 108.61(2) . . ?
Sn5 Sn1 Sn2 107.48(2) . . ?
Rh1 Sn1 Sn6 57.425(17) . . ?
Sn3 Sn1 Sn6 107.39(2) . . ?
Sn4 Sn1 Sn6 108.00(2) . . ?
Sn5 Sn1 Sn6 59.97(2) . . ?
Sn2 Sn1 Sn6 59.138(19) . . ?
Rh1 Sn2 Sn5 58.271(14) . 7 ?
Rh1 Sn2 Sn6 57.864(17) . . ?
Sn5 Sn2 Sn6 107.36(2) 7 . ?
Rh1 Sn2 Sn3 58.462(16) . . ?
Sn5 Sn2 Sn3 60.668(19) 7 . ?
Sn6 Sn2 Sn3 107.72(2) . . ?
Rh1 Sn2 Sn4 58.880(14) . 7 ?
Sn5 Sn2 Sn4 60.082(17) 7 7 ?
Sn6 Sn2 Sn4 59.718(19) . 7 ?
Sn3 Sn2 Sn4 108.93(2) . 7 ?
Rh1 Sn2 Sn1 57.891(17) . . ?
Sn5 Sn2 Sn1 107.50(2) 7 . ?
Sn6 Sn2 Sn1 60.46(2) . . ?
Sn3 Sn2 Sn1 59.04(2) . . ?
Sn4 Sn2 Sn1 108.40(2) 7 . ?
Rh1 Sn3 Sn1 58.531(15) . . ?
Rh1 Sn3 Sn2 58.284(17) . . ?
Sn1 Sn3 Sn2 61.004(19) . . ?
Rh1 Sn3 Sn6 57.680(17) . 7 ?
Sn1 Sn3 Sn6 107.22(2) . 7 ?
Sn2 Sn3 Sn6 107.45(2) . 7 ?
Rh1 Sn3 Sn5 57.697(17) . 7 ?
Sn1 Sn3 Sn5 107.89(2) . 7 ?
Sn2 Sn3 Sn5 59.194(19) . 7 ?
Sn6 Sn3 Sn5 60.097(19) 7 7 ?
Rh1 Sn3 Sn4 58.586(15) . . ?
Sn1 Sn3 Sn4 59.875(17) . . ?
Sn2 Sn3 Sn4 108.59(2) . . ?
Sn6 Sn3 Sn4 59.378(19) 7 . ?
Sn5 Sn3 Sn4 107.76(2) 7 . ?
Rh1 Sn4 Sn6 57.661(15) . 7 ?
Rh1 Sn4 Sn5 57.752(15) . . ?
Sn6 Sn4 Sn5 106.98(2) 7 . ?
Rh1 Sn4 Sn1 58.061(15) . . ?
Sn6 Sn4 Sn1 107.11(2) 7 . ?
Sn5 Sn4 Sn1 60.11(2) . . ?
Rh1 Sn4 Sn2 57.998(18) . 7 ?
Sn6 Sn4 Sn2 59.922(19) 7 7 ?
Sn5 Sn4 Sn2 59.38(2) . 7 ?
Sn1 Sn4 Sn2 107.60(2) . 7 ?
Rh1 Sn4 Sn3 57.889(15) . . ?
Sn6 Sn4 Sn3 59.942(18) 7 . ?
Sn5 Sn4 Sn3 107.08(2) . . ?
Sn1 Sn4 Sn3 59.17(2) . . ?
Sn2 Sn4 Sn3 107.73(2) 7 . ?
Rh1 Sn5 Sn2 58.863(17) . 7 ?
Rh1 Sn5 Sn4 59.224(16) . . ?
Sn2 Sn5 Sn4 60.53(2) 7 . ?
Rh1 Sn5 Sn1 58.468(16) . . ?
Sn2 Sn5 Sn1 108.40(2) 7 . ?
Sn4 Sn5 Sn1 59.969(19) . . ?
Rh1 Sn5 Sn6 57.788(17) . . ?
Sn2 Sn5 Sn6 107.92(2) 7 . ?
Sn4 Sn5 Sn6 108.54(2) . . ?
Sn1 Sn5 Sn6 60.60(2) . . ?
Rh1 Sn5 Sn3 58.452(14) . 7 ?
Sn2 Sn5 Sn3 60.137(17) 7 7 ?
Sn4 Sn5 Sn3 108.86(2) . 7 ?
Sn1 Sn5 Sn3 108.62(2) . 7 ?
Sn6 Sn5 Sn3 59.751(18) . 7 ?
Rh1 Sn6 Sn4 59.369(17) . 7 ?
Rh1 Sn6 Sn2 58.680(17) . . ?
Sn4 Sn6 Sn2 60.36(2) 7 . ?
Rh1 Sn6 Sn3 58.668(16) . 7 ?
Sn4 Sn6 Sn3 60.68(2) 7 7 ?
Sn2 Sn6 Sn3 108.66(2) . 7 ?
Rh1 Sn6 Sn5 58.015(14) . . ?
Sn4 Sn6 Sn5 108.84(2) 7 . ?
Sn2 Sn6 Sn5 108.06(2) . . ?
Sn3 Sn6 Sn5 60.15(2) 7 . ?
Rh1 Sn6 Sn1 58.114(14) . . ?
Sn4 Sn6 Sn1 108.87(2) 7 . ?
Sn2 Sn6 Sn1 60.403(19) . . ?
Sn3 Sn6 Sn1 108.01(2) 7 . ?
Sn5 Sn6 Sn1 59.435(18) . . ?
O1 K1 O1 136.6(2) . 2_756 ?
O1 K1 O2 119.42(15) . . ?
O1 K1 O2 98.71(15) 2_756 . ?
O1 K1 O2 98.71(15) . 2_756 ?
O1 K1 O2 119.43(15) 2_756 2_756 ?
O2 K1 O2 59.1(2) . 2_756 ?
O1 K1 O4 59.11(15) . . ?
O1 K1 O4 98.48(15) 2_756 . ?
O2 K1 O4 97.61(16) . . ?
O2 K1 O4 136.80(15) 2_756 . ?
O1 K1 O4 98.48(15) . 2_756 ?
O1 K1 O4 59.11(15) 2_756 2_756 ?
O2 K1 O4 136.80(15) . 2_756 ?
O2 K1 O4 97.61(16) 2_756 2_756 ?
O4 K1 O4 120.6(2) . 2_756 ?
O1 K1 N2 118.03(17) . . ?
O1 K1 N2 61.51(16) 2_756 . ?
O2 K1 N2 61.36(18) . . ?
O2 K1 N2 119.7(2) 2_756 . ?
O4 K1 N2 59.63(16) . . ?
O4 K1 N2 119.74(17) 2_756 . ?
O1 K1 N2 61.51(16) . 2_756 ?
O1 K1 N2 118.03(17) 2_756 2_756 ?
O2 K1 N2 119.7(2) . 2_756 ?
O2 K1 N2 61.37(18) 2_756 2_756 ?
O4 K1 N2 119.74(17) . 2_756 ?
O4 K1 N2 59.63(16) 2_756 2_756 ?
N2 K1 N2 178.9(3) . 2_756 ?
O3 K2 O8 91.88(18) . . ?
O3 K2 O6 115.53(19) . . ?
O8 K2 O6 61.84(18) . . ?
O3 K2 O7 136.63(18) . . ?
O8 K2 O7 127.16(18) . . ?
O6 K2 O7 100.97(19) . . ?
O3 K2 O5 60.63(17) . . ?
O8 K2 O5 130.00(19) . . ?
O6 K2 O5 91.61(17) . . ?
O7 K2 O5 97.51(19) . . ?
O3 K2 O9 97.48(19) . . ?
O8 K2 O9 101.70(18) . . ?
O6 K2 O9 142.43(19) . . ?
O7 K2 O9 60.41(18) . . ?
O5 K2 O9 121.38(17) . . ?
O3 K2 N3 60.3(2) . . ?
O8 K2 N3 59.25(19) . . ?
O6 K2 N3 120.5(2) . . ?
O7 K2 N3 120.0(2) . . ?
O5 K2 N3 120.4(2) . . ?
O9 K2 N3 60.3(2) . . ?
O3 K2 N4 120.2(2) . . ?
O8 K2 N4 120.4(2) . . ?
O6 K2 N4 59.18(19) . . ?
O7 K2 N4 59.8(2) . . ?
O5 K2 N4 60.19(19) . . ?
O9 K2 N4 119.5(2) . . ?
N3 K2 N4 179.4(2) . . ?
C30 O1 C3 112.7(6) . . ?
C30 O1 K1 116.5(4) . . ?
C3 O1 K1 115.8(4) . . ?
C5 O2 C1 111.5(6) . . ?
C5 O2 K1 117.1(5) . . ?
C1 O2 K1 117.0(5) . . ?
C21 O3 C25 111.1(7) . . ?
C21 O3 K2 116.6(5) . . ?
C25 O3 K2 118.2(6) . . ?
C8 O4 C2 112.8(6) . . ?
C8 O4 K1 117.2(4) . . ?
C2 O4 K1 113.6(4) . . ?
C16 O5 C6 110.9(7) . . ?
C16 O5 K2 109.2(5) . . ?
C6 O5 K2 114.4(5) . . ?
C15 O6 C14 109.4(7) . . ?
C15 O6 K2 114.2(5) . . ?
C14 O6 K2 112.7(5) . . ?
C11 O7 C23 112.1(7) . . ?
C11 O7 K2 114.4(5) . . ?
C23 O7 K2 116.4(5) . . ?
C13 O8 C22 112.4(7) . . ?
C13 O8 K2 112.6(6) . . ?
C22 O8 K2 120.6(5) . . ?
C12 O9 C4 110.7(8) . . ?
C12 O9 K2 114.6(5) . . ?
C4 O9 K2 110.7(5) . . ?
C26 N1 C29 122.7(10) . . ?
C26 N1 C7 119.3(9) . . ?
C29 N1 C7 118.0(10) . . ?
C17 N2 C18 109.4(7) . . ?
C17 N2 C10 109.1(7) . . ?
C18 N2 C10 109.3(7) . . ?
C17 N2 K1 112.7(5) . . ?
C18 N2 K1 107.9(5) . . ?
C10 N2 K1 108.3(5) . . ?
C28 N3 C27 110.6(8) . . ?
C28 N3 C24 109.0(8) . . ?
C27 N3 C24 110.9(8) . . ?
C28 N3 K2 108.7(5) . . ?
C27 N3 K2 109.0(6) . . ?
C24 N3 K2 108.6(5) . . ?
C20 N4 C9 111.2(8) . . ?
C20 N4 C19 109.9(8) . . ?
C9 N4 C19 108.5(7) . . ?
C20 N4 K2 108.8(5) . . ?
C9 N4 K2 107.8(5) . . ?
C19 N4 K2 110.7(5) . . ?
O2 C1 C1 109.8(5) . 2_756 ?
O4 C2 C30 108.5(6) . . ?
O1 C3 C18 110.0(7) . 2_756 ?
O9 C4 C11 109.6(8) . . ?
O2 C5 C10 110.3(7) . . ?
O5 C6 C9 109.7(8) . . ?
O4 C8 C17 110.0(7) . . ?
C6 C9 N4 114.0(8) . . ?
N2 C10 C5 115.6(7) . . ?
O7 C11 C4 108.5(7) . . ?
O9 C12 C24 109.9(9) . . ?
O8 C13 C14 109.6(8) . . ?
O6 C14 C13 109.4(8) . . ?
O6 C15 C19 108.7(8) . . ?
O5 C16 C21 110.0(9) . . ?
N2 C17 C8 113.8(7) . . ?
C3 C18 N2 114.4(7) 2_756 . ?
N4 C19 C15 110.2(8) . . ?
N4 C20 C23 114.4(8) . . ?
O3 C21 C16 109.2(8) . . ?
O8 C22 C28 108.7(8) . . ?
O7 C23 C20 110.3(8) . . ?
C12 C24 N3 113.8(8) . . ?
O3 C25 C27 106.9(8) . . ?
O10 C26 N1 126.1(11) . . ?
N3 C27 C25 114.3(9) . . ?
N3 C28 C22 112.5(9) . . ?
O1 C30 C2 110.4(6) . . ?

_refine_diff_density_max         2.298
_refine_diff_density_min         -1.239
_refine_diff_density_rms         0.181

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.050 0.250 205 59 ' '
2 0.500 -0.050 0.750 205 59 ' '
3 0.000 0.450 0.750 205 59 ' '
4 0.000 0.550 0.250 205 59 ' '
_platon_squeeze_details          ?


####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_database_code_depnum_ccdc_archive 'CCDC 1847079'
loop_
_audit_author_name
_audit_author_address
'Liu Chao'
;CIAC
China
;
_audit_update_record             
;
2018-06-02 deposited with the CCDC.	2019-03-11 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT416_3                   
; 
PROBLEM: Short Intra D-H..H-D       H64A     ..H64A             0.76 Ang.     
RESPONSE: This alert is generated because there exist some
disorder solvent molecular in the structure.
;
# end Validation Reply Form
_audit_creation_date             2018-05-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.18 svn.r3508 for OlexSys, GUI svn.r5497)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C26.5 H66 K4 N9.5 O6 Rh2 Sn17, C36 H72 K2 N4 O12'
_chemical_formula_sum            'C62 H140 K6 N14 O18 Rh2 Sn17'
_chemical_formula_weight         3828.02
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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'

_cell_length_a                   21.5558(14)
_cell_length_b                   16.1668(10)
_cell_length_c                   33.205(2)
_cell_angle_alpha                90
_cell_angle_beta                 97.8280(10)
_cell_angle_gamma                90
_cell_volume                     11463.6(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9857
_cell_measurement_temperature    120
_cell_measurement_theta_max      26.08
_cell_measurement_theta_min      2.24
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.181
_exptl_absorpt_correction_T_max  0.658
_exptl_absorpt_correction_T_min  0.381
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.1163 before and 0.0491 after correction.
The Ratio of minimum to maximum transmission is 0.5077.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark black'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    2.218
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             7232
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0394
_diffrn_reflns_av_unetI/netI     0.0431
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            70292
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.081
_diffrn_reflns_theta_min         1.580
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                19154
_reflns_number_total             22633
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.944
_refine_diff_density_min         -1.336
_refine_diff_density_rms         0.139
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1100
_refine_ls_number_reflns         22633
_refine_ls_number_restraints     53
_refine_ls_R_factor_all          0.0387
_refine_ls_R_factor_gt           0.0292
_refine_ls_restrained_S_all      1.484
_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)+(0.0192P)²+23.0711P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0604
_refine_ls_wR_factor_ref         0.0643
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All N(H,H) groups
2. Restrained distances
 C58-C61
 1.38 with sigma of 0.01
 N64-H64A
 0.7 with sigma of 0.001
3. Rigid bond restraints
 N65, C60
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C41, C57
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 O18, C57
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Uiso/Uaniso restraints and constraints
Uanis(C61) \\sim Ueq, Uanis(C58) \\sim Ueq, Uanis(N11) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C60) \\sim Ueq, Uanis(C62) \\sim Ueq, Uanis(C63) \\sim Ueq, Uanis(C57)
\\sim Ueq, Uanis(C2AA) \\sim Ueq: with sigma of 0.001 and sigma for terminal
atoms of 0.002
5. Others
 Sof(C62A)=1-FVAR(1)
 Sof(C62)=FVAR(1)
 Fixed Sof: N64(0.5) N7(0.5) C63(0.5) H63A(0.5) H63B(0.5) N8(0.5) H8A(0.5)
 H8B(0.5)
6.a Secondary CH2 refined with riding coordinates:
 C1AA(H1AA,H1AB), C2(H2A,H2B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B), C7(H7A,
 H7B), C8(H8C,H8D), C9(H9A,H9B), C11(H11C,H11D), C12(H12A,H12B), C13(H13A,H13B),
  C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C18(H18A,
 H18B), C19(H19A,H19B), C20(H20A,H20B), C21(H21A,H21B), C22(H22A,H22B),
 C23(H23A,H23B), C24(H24A,H24B), C25(H25A,H25B), C26(H26A,H26B), C27(H27A,H27B),
  C28(H28A,H28B), C29(H29A,H29B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,
 H32B), C33(H33A,H33B), C34(H34A,H34B), C35(H35A,H35B), C36(H36A,H36B),
 C37(H37A,H37B), C38(H38A,H38B), C40(H40A,H40B), C41(H41A,H41B), C42(H42A,H42B),
  C43(H43A,H43B), C44(H44A,H44B), C45(H45A,H45B), C46(H46A,H46B), C47(H47A,
 H47B), C48(H48A,H48B), C49(H49A,H49B), C50(H50A,H50B), C51(H51A,H51B),
 C52(H52A,H52B), C53(H53A,H53B), C54(H54A,H54B), C55(H55C,H55D), C56(H56A,H56B),
  C58(H58A,H58B), C59(H59A,H59B), C60(H60A,H60B), C61(H61A,H61B), C2AA(H2AA,
 H2AB), C63(H63A,H63B), C0AA(H0AA,H0AB), C57(H57A,H57B), C39(H39A,H39B)
6.b X=CH2 refined with riding coordinates:
 N1(H1A,H1B), N3(H3A,H3B), N55(H55A,H55B), N88(H88A,H88B), N11(H11A,H11B),
 N64(H64A,H64B), N8(H8A,H8B), N65(H65A,H65B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Sn14 Sn 0.62144(2) 0.64018(2) 0.22979(2) 0.01701(7) Uani 1 1 d . . . . .
Rh1 Rh 0.69547(2) 0.65010(2) 0.39216(2) 0.01085(7) Uani 1 1 d . . . . .
Rh2 Rh 0.53029(2) 0.60320(2) 0.27569(2) 0.01081(7) Uani 1 1 d . . . . .
Sn1 Sn 0.72245(2) 0.74361(2) 0.46079(2) 0.02053(8) Uani 1 1 d . . . . .
Sn2 Sn 0.80717(2) 0.60154(2) 0.43484(2) 0.01885(7) Uani 1 1 d . . . . .
Sn3 Sn 0.79022(2) 0.76345(2) 0.38839(2) 0.01826(7) Uani 1 1 d . . . . .
Sn4 Sn 0.64793(2) 0.80386(2) 0.37479(2) 0.02069(8) Uani 1 1 d . . . . .
Sn5 Sn 0.58124(2) 0.67781(2) 0.41577(2) 0.01814(7) Uani 1 1 d . . . . .
Sn6 Sn 0.67987(2) 0.56620(2) 0.46144(2) 0.02087(8) Uani 1 1 d . . . . .
Sn7 Sn 0.69968(2) 0.48357(2) 0.38256(2) 0.02027(8) Uani 1 1 d . . . . .
Sn8 Sn 0.77521(2) 0.60325(2) 0.34010(2) 0.01829(7) Uani 1 1 d . . . . .
Sn9 Sn 0.62421(2) 0.62671(2) 0.32732(2) 0.01790(7) Uani 1 1 d . . . . .
Sn10 Sn 0.55078(2) 0.76751(2) 0.27099(2) 0.01840(7) Uani 1 1 d . . . . .
Sn11 Sn 0.42259(2) 0.69620(2) 0.27419(2) 0.01741(7) Uani 1 1 d . . . . .
Sn12 Sn 0.47740(2) 0.59075(2) 0.34477(2) 0.01771(7) Uani 1 1 d . . . . .
Sn13 Sn 0.54829(2) 0.45416(2) 0.31182(2) 0.02012(8) Uani 1 1 d . . . . .
Sn15 Sn 0.47879(2) 0.64596(2) 0.19828(2) 0.01907(7) Uani 1 1 d . . . . .
Sn16 Sn 0.42470(2) 0.51281(2) 0.25392(2) 0.02059(8) Uani 1 1 d . . . . .
Sn17 Sn 0.54393(2) 0.48338(2) 0.21860(2) 0.02050(8) Uani 1 1 d . . . . .
K1 K 0.77657(5) 0.29763(7) 0.22167(3) 0.0217(2) Uani 1 1 d . . . . .
K2 K 0.70280(5) 0.44178(7) 0.27088(3) 0.0221(2) Uani 1 1 d . . . . .
K5 K 0.11836(5) 0.58431(6) 0.35591(3) 0.0192(2) Uani 1 1 d . . . . .
K4 K 0.38202(5) 0.08423(7) 0.38210(3) 0.0211(2) Uani 1 1 d . . . . .
K6 K 0.10690(5) 0.85218(6) 0.50145(3) 0.0200(2) Uani 1 1 d . . . . .
O1 O 0.23584(16) 0.5454(2) 0.38868(10) 0.0275(8) Uani 1 1 d . . . . .
O2 O 0.18159(19) 0.8990(2) 0.57402(10) 0.0313(9) Uani 1 1 d . . . . .
O3 O 0.11697(18) 0.7050(2) 0.29365(11) 0.0319(9) Uani 1 1 d . . . . .
O4 O 0.17360(17) 1.0023(2) 0.50514(10) 0.0274(8) Uani 1 1 d . . . . .
O5 O 0.14318(17) 0.5148(2) 0.43529(11) 0.0302(9) Uani 1 1 d . . . . .
O6 O -0.00199(17) 0.8856(2) 0.44728(11) 0.0349(9) Uani 1 1 d . . . . .
O7 O 0.28584(17) -0.0278(2) 0.35278(11) 0.0312(9) Uani 1 1 d . . . . .
O8 O 0.42359(18) 0.0069(2) 0.45873(11) 0.0336(9) Uani 1 1 d . . . . .
O9 O 0.03275(17) 0.7155(2) 0.35188(12) 0.0344(9) Uani 1 1 d . . . . .
O10 O 0.15357(19) 0.6930(2) 0.51091(11) 0.0340(9) Uani 1 1 d . . . . .
O11 O 0.18643(17) 0.7918(2) 0.44576(10) 0.0277(8) Uani 1 1 d . . . . .
O12 O 0.45445(18) 0.1877(2) 0.33658(11) 0.0373(10) Uani 1 1 d . . . . .
O13 O 0.46523(18) 0.0140(3) 0.33465(12) 0.0383(10) Uani 1 1 d . . . . .
O14 O 0.26916(16) 0.1475(2) 0.34102(11) 0.0316(9) Uani 1 1 d . . . . .
O15 O -0.01484(18) 0.8274(3) 0.52607(12) 0.0388(10) Uani 1 1 d . . . . .
O16 O 0.39039(18) 0.1751(2) 0.45328(11) 0.0351(9) Uani 1 1 d . . . . .
O17 O 0.1422(3) 0.4490(3) 0.30900(15) 0.0697(17) Uani 1 1 d . . . . .
O18 O 0.0327(3) 0.4587(3) 0.3462(2) 0.089(2) Uani 1 1 d . U . . .
N1 N 0.7368(2) 0.4599(3) 0.18908(13) 0.0361(12) Uani 1 1 d . . . . .
H1A H 0.7457 0.4095 0.1956 0.043 Uiso 1 1 calc R . . . .
H1B H 0.7000 0.4725 0.1772 0.043 Uiso 1 1 calc R . . . .
N2 N 0.0173(2) 0.5815(3) 0.40809(14) 0.0335(11) Uani 1 1 d . . . . .
N3 N 0.8369(2) 0.4495(3) 0.25872(16) 0.0440(14) Uani 1 1 d . . . . .
H3A H 0.8013 0.4478 0.2677 0.053 Uiso 1 1 calc R . . . .
H3B H 0.8695 0.4286 0.2729 0.053 Uiso 1 1 calc R . . . .
N4 N 0.0949(2) 0.7604(3) 0.57813(13) 0.0351(12) Uani 1 1 d . . . . .
N5 N 0.1173(2) 0.9447(3) 0.42416(12) 0.0294(11) Uani 1 1 d . . . . .
N55 N 0.6468(2) 0.2843(3) 0.23075(17) 0.0454(14) Uani 1 1 d . . . . .
H55A H 0.6567 0.3333 0.2396 0.054 Uiso 1 1 calc R . . . .
H55B H 0.6367 0.2759 0.2051 0.054 Uiso 1 1 calc R . . . .
N88 N 0.7332(3) 0.2766(4) 0.30658(15) 0.069(2) Uani 1 1 d . . . . .
H88A H 0.7552 0.2771 0.2868 0.082 Uiso 1 1 calc R . . . .
H88B H 0.7492 0.2939 0.3302 0.082 Uiso 1 1 calc R . . . .
N11 N 0.6810(6) 0.2107(6) 0.4259(3) 0.171(5) Uani 1 1 d . U . . .
H11A H 0.6709 0.2593 0.4332 0.205 Uiso 1 1 calc R . . . .
H11B H 0.7197 0.1984 0.4254 0.205 Uiso 1 1 calc R . . . .
N64 N 0.5446(4) 0.5074(6) 0.5257(3) 0.036(2) Uani 0.5 1 d D . P . .
H64A H 0.5143 0.4935 0.5074 0.043 Uiso 1 1 calc DR . . A .
H64B H 0.5520 0.5588 0.5310 0.043 Uiso 1 1 calc R . . A .
N13A N 0.22244(19) 0.5927(3) 0.30779(12) 0.0236(9) Uani 1 1 d . . . . .
N14A N 0.3566(2) 0.2701(3) 0.37773(14) 0.0320(11) Uani 1 1 d . . . . .
N15A N 0.4073(2) -0.1017(3) 0.38675(14) 0.0365(12) Uani 1 1 d . . . . .
C1AA C 0.2478(3) 0.4968(3) 0.42441(15) 0.0291(13) Uani 1 1 d . . . . .
H1AA H 0.2628 0.5317 0.4474 0.035 Uiso 1 1 calc R . . . .
H1AB H 0.2799 0.4561 0.4213 0.035 Uiso 1 1 calc R . . . .
C2 C 0.0573(3) 0.9401(4) 0.39739(16) 0.0417(16) Uani 1 1 d . . . . .
H2A H 0.0544 0.8868 0.3839 0.050 Uiso 1 1 calc R . . . .
H2B H 0.0566 0.9824 0.3766 0.050 Uiso 1 1 calc R . . . .
C4 C 0.2270(3) 1.0019(3) 0.53574(18) 0.0355(14) Uani 1 1 d . . . . .
H4A H 0.2467 1.0559 0.5373 0.043 Uiso 1 1 calc R . . . .
H4B H 0.2572 0.9616 0.5289 0.043 Uiso 1 1 calc R . . . .
C5 C 0.0012(3) 0.9511(4) 0.41888(18) 0.0436(16) Uani 1 1 d . . . . .
H5A H 0.0038 1.0037 0.4330 0.052 Uiso 1 1 calc R . . . .
H5B H -0.0365 0.9512 0.3992 0.052 Uiso 1 1 calc R . . . .
C6 C 0.1689(3) 0.8163(3) 0.40492(16) 0.0320(13) Uani 1 1 d . . . . .
H6A H 0.1281 0.7937 0.3947 0.038 Uiso 1 1 calc R . . . .
H6B H 0.1990 0.7954 0.3882 0.038 Uiso 1 1 calc R . . . .
C7 C 0.0792(3) 0.7761(3) 0.29805(18) 0.0400(15) Uani 1 1 d . . . . .
H7A H 0.0702 0.8044 0.2721 0.048 Uiso 1 1 calc R . . . .
H7B H 0.1018 0.8141 0.3174 0.048 Uiso 1 1 calc R . . . .
C8 C 0.2361(3) 0.5092(4) 0.29419(17) 0.0359(14) Uani 1 1 d . . . . .
H8C H 0.2579 0.4785 0.3169 0.043 Uiso 1 1 calc R . . . .
H8D H 0.2637 0.5131 0.2735 0.043 Uiso 1 1 calc R . . . .
C9 C 0.1942(3) 0.7043(3) 0.44821(17) 0.0373(14) Uani 1 1 d . . . . .
H9A H 0.2286 0.6878 0.4340 0.045 Uiso 1 1 calc R . . . .
H9B H 0.1565 0.6772 0.4354 0.045 Uiso 1 1 calc R . . . .
C11 C 0.2728(2) 0.6272(4) 0.33689(16) 0.0347(14) Uani 1 1 d . . . . .
H11C H 0.2598 0.6808 0.3458 0.042 Uiso 1 1 calc R . . . .
H11D H 0.3093 0.6357 0.3232 0.042 Uiso 1 1 calc R . . . .
C12 C 0.4248(3) 0.1400(4) 0.48856(17) 0.0406(15) Uani 1 1 d . . . . .
H12A H 0.4170 0.1709 0.5124 0.049 Uiso 1 1 calc R . . . .
H12B H 0.4692 0.1426 0.4867 0.049 Uiso 1 1 calc R . . . .
C13 C 0.2913(2) 0.5735(4) 0.37390(16) 0.0372(15) Uani 1 1 d . . . . .
H13A H 0.3156 0.5265 0.3667 0.045 Uiso 1 1 calc R . . . .
H13B H 0.3168 0.6050 0.3948 0.045 Uiso 1 1 calc R . . . .
C14 C 0.2198(3) 0.0878(4) 0.33442(18) 0.0400(15) Uani 1 1 d . . . . .
H14A H 0.1869 0.1079 0.3139 0.048 Uiso 1 1 calc R . . . .
H14B H 0.2020 0.0792 0.3594 0.048 Uiso 1 1 calc R . . . .
C15 C 0.4025(3) 0.2608(4) 0.45083(19) 0.0424(16) Uani 1 1 d . . . . .
H15A H 0.4442 0.2693 0.4436 0.051 Uiso 1 1 calc R . . . .
H15B H 0.4008 0.2865 0.4771 0.051 Uiso 1 1 calc R . . . .
C16 C 0.1558(3) 0.8793(4) 0.61047(16) 0.0424(16) Uani 1 1 d . . . . .
H16A H 0.1172 0.9096 0.6112 0.051 Uiso 1 1 calc R . . . .
H16B H 0.1851 0.8947 0.6341 0.051 Uiso 1 1 calc R . . . .
C17 C 0.1872(3) 1.0405(3) 0.46879(17) 0.0356(14) Uani 1 1 d . . . . .
H17A H 0.2237 1.0149 0.4600 0.043 Uiso 1 1 calc R . . . .
H17B H 0.1961 1.0988 0.4736 0.043 Uiso 1 1 calc R . . . .
C18 C 0.0195(3) 0.7512(4) 0.31246(19) 0.0432(16) Uani 1 1 d . . . . .
H18A H -0.0073 0.7991 0.3134 0.052 Uiso 1 1 calc R . . . .
H18B H -0.0022 0.7113 0.2938 0.052 Uiso 1 1 calc R . . . .
C19 C 0.1764(3) 0.7263(4) 0.28280(18) 0.0391(15) Uani 1 1 d . . . . .
H19A H 0.2008 0.7555 0.3051 0.047 Uiso 1 1 calc R . . . .
H19B H 0.1711 0.7626 0.2593 0.047 Uiso 1 1 calc R . . . .
C20 C 0.4969(3) -0.0560(4) 0.3523(2) 0.0471(17) Uani 1 1 d . . . . .
H20A H 0.5198 -0.0415 0.3786 0.057 Uiso 1 1 calc R . . . .
H20B H 0.5267 -0.0755 0.3351 0.057 Uiso 1 1 calc R . . . .
C21 C 0.1668(3) 0.9090(3) 0.40283(17) 0.0372(15) Uani 1 1 d . . . . .
H21A H 0.2071 0.9309 0.4148 0.045 Uiso 1 1 calc R . . . .
H21B H 0.1598 0.9259 0.3746 0.045 Uiso 1 1 calc R . . . .
C22 C 0.1893(3) 0.4545(3) 0.43166(17) 0.0356(14) Uani 1 1 d . . . . .
H22A H 0.1753 0.4177 0.4092 0.043 Uiso 1 1 calc R . . . .
H22B H 0.1967 0.4219 0.4564 0.043 Uiso 1 1 calc R . . . .
C23 C 0.2074(3) 0.9808(3) 0.57555(17) 0.0378(14) Uani 1 1 d . . . . .
H23A H 0.2431 0.9837 0.5966 0.045 Uiso 1 1 calc R . . . .
H23B H 0.1763 1.0201 0.5821 0.045 Uiso 1 1 calc R . . . .
C24 C 0.2103(3) 0.6497(4) 0.27315(16) 0.0371(14) Uani 1 1 d . . . . .
H24A H 0.1857 0.6213 0.2507 0.044 Uiso 1 1 calc R . . . .
H24B H 0.2499 0.6652 0.2645 0.044 Uiso 1 1 calc R . . . .
C25 C 0.4055(3) 0.0530(4) 0.49232(16) 0.0408(15) Uani 1 1 d . . . . .
H25A H 0.4256 0.0300 0.5178 0.049 Uiso 1 1 calc R . . . .
H25B H 0.3605 0.0499 0.4920 0.049 Uiso 1 1 calc R . . . .
C26 C 0.3064(3) -0.1072(4) 0.34161(19) 0.0433(16) Uani 1 1 d . . . . .
H26A H 0.3293 -0.1020 0.3185 0.052 Uiso 1 1 calc R . . . .
H26B H 0.2704 -0.1425 0.3337 0.052 Uiso 1 1 calc R . . . .
C27 C 0.1593(3) 0.6534(4) 0.54925(17) 0.0448(17) Uani 1 1 d . . . . .
H27A H 0.1970 0.6725 0.5660 0.054 Uiso 1 1 calc R . . . .
H27B H 0.1628 0.5941 0.5457 0.054 Uiso 1 1 calc R . . . .
C28 C 0.1318(3) 1.0308(3) 0.43646(16) 0.0328(14) Uani 1 1 d . . . . .
H28A H 0.0954 1.0548 0.4463 0.039 Uiso 1 1 calc R . . . .
H28B H 0.1396 1.0620 0.4127 0.039 Uiso 1 1 calc R . . . .
C29 C 0.3549(3) 0.3000(4) 0.41944(19) 0.0444(16) Uani 1 1 d . . . . .
H29A H 0.3136 0.2898 0.4267 0.053 Uiso 1 1 calc R . . . .
H29B H 0.3616 0.3594 0.4200 0.053 Uiso 1 1 calc R . . . .
C30 C 0.2074(3) 0.6789(4) 0.49187(17) 0.0412(16) Uani 1 1 d . . . . .
H30A H 0.2185 0.6207 0.4937 0.049 Uiso 1 1 calc R . . . .
H30B H 0.2424 0.7105 0.5055 0.049 Uiso 1 1 calc R . . . .
C31 C -0.0218(3) 0.7087(4) 0.3713(2) 0.0440(16) Uani 1 1 d . . . . .
H31A H -0.0536 0.6776 0.3541 0.053 Uiso 1 1 calc R . . . .
H31B H -0.0383 0.7634 0.3754 0.053 Uiso 1 1 calc R . . . .
C32 C -0.0625(3) 0.8172(4) 0.4925(2) 0.0498(18) Uani 1 1 d . . . . .
H32A H -0.1032 0.8163 0.5019 0.060 Uiso 1 1 calc R . . . .
H32B H -0.0567 0.7652 0.4789 0.060 Uiso 1 1 calc R . . . .
C33 C -0.0593(3) 0.8874(5) 0.4637(2) 0.0510(19) Uani 1 1 d . . . . .
H33A H -0.0940 0.8837 0.4418 0.061 Uiso 1 1 calc R . . . .
H33B H -0.0629 0.9393 0.4778 0.061 Uiso 1 1 calc R . . . .
C34 C -0.0066(3) 0.6665(4) 0.4110(2) 0.0458(17) Uani 1 1 d . . . . .
H34A H 0.0245 0.6989 0.4280 0.055 Uiso 1 1 calc R . . . .
H34B H -0.0440 0.6647 0.4242 0.055 Uiso 1 1 calc R . . . .
C35 C 0.4261(3) 0.2654(4) 0.32437(19) 0.0490(17) Uani 1 1 d . . . . .
H35A H 0.3888 0.2564 0.3049 0.059 Uiso 1 1 calc R . . . .
H35B H 0.4551 0.2989 0.3114 0.059 Uiso 1 1 calc R . . . .
C36 C 0.4365(4) -0.1233(4) 0.42803(19) 0.0512(18) Uani 1 1 d . . . . .
H36A H 0.4809 -0.1107 0.4307 0.061 Uiso 1 1 calc R . . . .
H36B H 0.4322 -0.1823 0.4321 0.061 Uiso 1 1 calc R . . . .
C37 C 0.1781(3) 0.4629(4) 0.2773(2) 0.0478(17) Uani 1 1 d . . . . .
H37A H 0.1542 0.4948 0.2559 0.057 Uiso 1 1 calc R . . . .
H37B H 0.1893 0.4106 0.2660 0.057 Uiso 1 1 calc R . . . .
C38 C 0.1435(4) 0.7879(4) 0.61082(17) 0.0480(18) Uani 1 1 d . . . . .
H38A H 0.1821 0.7588 0.6083 0.058 Uiso 1 1 calc R . . . .
H38B H 0.1309 0.7731 0.6368 0.058 Uiso 1 1 calc R . . . .
C40 C 0.2487(3) 0.2238(4) 0.3550(2) 0.0454(16) Uani 1 1 d . . . . .
H40A H 0.2405 0.2180 0.3829 0.055 Uiso 1 1 calc R . . . .
H40B H 0.2099 0.2401 0.3385 0.055 Uiso 1 1 calc R . . . .
C41 C -0.0319(3) 0.5270(4) 0.3879(2) 0.0439(14) Uani 1 1 d . U . . .
H41A H -0.0375 0.4819 0.4063 0.053 Uiso 1 1 calc R . . . .
H41B H -0.0707 0.5581 0.3838 0.053 Uiso 1 1 calc R . . . .
C42 C 0.0422(3) 0.5505(5) 0.44909(19) 0.059(2) Uani 1 1 d . . . . .
H42A H 0.0076 0.5312 0.4624 0.071 Uiso 1 1 calc R . . . .
H42B H 0.0620 0.5959 0.4650 0.071 Uiso 1 1 calc R . . . .
C43 C 0.4732(3) 0.1445(4) 0.30289(18) 0.0475(17) Uani 1 1 d . . . . .
H43A H 0.5005 0.1791 0.2892 0.057 Uiso 1 1 calc R . . . .
H43B H 0.4367 0.1305 0.2836 0.057 Uiso 1 1 calc R . . . .
C44 C 0.3477(3) -0.1454(4) 0.3767(2) 0.0505(18) Uani 1 1 d . . . . .
H44A H 0.3257 -0.1456 0.4003 0.061 Uiso 1 1 calc R . . . .
H44B H 0.3560 -0.2025 0.3701 0.061 Uiso 1 1 calc R . . . .
C45 C 0.4091(3) 0.3094(4) 0.3609(2) 0.0454(16) Uani 1 1 d . . . . .
H45A H 0.4453 0.3108 0.3817 0.055 Uiso 1 1 calc R . . . .
H45B H 0.3979 0.3661 0.3536 0.055 Uiso 1 1 calc R . . . .
C46 C 0.7823(3) 0.5220(4) 0.1977(2) 0.0542(18) Uani 1 1 d . . . . .
H46A H 0.7669 0.5634 0.2150 0.065 Uiso 1 1 calc R . . . .
H46B H 0.7891 0.5488 0.1725 0.065 Uiso 1 1 calc R . . . .
C47 C 0.4081(3) -0.0779(4) 0.46043(19) 0.0454(16) Uani 1 1 d . . . . .
H47A H 0.3630 -0.0846 0.4562 0.055 Uiso 1 1 calc R . . . .
H47B H 0.4241 -0.1002 0.4869 0.055 Uiso 1 1 calc R . . . .
C48 C 0.4509(3) -0.1224(4) 0.35743(19) 0.0477(18) Uani 1 1 d . . . . .
H48A H 0.4267 -0.1340 0.3312 0.057 Uiso 1 1 calc R . . . .
H48B H 0.4735 -0.1724 0.3665 0.057 Uiso 1 1 calc R . . . .
C49 C -0.0197(3) 0.7668(5) 0.5564(2) 0.058(2) Uani 1 1 d . . . . .
H49A H -0.0191 0.7121 0.5444 0.070 Uiso 1 1 calc R . . . .
H49B H -0.0593 0.7734 0.5669 0.070 Uiso 1 1 calc R . . . .
C50 C 0.1039(4) 0.6720(4) 0.56971(18) 0.0489(18) Uani 1 1 d . . . . .
H50A H 0.0668 0.6517 0.5528 0.059 Uiso 1 1 calc R . . . .
H50B H 0.1079 0.6419 0.5952 0.059 Uiso 1 1 calc R . . . .
C51 C 0.6656(4) 0.2448(4) 0.2997(2) 0.059(2) Uani 1 1 d . . . . .
H51A H 0.6615 0.1986 0.3178 0.070 Uiso 1 1 calc R . . . .
H51B H 0.6376 0.2883 0.3062 0.070 Uiso 1 1 calc R . . . .
C52 C 0.0885(3) 0.4820(4) 0.4487(2) 0.0504(19) Uani 1 1 d . . . . .
H52A H 0.0986 0.4589 0.4758 0.060 Uiso 1 1 calc R . . . .
H52B H 0.0712 0.4383 0.4305 0.060 Uiso 1 1 calc R . . . .
C53 C 0.5063(3) 0.0686(5) 0.31777(19) 0.0506(18) Uani 1 1 d . . . . .
H53A H 0.5229 0.0414 0.2955 0.061 Uiso 1 1 calc R . . . .
H53B H 0.5412 0.0827 0.3383 0.061 Uiso 1 1 calc R . . . .
C54 C 0.8421(3) 0.4895(4) 0.2179(3) 0.062(2) Uani 1 1 d . . . . .
H54A H 0.8722 0.5344 0.2219 0.074 Uiso 1 1 calc R . . . .
H54B H 0.8579 0.4490 0.2003 0.074 Uiso 1 1 calc R . . . .
C55 C 0.6473(4) 0.2185(4) 0.2581(2) 0.060(2) Uani 1 1 d . . . . .
H55C H 0.6763 0.1765 0.2512 0.072 Uiso 1 1 calc R . . . .
H55D H 0.6059 0.1940 0.2556 0.072 Uiso 1 1 calc R . . . .
C56 C 0.0324(4) 0.7746(4) 0.5900(2) 0.055(2) Uani 1 1 d . . . . .
H56A H 0.0314 0.8297 0.6015 0.067 Uiso 1 1 calc R . . . .
H56B H 0.0259 0.7354 0.6111 0.067 Uiso 1 1 calc R . . . .
C58 C 0.0843(5) 0.4100(6) 0.2934(3) 0.109(4) Uani 1 1 d D U . . .
H58A H 0.0645 0.4422 0.2705 0.131 Uiso 1 1 calc R . . . .
H58B H 0.0934 0.3558 0.2832 0.131 Uiso 1 1 calc R . . . .
C59 C 0.6313(5) 0.1475(6) 0.4139(3) 0.093(3) Uani 1 1 d . . . . .
H59A H 0.6310 0.1299 0.3859 0.112 Uiso 1 1 calc R . . . .
H59B H 0.6364 0.0996 0.4316 0.112 Uiso 1 1 calc R . . . .
C60 C 0.5766(5) 0.1920(6) 0.4188(3) 0.095(3) Uani 1 1 d . U . . .
H60A H 0.5749 0.2015 0.4475 0.114 Uiso 1 1 calc R . . . .
H60B H 0.5399 0.1604 0.4079 0.114 Uiso 1 1 calc R . . . .
C61 C 0.0432(5) 0.4011(6) 0.3200(3) 0.104(3) Uani 1 1 d D U . . .
H61A H 0.0031 0.3887 0.3041 0.124 Uiso 1 1 calc R . . . .
H61B H 0.0557 0.3518 0.3357 0.124 Uiso 1 1 calc R . . . .
C62 C 0.6180(6) 0.3257(10) 0.5227(3) 0.037(4) Uani 0.56(3) 1 d . U P B 2
N7 N 0.6305(4) 0.3536(5) 0.4819(2) 0.0248(19) Uani 0.5 1 d . . P B 2
C2AA C 0.5770(3) 0.4545(4) 0.54407(17) 0.0334(13) Uani 1 1 d . U . B 1
H2AA H 0.5747 0.4624 0.5728 0.040 Uiso 1 1 calc R . . B 1
H2AB H 0.6200 0.4651 0.5400 0.040 Uiso 1 1 calc R . . B 1
C63 C 0.5655(6) 0.3763(7) 0.5358(3) 0.030(2) Uani 0.5 1 d . U P B 1
H63A H 0.5376 0.3587 0.5548 0.036 Uiso 0.5 1 calc R . P B 1
H63B H 0.6048 0.3480 0.5440 0.036 Uiso 0.5 1 calc R . P B 1
N8 N 0.5393(5) 0.3382(7) 0.4959(3) 0.048(3) Uani 0.5 1 d . . P B 1
H8A H 0.5300 0.3690 0.4748 0.058 Uiso 0.5 1 calc R . P B 1
H8B H 0.5337 0.2856 0.4941 0.058 Uiso 0.5 1 calc R . P B 1
C0AA C 0.2445(3) 0.0090(4) 0.32099(17) 0.0370(14) Uani 1 1 d . . . . .
H0AA H 0.2101 -0.0285 0.3125 0.044 Uiso 1 1 calc R . . . .
H0AB H 0.2666 0.0189 0.2979 0.044 Uiso 1 1 calc R . . . .
C57 C -0.0226(4) 0.4933(5) 0.3510(2) 0.0688(18) Uani 1 1 d . U . . .
H57A H -0.0546 0.4515 0.3442 0.083 Uiso 1 1 calc R . . . .
H57B H -0.0306 0.5366 0.3307 0.083 Uiso 1 1 calc R . . . .
C39 C 0.2972(3) 0.2891(4) 0.3527(2) 0.0467(16) Uani 1 1 d . . . . .
H39A H 0.3044 0.2953 0.3247 0.056 Uiso 1 1 calc R . . . .
H39B H 0.2816 0.3414 0.3615 0.056 Uiso 1 1 calc R . . . .
N65 N 0.5774(4) 0.2787(5) 0.3955(2) 0.113(3) Uani 1 1 d . U . . .
H65A H 0.6083 0.2909 0.3827 0.136 Uiso 1 1 calc R . . . .
H65B H 0.5469 0.3129 0.3957 0.136 Uiso 1 1 calc R . . . .
C62A C 0.5964(6) 0.3699(10) 0.5186(4) 0.025(5) Uani 0.44(3) 1 d . . P B 3
K3 K 0.53583(6) 0.44065(8) 0.42338(4) 0.0342(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Sn14 Rh2 2.7122(5) . ?
Sn14 Sn9 3.2381(5) . ?
Sn14 Sn10 2.9994(5) . ?
Sn14 Sn15 3.1116(5) . ?
Sn14 Sn17 3.0310(5) . ?
Sn14 K1 3.5978(11) 2_655 ?
Sn14 K2 3.8175(11) . ?
Rh1 Sn1 2.7304(5) . ?
Rh1 Sn2 2.7373(5) . ?
Rh1 Sn3 2.7595(5) . ?
Rh1 Sn4 2.7205(5) . ?
Rh1 Sn5 2.7211(5) . ?
Rh1 Sn6 2.7306(5) . ?
Rh1 Sn7 2.7141(5) . ?
Rh1 Sn8 2.7066(5) . ?
Rh1 Sn9 2.4974(5) . ?
Rh2 Sn9 2.4975(5) . ?
Rh2 Sn10 2.7008(5) . ?
Rh2 Sn11 2.7606(5) . ?
Rh2 Sn12 2.7046(5) . ?
Rh2 Sn13 2.6960(5) . ?
Rh2 Sn15 2.7456(5) . ?
Rh2 Sn16 2.7185(5) . ?
Rh2 Sn17 2.7538(5) . ?
Sn1 Sn2 3.1275(5) . ?
Sn1 Sn3 2.9954(5) . ?
Sn1 Sn4 3.2302(5) . ?
Sn1 Sn6 3.0124(5) . ?
Sn2 Sn3 3.0350(5) . ?
Sn2 Sn6 3.0492(5) . ?
Sn2 Sn8 3.1276(5) . ?
Sn3 Sn4 3.1083(5) . ?
Sn3 Sn8 3.0400(5) . ?
Sn3 K1 3.7816(11) 2_655 ?
Sn4 Sn5 2.9333(5) . ?
Sn4 Sn9 3.2755(5) . ?
Sn4 K1 3.7866(11) 2_655 ?
Sn5 Sn6 3.0325(5) . ?
Sn5 K3 3.9736(13) . ?
Sn6 Sn7 3.0219(5) . ?
Sn6 K3 3.7800(13) . ?
Sn7 Sn8 3.0014(5) . ?
Sn7 Sn9 3.2486(5) . ?
Sn7 K2 3.7792(11) . ?
Sn7 K3 4.0119(13) . ?
Sn8 Sn9 3.2468(5) . ?
Sn8 K1 3.8346(11) 2_655 ?
Sn8 K2 3.6820(11) . ?
Sn9 Sn10 3.2216(5) . ?
Sn9 Sn13 3.2396(5) . ?
Sn9 K1 3.9755(11) 2_655 ?
Sn9 K2 4.0232(11) . ?
Sn10 Sn11 3.0092(5) . ?
Sn10 K1 3.7283(11) 2_655 ?
Sn11 Sn12 3.0068(5) . ?
Sn11 Sn15 3.0513(5) . ?
Sn11 Sn16 3.0419(5) . ?
Sn12 Sn13 2.9773(5) . ?
Sn12 K3 3.6595(12) . ?
Sn13 Sn16 3.2090(5) . ?
Sn13 Sn17 3.1199(5) . ?
Sn13 K2 3.7701(11) . ?
Sn13 K3 3.7566(12) . ?
Sn15 Sn16 3.1613(5) . ?
Sn15 Sn17 3.0128(5) . ?
Sn16 Sn17 3.0048(5) . ?
Sn17 K2 3.6843(11) . ?
K1 Sn14 3.5979(11) 2_645 ?
K1 Sn3 3.7816(11) 2_645 ?
K1 Sn4 3.7865(11) 2_645 ?
K1 Sn8 3.8347(11) 2_645 ?
K1 Sn10 3.7283(11) 2_645 ?
K1 K2 3.3669(14) . ?
K1 N1 2.922(5) . ?
K1 N3 2.966(5) . ?
K1 N55 2.862(5) . ?
K1 N88 3.107(5) . ?
K1 C54 3.418(7) . ?
K1 C55 3.432(7) . ?
K2 N1 2.923(4) . ?
K2 N3 2.975(5) . ?
K2 N55 3.045(5) . ?
K2 N88 2.959(6) . ?
K2 C46 3.414(7) . ?
K2 C51 3.451(6) . ?
K5 O1 2.691(4) . ?
K5 O3 2.839(4) . ?
K5 O5 2.848(4) . ?
K5 O9 2.803(4) . ?
K5 O17 2.773(4) . ?
K5 O18 2.734(5) . ?
K5 N2 2.963(4) . ?
K5 N13A 2.929(4) . ?
K5 C57 3.359(9) . ?
K4 O7 2.825(4) . ?
K4 O8 2.867(4) . ?
K4 O12 2.857(4) . ?
K4 O13 2.785(4) . ?
K4 O14 2.815(4) . ?
K4 O16 2.768(4) . ?
K4 N14A 3.054(5) . ?
K4 N15A 3.054(5) . ?
K6 O2 2.813(4) . ?
K6 O4 2.815(4) . ?
K6 O6 2.808(4) . ?
K6 O10 2.765(4) . ?
K6 O11 2.859(3) . ?
K6 O15 2.881(4) . ?
K6 N4 2.989(4) . ?
K6 N5 3.005(4) . ?
O1 C1AA 1.418(6) . ?
O1 C13 1.426(6) . ?
O2 C16 1.434(6) . ?
O2 C23 1.432(6) . ?
O3 C7 1.428(7) . ?
O3 C19 1.421(7) . ?
O4 C4 1.427(6) . ?
O4 C17 1.421(6) . ?
O5 C22 1.409(7) . ?
O5 C52 1.418(6) . ?
O6 C5 1.425(7) . ?
O6 C33 1.416(7) . ?
O7 C26 1.423(7) . ?
O7 C0AA 1.416(6) . ?
O8 C25 1.438(6) . ?
O8 C47 1.414(7) . ?
O9 C18 1.423(7) . ?
O9 C31 1.419(7) . ?
O10 C27 1.415(6) . ?
O10 C30 1.414(7) . ?
O11 C6 1.414(6) . ?
O11 C9 1.424(6) . ?
O12 C35 1.432(7) . ?
O12 C43 1.423(7) . ?
O13 C20 1.408(7) . ?
O13 C53 1.419(7) . ?
O14 C14 1.432(6) . ?
O14 C40 1.410(7) . ?
O15 C32 1.418(7) . ?
O15 C49 1.417(8) . ?
O16 C12 1.417(7) . ?
O16 C15 1.414(7) . ?
O17 C37 1.407(7) . ?
O17 C58 1.431(9) . ?
O18 C61 1.317(8) . ?
O18 C57 1.345(9) . ?
N1 C46 1.405(8) . ?
N2 C34 1.475(8) . ?
N2 C41 1.468(7) . ?
N2 C42 1.482(8) . ?
N3 C54 1.520(9) . ?
N4 C38 1.471(8) . ?
N4 C50 1.473(7) . ?
N4 C56 1.472(8) . ?
N5 C2 1.469(7) . ?
N5 C21 1.477(7) . ?
N5 C28 1.472(7) . ?
N55 C55 1.398(8) . ?
N88 C51 1.534(10) . ?
N11 C59 1.494(13) . ?
N64 C2AA 1.215(10) . ?
N64 K3 2.715(9) 3_666 ?
N13A C8 1.466(7) . ?
N13A C11 1.463(7) . ?
N13A C24 1.469(7) . ?
N14A C29 1.472(7) . ?
N14A C45 1.472(7) . ?
N14A C39 1.460(7) . ?
N15A C36 1.470(8) . ?
N15A C44 1.466(8) . ?
N15A C48 1.480(8) . ?
C1AA C22 1.483(8) . ?
C2 C5 1.495(8) . ?
C4 C23 1.481(8) . ?
C6 C21 1.501(7) . ?
C7 C18 1.488(9) . ?
C8 C37 1.498(9) . ?
C9 C30 1.497(8) . ?
C11 C13 1.513(8) . ?
C12 C25 1.476(9) . ?
C14 C0AA 1.473(9) . ?
C15 C29 1.500(8) . ?
C16 C38 1.501(8) . ?
C17 C28 1.500(8) . ?
C19 C24 1.494(8) . ?
C20 C48 1.488(9) . ?
C26 C44 1.499(8) . ?
C27 C50 1.482(9) . ?
C31 C34 1.481(9) . ?
C32 C33 1.492(10) . ?
C35 C45 1.495(9) . ?
C36 C47 1.500(9) . ?
C40 C39 1.495(9) . ?
C41 C57 1.381(9) . ?
C42 C52 1.492(10) . ?
C43 C53 1.471(10) . ?
C46 C54 1.467(10) . ?
C49 C56 1.479(10) . ?
C51 C55 1.449(10) . ?
C58 C61 1.340(8) . ?
C59 C60 1.409(12) . ?
C60 N65 1.603(12) . ?
C62 N7 1.486(14) . ?
N7 K3 2.972(8) . ?
C2AA C63 1.310(12) . ?
C2AA K3 3.267(6) 3_666 ?
C63 N8 1.501(15) . ?
N8 K3 2.915(9) . ?
N65 K3 2.957(7) . ?
C62A K3 3.447(13) . ?
K3 N64 2.715(9) 3_666 ?
K3 C2AA 3.267(6) 3_666 ?

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
Rh2 Sn14 Sn9 48.650(11) . . ?
Rh2 Sn14 Sn10 56.170(11) . . ?
Rh2 Sn14 Sn15 55.748(11) . . ?
Rh2 Sn14 Sn17 56.979(11) . . ?
Rh2 Sn14 K1 110.46(2) . 2_655 ?
Rh2 Sn14 K2 86.943(19) . . ?
Sn9 Sn14 K1 70.898(18) . 2_655 ?
Sn9 Sn14 K2 68.967(17) . . ?
Sn10 Sn14 Sn9 62.054(10) . . ?
Sn10 Sn14 Sn15 65.969(11) . . ?
Sn10 Sn14 Sn17 108.915(14) . . ?
Sn10 Sn14 K1 68.13(2) . 2_655 ?
Sn10 Sn14 K2 130.598(19) . . ?
Sn15 Sn14 Sn9 102.769(12) . . ?
Sn15 Sn14 K1 130.16(2) . 2_655 ?
Sn15 Sn14 K2 122.02(2) . . ?
Sn17 Sn14 Sn9 90.064(12) . . ?
Sn17 Sn14 Sn15 58.725(11) . . ?
Sn17 Sn14 K1 159.99(2) . 2_655 ?
Sn17 Sn14 K2 63.886(19) . . ?
K1 Sn14 K2 102.21(3) 2_655 . ?
Sn1 Rh1 Sn2 69.779(13) . . ?
Sn1 Rh1 Sn3 66.132(13) . . ?
Sn2 Rh1 Sn3 67.026(13) . . ?
Sn4 Rh1 Sn1 72.682(14) . . ?
Sn4 Rh1 Sn2 130.636(16) . . ?
Sn4 Rh1 Sn3 69.108(13) . . ?
Sn4 Rh1 Sn5 65.238(13) . . ?
Sn4 Rh1 Sn6 123.121(16) . . ?
Sn5 Rh1 Sn1 76.505(13) . . ?
Sn5 Rh1 Sn2 131.660(16) . . ?
Sn5 Rh1 Sn3 127.458(16) . . ?
Sn5 Rh1 Sn6 67.594(13) . . ?
Sn6 Rh1 Sn1 66.957(13) . . ?
Sn6 Rh1 Sn2 67.787(13) . . ?
Sn6 Rh1 Sn3 123.024(16) . . ?
Sn7 Rh1 Sn1 129.827(16) . . ?
Sn7 Rh1 Sn2 74.643(13) . . ?
Sn7 Rh1 Sn3 128.072(16) . . ?
Sn7 Rh1 Sn4 154.047(17) . . ?
Sn7 Rh1 Sn5 104.070(15) . . ?
Sn7 Rh1 Sn6 67.423(13) . . ?
Sn8 Rh1 Sn1 127.327(17) . . ?
Sn8 Rh1 Sn2 70.128(13) . . ?
Sn8 Rh1 Sn3 67.574(13) . . ?
Sn8 Rh1 Sn4 111.959(15) . . ?
Sn8 Rh1 Sn5 155.283(17) . . ?
Sn8 Rh1 Sn6 124.120(16) . . ?
Sn8 Rh1 Sn7 67.242(13) . . ?
Sn9 Rh1 Sn1 147.078(18) . . ?
Sn9 Rh1 Sn2 142.870(17) . . ?
Sn9 Rh1 Sn3 115.695(16) . . ?
Sn9 Rh1 Sn4 77.637(14) . . ?
Sn9 Rh1 Sn5 78.396(14) . . ?
Sn9 Rh1 Sn6 121.277(17) . . ?
Sn9 Rh1 Sn7 76.998(14) . . ?
Sn9 Rh1 Sn8 77.088(14) . . ?
Sn14 Rh2 Sn11 122.790(16) . . ?
Sn14 Rh2 Sn15 69.514(13) . . ?
Sn14 Rh2 Sn16 127.849(16) . . ?
Sn14 Rh2 Sn17 67.350(13) . . ?
Sn9 Rh2 Sn14 76.737(14) . . ?
Sn9 Rh2 Sn10 76.483(14) . . ?
Sn9 Rh2 Sn11 122.043(17) . . ?
Sn9 Rh2 Sn12 79.921(14) . . ?
Sn9 Rh2 Sn13 77.081(14) . . ?
Sn9 Rh2 Sn15 142.267(17) . . ?
Sn9 Rh2 Sn16 146.657(17) . . ?
Sn9 Rh2 Sn17 115.280(16) . . ?
Sn10 Rh2 Sn14 67.297(12) . . ?
Sn10 Rh2 Sn11 66.859(13) . . ?
Sn10 Rh2 Sn12 102.313(15) . . ?
Sn10 Rh2 Sn15 75.330(13) . . ?
Sn10 Rh2 Sn16 130.611(16) . . ?
Sn10 Rh2 Sn17 128.204(16) . . ?
Sn12 Rh2 Sn14 156.102(17) . . ?
Sn12 Rh2 Sn11 66.749(12) . . ?
Sn12 Rh2 Sn15 130.489(16) . . ?
Sn12 Rh2 Sn16 75.586(14) . . ?
Sn12 Rh2 Sn17 128.930(16) . . ?
Sn13 Rh2 Sn14 112.067(15) . . ?
Sn13 Rh2 Sn10 152.862(17) . . ?
Sn13 Rh2 Sn11 124.368(16) . . ?
Sn13 Rh2 Sn12 66.910(13) . . ?
Sn13 Rh2 Sn15 131.068(17) . . ?
Sn13 Rh2 Sn16 72.692(14) . . ?
Sn13 Rh2 Sn17 69.837(14) . . ?
Sn15 Rh2 Sn11 67.305(12) . . ?
Sn15 Rh2 Sn17 66.437(13) . . ?
Sn16 Rh2 Sn11 67.441(14) . . ?
Sn16 Rh2 Sn15 70.695(13) . . ?
Sn16 Rh2 Sn17 66.607(13) . . ?
Sn17 Rh2 Sn11 122.618(16) . . ?
Rh1 Sn1 Sn2 55.214(11) . . ?
Rh1 Sn1 Sn3 57.400(12) . . ?
Rh1 Sn1 Sn4 53.517(11) . . ?
Rh1 Sn1 Sn6 56.524(11) . . ?
Sn2 Sn1 Sn4 102.515(12) . . ?
Sn3 Sn1 Sn2 59.381(11) . . ?
Sn3 Sn1 Sn4 59.763(11) . . ?
Sn3 Sn1 Sn6 106.867(13) . . ?
Sn6 Sn1 Sn2 59.517(11) . . ?
Sn6 Sn1 Sn4 100.261(13) . . ?
Rh1 Sn2 Sn1 55.007(11) . . ?
Rh1 Sn2 Sn3 56.836(11) . . ?
Rh1 Sn2 Sn6 56.002(12) . . ?
Rh1 Sn2 Sn8 54.475(11) . . ?
Sn3 Sn2 Sn1 58.142(11) . . ?
Sn3 Sn2 Sn6 104.951(13) . . ?
Sn3 Sn2 Sn8 59.094(11) . . ?
Sn6 Sn2 Sn1 58.364(11) . . ?
Sn6 Sn2 Sn8 102.086(13) . . ?
Sn8 Sn2 Sn1 102.337(12) . . ?
Rh1 Sn3 Sn1 56.468(11) . . ?
Rh1 Sn3 Sn2 56.138(11) . . ?
Rh1 Sn3 Sn4 54.854(11) . . ?
Rh1 Sn3 Sn8 55.385(11) . . ?
Rh1 Sn3 K1 87.374(19) . 2_655 ?
Sn1 Sn3 Sn2 62.476(11) . . ?
Sn1 Sn3 Sn4 63.873(11) . . ?
Sn1 Sn3 Sn8 107.672(13) . . ?
Sn1 Sn3 K1 128.91(2) . 2_655 ?
Sn2 Sn3 Sn4 107.651(13) . . ?
Sn2 Sn3 Sn8 61.971(12) . . ?
Sn2 Sn3 K1 128.38(2) . 2_655 ?
Sn4 Sn3 K1 65.834(18) . 2_655 ?
Sn8 Sn3 Sn4 94.036(13) . . ?
Sn8 Sn3 K1 67.394(19) . 2_655 ?
Rh1 Sn4 Sn1 53.801(11) . . ?
Rh1 Sn4 Sn3 56.038(11) . . ?
Rh1 Sn4 Sn5 57.391(12) . . ?
Rh1 Sn4 Sn9 48.140(11) . . ?
Rh1 Sn4 K1 87.83(2) . 2_655 ?
Sn1 Sn4 Sn9 100.835(12) . . ?
Sn1 Sn4 K1 121.36(2) . 2_655 ?
Sn3 Sn4 Sn1 56.364(10) . . ?
Sn3 Sn4 Sn9 88.418(12) . . ?
Sn3 Sn4 K1 65.668(19) . 2_655 ?
Sn5 Sn4 Sn1 66.204(11) . . ?
Sn5 Sn4 Sn3 108.834(14) . . ?
Sn5 Sn4 Sn9 63.995(11) . . ?
Sn5 Sn4 K1 131.93(2) . 2_655 ?
Sn9 Sn4 K1 68.074(18) . 2_655 ?
Rh1 Sn5 Sn4 57.371(12) . . ?
Rh1 Sn5 Sn6 56.352(12) . . ?
Rh1 Sn5 K3 95.73(2) . . ?
Sn4 Sn5 Sn6 106.910(14) . . ?
Sn4 Sn5 K3 147.18(2) . . ?
Sn6 Sn5 K3 63.65(2) . . ?
Rh1 Sn6 Sn1 56.519(11) . . ?
Rh1 Sn6 Sn2 56.211(11) . . ?
Rh1 Sn6 Sn5 56.054(11) . . ?
Rh1 Sn6 Sn7 56.028(12) . . ?
Rh1 Sn6 K3 100.07(2) . . ?
Sn1 Sn6 Sn2 62.119(11) . . ?
Sn1 Sn6 Sn5 67.883(12) . . ?
Sn1 Sn6 Sn7 109.601(13) . . ?
Sn1 Sn6 K3 138.25(2) . . ?
Sn2 Sn6 K3 137.25(2) . . ?
Sn5 Sn6 Sn2 109.936(13) . . ?
Sn5 Sn6 K3 70.39(2) . . ?
Sn7 Sn6 Sn2 65.967(11) . . ?
Sn7 Sn6 Sn5 90.105(13) . . ?
Sn7 Sn6 K3 71.30(2) . . ?
Rh1 Sn7 Sn6 56.549(11) . . ?
Rh1 Sn7 Sn8 56.260(11) . . ?
Rh1 Sn7 Sn9 48.509(11) . . ?
Rh1 Sn7 K2 107.33(2) . . ?
Rh1 Sn7 K3 94.99(2) . . ?
Sn6 Sn7 Sn9 93.180(13) . . ?
Sn6 Sn7 K2 162.38(2) . . ?
Sn6 Sn7 K3 63.18(2) . . ?
Sn8 Sn7 Sn6 105.779(14) . . ?
Sn8 Sn7 Sn9 62.449(11) . . ?
Sn8 Sn7 K2 64.591(19) . . ?
Sn8 Sn7 K3 146.00(2) . . ?
Sn9 Sn7 K2 69.373(18) . . ?
Sn9 Sn7 K3 85.28(2) . . ?
K2 Sn7 K3 115.77(3) . . ?
Rh1 Sn8 Sn2 55.396(11) . . ?
Rh1 Sn8 Sn3 57.041(11) . . ?
Rh1 Sn8 Sn7 56.498(12) . . ?
Rh1 Sn8 Sn9 48.568(11) . . ?
Rh1 Sn8 K1 87.043(19) . 2_655 ?
Rh1 Sn8 K2 110.18(2) . . ?
Sn2 Sn8 Sn9 102.243(12) . . ?
Sn2 Sn8 K1 123.607(19) . 2_655 ?
Sn2 Sn8 K2 129.66(2) . . ?
Sn3 Sn8 Sn2 58.935(11) . . ?
Sn3 Sn8 Sn9 90.128(12) . . ?
Sn3 Sn8 K1 65.562(19) . 2_655 ?
Sn3 Sn8 K2 159.87(2) . . ?
Sn7 Sn8 Sn2 65.229(11) . . ?
Sn7 Sn8 Sn3 109.087(13) . . ?
Sn7 Sn8 Sn9 62.508(11) . . ?
Sn7 Sn8 K1 129.99(2) . 2_655 ?
Sn7 Sn8 K2 67.991(19) . . ?
Sn9 Sn8 K1 67.717(18) . 2_655 ?
Sn9 Sn8 K2 70.673(18) . . ?
K2 Sn8 K1 100.33(2) . 2_655 ?
Sn14 Sn9 Sn4 113.755(13) . . ?
Sn14 Sn9 Sn7 123.521(13) . . ?
Sn14 Sn9 Sn8 91.153(11) . . ?
Sn14 Sn9 Sn13 87.647(11) . . ?
Sn14 Sn9 K1 58.778(17) . 2_655 ?
Sn14 Sn9 K2 62.334(17) . . ?
Rh1 Sn9 Sn14 141.018(16) . . ?
Rh1 Sn9 Sn4 54.223(12) . . ?
Rh1 Sn9 Sn7 54.493(12) . . ?
Rh1 Sn9 Sn8 54.344(11) . . ?
Rh1 Sn9 Sn10 126.112(16) . . ?
Rh1 Sn9 Sn13 120.362(15) . . ?
Rh1 Sn9 K1 86.88(2) . 2_655 ?
Rh1 Sn9 K2 105.40(2) . . ?
Rh2 Sn9 Sn14 54.612(11) . . ?
Rh2 Sn9 Rh1 163.902(18) . . ?
Rh2 Sn9 Sn4 121.483(15) . . ?
Rh2 Sn9 Sn7 125.169(16) . . ?
Rh2 Sn9 Sn8 140.934(15) . . ?
Rh2 Sn9 Sn10 54.600(12) . . ?
Rh2 Sn9 Sn13 54.208(12) . . ?
Rh2 Sn9 K1 104.82(2) . 2_655 ?
Rh2 Sn9 K2 85.440(19) . . ?
Sn4 Sn9 K1 62.079(18) . 2_655 ?
Sn4 Sn9 K2 145.682(19) . . ?
Sn7 Sn9 Sn4 108.529(13) . . ?
Sn7 Sn9 K1 118.05(2) . 2_655 ?
Sn7 Sn9 K2 61.540(18) . . ?
Sn8 Sn9 Sn4 87.205(11) . . ?
Sn8 Sn9 Sn7 55.043(10) . . ?
Sn8 Sn9 K1 63.194(18) . 2_655 ?
Sn8 Sn9 K2 59.725(17) . . ?
Sn10 Sn9 Sn14 55.331(10) . . ?
Sn10 Sn9 Sn4 72.165(12) . . ?
Sn10 Sn9 Sn7 178.831(14) . . ?
Sn10 Sn9 Sn8 124.258(13) . . ?
Sn10 Sn9 Sn13 108.575(13) . . ?
Sn10 Sn9 K1 61.345(18) . 2_655 ?
Sn10 Sn9 K2 117.347(19) . . ?
Sn13 Sn9 Sn4 150.660(13) . . ?
Sn13 Sn9 Sn7 71.314(12) . . ?
Sn13 Sn9 Sn8 113.323(13) . . ?
Sn13 Sn9 K1 145.262(19) . 2_655 ?
Sn13 Sn9 K2 61.428(18) . . ?
K1 Sn9 K2 92.39(2) 2_655 . ?
Sn14 Sn10 Sn9 62.615(11) . . ?
Sn14 Sn10 Sn11 106.199(14) . . ?
Sn14 Sn10 K1 63.578(19) . 2_655 ?
Rh2 Sn10 Sn14 56.533(11) . . ?
Rh2 Sn10 Sn9 48.917(11) . . ?
Rh2 Sn10 Sn11 57.521(11) . . ?
Rh2 Sn10 K1 107.12(2) . 2_655 ?
Sn9 Sn10 K1 69.344(18) . 2_655 ?
Sn11 Sn10 Sn9 95.151(12) . . ?
Sn11 Sn10 K1 163.94(2) . 2_655 ?
Rh2 Sn11 Sn10 55.621(12) . . ?
Rh2 Sn11 Sn12 55.734(11) . . ?
Rh2 Sn11 Sn15 56.113(11) . . ?
Rh2 Sn11 Sn16 55.620(11) . . ?
Sn10 Sn11 Sn15 66.615(11) . . ?
Sn10 Sn11 Sn16 108.916(13) . . ?
Sn12 Sn11 Sn10 88.825(12) . . ?
Sn12 Sn11 Sn15 109.564(13) . . ?
Sn12 Sn11 Sn16 66.653(12) . . ?
Sn16 Sn11 Sn15 62.505(11) . . ?
Rh2 Sn12 Sn11 57.516(12) . . ?
Rh2 Sn12 Sn13 56.407(11) . . ?
Rh2 Sn12 K3 120.69(2) . . ?
Sn11 Sn12 K3 172.95(2) . . ?
Sn13 Sn12 Sn11 107.511(13) . . ?
Sn13 Sn12 K3 68.05(2) . . ?
Rh2 Sn13 Sn9 48.711(11) . . ?
Rh2 Sn13 Sn12 56.683(12) . . ?
Rh2 Sn13 Sn16 53.977(11) . . ?
Rh2 Sn13 Sn17 55.951(11) . . ?
Rh2 Sn13 K2 88.15(2) . . ?
Rh2 Sn13 K3 117.74(2) . . ?
Sn9 Sn13 K2 69.579(18) . . ?
Sn9 Sn13 K3 89.76(2) . . ?
Sn12 Sn13 Sn9 64.938(11) . . ?
Sn12 Sn13 Sn16 64.862(11) . . ?
Sn12 Sn13 Sn17 107.739(13) . . ?
Sn12 Sn13 K2 134.01(2) . . ?
Sn12 Sn13 K3 64.63(2) . . ?
Sn16 Sn13 Sn9 101.592(13) . . ?
Sn16 Sn13 K2 120.12(2) . . ?
Sn16 Sn13 K3 116.29(2) . . ?
Sn17 Sn13 Sn9 88.485(11) . . ?
Sn17 Sn13 Sn16 56.669(11) . . ?
Sn17 Sn13 K2 63.835(18) . . ?
Sn17 Sn13 K3 172.12(2) . . ?
K3 Sn13 K2 122.53(3) . . ?
Sn14 Sn15 Sn16 102.085(13) . . ?
Rh2 Sn15 Sn14 54.739(11) . . ?
Rh2 Sn15 Sn11 56.582(11) . . ?
Rh2 Sn15 Sn16 54.252(11) . . ?
Rh2 Sn15 Sn17 56.912(11) . . ?
Sn11 Sn15 Sn14 102.452(13) . . ?
Sn11 Sn15 Sn16 58.601(11) . . ?
Sn17 Sn15 Sn14 59.301(11) . . ?
Sn17 Sn15 Sn11 105.822(13) . . ?
Sn17 Sn15 Sn16 58.187(11) . . ?
Rh2 Sn16 Sn11 56.939(11) . . ?
Rh2 Sn16 Sn13 53.331(11) . . ?
Rh2 Sn16 Sn15 55.053(11) . . ?
Rh2 Sn16 Sn17 57.259(12) . . ?
Sn11 Sn16 Sn13 101.050(13) . . ?
Sn11 Sn16 Sn15 58.894(11) . . ?
Sn15 Sn16 Sn13 102.067(13) . . ?
Sn17 Sn16 Sn11 106.258(13) . . ?
Sn17 Sn16 Sn13 60.170(11) . . ?
Sn17 Sn16 Sn15 58.431(11) . . ?
Sn14 Sn17 Sn13 93.633(12) . . ?
Sn14 Sn17 K2 68.49(2) . . ?
Rh2 Sn17 Sn14 55.671(11) . . ?
Rh2 Sn17 Sn13 54.212(11) . . ?
Rh2 Sn17 Sn15 56.651(12) . . ?
Rh2 Sn17 Sn16 56.134(11) . . ?
Rh2 Sn17 K2 89.062(19) . . ?
Sn13 Sn17 K2 66.698(18) . . ?
Sn15 Sn17 Sn14 61.973(12) . . ?
Sn15 Sn17 Sn13 107.721(13) . . ?
Sn15 Sn17 K2 129.77(2) . . ?
Sn16 Sn17 Sn14 107.833(13) . . ?
Sn16 Sn17 Sn13 63.161(11) . . ?
Sn16 Sn17 Sn15 63.381(11) . . ?
Sn16 Sn17 K2 129.39(2) . . ?
Sn14 K1 Sn3 117.29(3) 2_645 2_645 ?
Sn14 K1 Sn4 95.21(2) 2_645 2_645 ?
Sn14 K1 Sn8 77.02(2) 2_645 2_645 ?
Sn14 K1 Sn10 48.293(15) 2_645 2_645 ?
Sn3 K1 Sn4 48.498(15) 2_645 2_645 ?
Sn3 K1 Sn8 47.043(14) 2_645 2_645 ?
Sn4 K1 Sn8 72.340(19) 2_645 2_645 ?
Sn10 K1 Sn3 106.82(3) 2_645 2_645 ?
Sn10 K1 Sn4 61.217(18) 2_645 2_645 ?
Sn10 K1 Sn8 98.23(2) 2_645 2_645 ?
K2 K1 Sn14 124.92(4) . 2_645 ?
K2 K1 Sn3 115.29(3) . 2_645 ?
K2 K1 Sn4 132.68(4) . 2_645 ?
K2 K1 Sn8 134.79(4) . 2_645 ?
K2 K1 Sn10 126.29(4) . 2_645 ?
K2 K1 C54 67.33(11) . . ?
K2 K1 C55 68.13(13) . . ?
N1 K1 Sn14 158.71(11) . 2_645 ?
N1 K1 Sn3 73.71(9) . 2_645 ?
N1 K1 Sn4 78.53(9) . 2_645 ?
N1 K1 Sn8 119.24(10) . 2_645 ?
N1 K1 Sn10 112.43(10) . 2_645 ?
N1 K1 K2 54.83(9) . . ?
N1 K1 N3 60.01(14) . . ?
N1 K1 N88 108.97(14) . . ?
N1 K1 C54 43.39(16) . . ?
N1 K1 C55 104.71(16) . . ?
N3 K1 Sn14 101.15(10) . 2_645 ?
N3 K1 Sn3 127.55(11) . 2_645 ?
N3 K1 Sn4 96.56(10) . 2_645 ?
N3 K1 Sn8 168.38(10) . 2_645 ?
N3 K1 Sn10 72.77(9) . 2_645 ?
N3 K1 K2 55.60(9) . . ?
N3 K1 N88 83.30(17) . . ?
N3 K1 C54 26.35(16) . . ?
N3 K1 C55 119.57(16) . . ?
N55 K1 Sn14 116.49(11) . 2_645 ?
N55 K1 Sn3 80.90(12) . 2_645 ?
N55 K1 Sn4 129.05(12) . 2_645 ?
N55 K1 Sn8 77.14(10) . 2_645 ?
N55 K1 Sn10 164.70(11) . 2_645 ?
N55 K1 K2 57.85(10) . . ?
N55 K1 N1 82.23(14) . . ?
N55 K1 N3 113.45(14) . . ?
N55 K1 N88 58.48(17) . . ?
N55 K1 C54 119.14(15) . . ?
N55 K1 C55 23.50(16) . . ?
N88 K1 Sn14 75.94(10) . 2_645 ?
N88 K1 Sn3 137.64(14) . 2_645 ?
N88 K1 Sn4 170.90(11) . 2_645 ?
N88 K1 Sn8 107.10(14) . 2_645 ?
N88 K1 Sn10 110.32(12) . 2_645 ?
N88 K1 K2 54.22(11) . . ?
N88 K1 C54 108.04(19) . . ?
N88 K1 C55 44.00(19) . . ?
C54 K1 Sn14 115.35(13) . 2_645 ?
C54 K1 Sn3 101.65(15) . 2_645 ?
C54 K1 Sn4 73.58(13) . 2_645 ?
C54 K1 Sn8 144.65(14) . 2_645 ?
C54 K1 Sn10 72.96(11) . 2_645 ?
C54 K1 C55 135.30(17) . . ?
C55 K1 Sn14 93.11(13) . 2_645 ?
C55 K1 Sn3 93.75(14) . 2_645 ?
C55 K1 Sn4 140.44(14) . 2_645 ?
C55 K1 Sn8 72.05(13) . 2_645 ?
C55 K1 Sn10 141.19(13) . 2_645 ?
Sn7 K2 Sn14 97.57(2) . . ?
Sn8 K2 Sn14 76.25(2) . . ?
Sn8 K2 Sn7 47.418(15) . . ?
Sn8 K2 Sn13 93.29(2) . . ?
Sn8 K2 Sn17 116.90(3) . . ?
Sn13 K2 Sn14 72.47(2) . . ?
Sn13 K2 Sn7 60.131(17) . . ?
Sn17 K2 Sn14 47.620(15) . . ?
Sn17 K2 Sn7 106.86(3) . . ?
Sn17 K2 Sn13 49.467(16) . . ?
K1 K2 Sn14 129.23(4) . . ?
K1 K2 Sn7 132.27(4) . . ?
K1 K2 Sn8 127.27(4) . . ?
K1 K2 Sn13 135.28(4) . . ?
K1 K2 Sn17 111.58(3) . . ?
K1 K2 C46 66.52(12) . . ?
K1 K2 C51 68.84(11) . . ?
N1 K2 Sn14 75.20(9) . . ?
N1 K2 Sn7 159.10(10) . . ?
N1 K2 Sn8 111.73(10) . . ?
N1 K2 Sn13 132.48(11) . . ?
N1 K2 Sn17 83.01(10) . . ?
N1 K2 K1 54.82(9) . . ?
N1 K2 N3 59.91(14) . . ?
N1 K2 N55 79.16(14) . . ?
N1 K2 N88 113.15(14) . . ?
N1 K2 C46 24.05(15) . . ?
N1 K2 C51 116.60(14) . . ?
N3 K2 Sn14 108.89(11) . . ?
N3 K2 Sn7 105.85(10) . . ?
N3 K2 Sn8 73.61(9) . . ?
N3 K2 Sn13 165.69(10) . . ?
N3 K2 Sn17 141.84(11) . . ?
N3 K2 K1 55.36(10) . . ?
N3 K2 N55 108.08(13) . . ?
N3 K2 C46 45.28(16) . . ?
N3 K2 C51 110.08(17) . . ?
N55 K2 Sn14 114.24(10) . . ?
N55 K2 Sn7 121.32(11) . . ?
N55 K2 Sn8 167.12(11) . . ?
N55 K2 Sn13 83.41(10) . . ?
N55 K2 Sn17 70.06(10) . . ?
N55 K2 K1 52.72(9) . . ?
N55 K2 C46 102.33(16) . . ?
N55 K2 C51 42.00(16) . . ?
N88 K2 Sn14 165.34(14) . . ?
N88 K2 Sn7 78.51(10) . . ?
N88 K2 Sn8 109.75(13) . . ?
N88 K2 Sn13 93.55(13) . . ?
N88 K2 Sn17 119.64(15) . . ?
N88 K2 K1 58.41(10) . . ?
N88 K2 N3 85.75(18) . . ?
N88 K2 N55 58.25(17) . . ?
N88 K2 C46 121.50(17) . . ?
N88 K2 C51 26.27(18) . . ?
C46 K2 Sn14 71.17(12) . . ?
C46 K2 Sn7 135.09(12) . . ?
C46 K2 Sn8 87.92(12) . . ?
C46 K2 Sn13 142.20(13) . . ?
C46 K2 Sn17 96.88(13) . . ?
C46 K2 C51 134.92(16) . . ?
C51 K2 Sn14 139.60(14) . . ?
C51 K2 Sn7 81.77(11) . . ?
C51 K2 Sn8 125.16(13) . . ?
C51 K2 Sn13 72.47(12) . . ?
C51 K2 Sn17 93.60(15) . . ?
O1 K5 O3 111.77(11) . . ?
O1 K5 O5 59.06(10) . . ?
O1 K5 O9 140.64(12) . . ?
O1 K5 O17 78.88(14) . . ?
O1 K5 O18 117.21(17) . . ?
O1 K5 N2 119.11(12) . . ?
O1 K5 N13A 58.86(11) . . ?
O1 K5 C57 135.44(17) . . ?
O3 K5 O5 157.94(11) . . ?
O3 K5 N2 120.03(13) . . ?
O3 K5 N13A 60.26(12) . . ?
O3 K5 C57 110.21(17) . . ?
O5 K5 N2 60.88(12) . . ?
O5 K5 N13A 117.50(11) . . ?
O5 K5 C57 85.83(16) . . ?
O9 K5 O3 60.25(11) . . ?
O9 K5 O5 112.47(12) . . ?
O9 K5 N2 60.50(13) . . ?
O9 K5 N13A 119.15(12) . . ?
O9 K5 C57 75.17(16) . . ?
O17 K5 O3 96.73(14) . . ?
O17 K5 O5 100.54(15) . . ?
O17 K5 O9 137.82(16) . . ?
O17 K5 N2 121.57(13) . . ?
O17 K5 N13A 61.06(13) . . ?
O17 K5 C57 82.08(17) . . ?
O18 K5 O3 119.00(17) . . ?
O18 K5 O5 81.63(17) . . ?
O18 K5 O9 97.29(15) . . ?
O18 K5 O17 61.43(14) . . ?
O18 K5 N2 61.24(14) . . ?
O18 K5 N13A 121.70(14) . . ?
O18 K5 C57 22.65(17) . . ?
N2 K5 C57 44.76(16) . . ?
N13A K5 N2 176.80(13) . . ?
N13A K5 C57 138.44(16) . . ?
O7 K4 O8 98.76(11) . . ?
O7 K4 O12 128.43(11) . . ?
O7 K4 N14A 119.74(12) . . ?
O7 K4 N15A 60.26(12) . . ?
O8 K4 N14A 120.22(12) . . ?
O8 K4 N15A 59.62(12) . . ?
O12 K4 O8 126.69(12) . . ?
O12 K4 N14A 60.42(12) . . ?
O12 K4 N15A 119.75(13) . . ?
O13 K4 O7 92.44(12) . . ?
O13 K4 O8 100.19(12) . . ?
O13 K4 O12 59.94(12) . . ?
O13 K4 O14 117.05(12) . . ?
O13 K4 N14A 119.96(13) . . ?
O13 K4 N15A 60.22(13) . . ?
O14 K4 O7 61.37(11) . . ?
O14 K4 O8 137.19(11) . . ?
O14 K4 O12 91.68(11) . . ?
O14 K4 N14A 58.77(11) . . ?
O14 K4 N15A 121.25(12) . . ?
O16 K4 O7 126.45(12) . . ?
O16 K4 O8 59.82(11) . . ?
O16 K4 O12 99.45(12) . . ?
O16 K4 O13 136.66(12) . . ?
O16 K4 O14 99.92(11) . . ?
O16 K4 N14A 60.57(12) . . ?
O16 K4 N15A 119.26(13) . . ?
N14A K4 N15A 179.81(14) . . ?
O2 K6 O4 60.11(10) . . ?
O2 K6 O11 108.80(11) . . ?
O2 K6 O15 103.39(12) . . ?
O2 K6 N4 60.63(12) . . ?
O2 K6 N5 119.81(12) . . ?
O4 K6 O11 88.58(10) . . ?
O4 K6 O15 125.96(11) . . ?
O4 K6 N4 119.61(12) . . ?
O4 K6 N5 60.71(11) . . ?
O6 K6 O2 145.87(11) . . ?
O6 K6 O4 103.83(12) . . ?
O6 K6 O11 100.02(11) . . ?
O6 K6 O15 59.63(12) . . ?
O6 K6 N4 118.66(14) . . ?
O6 K6 N5 60.68(12) . . ?
O10 K6 O2 89.77(11) . . ?
O10 K6 O4 128.45(12) . . ?
O10 K6 O6 120.75(12) . . ?
O10 K6 O11 60.96(11) . . ?
O10 K6 O15 99.76(12) . . ?
O10 K6 N4 60.87(12) . . ?
O10 K6 N5 119.48(11) . . ?
O11 K6 O15 141.76(11) . . ?
O11 K6 N4 120.67(12) . . ?
O11 K6 N5 59.79(11) . . ?
O15 K6 N4 60.09(13) . . ?
O15 K6 N5 119.23(13) . . ?
N4 K6 N5 179.33(14) . . ?
C1AA O1 K5 121.5(3) . . ?
C1AA O1 C13 113.5(4) . . ?
C13 O1 K5 125.0(3) . . ?
C16 O2 K6 114.9(3) . . ?
C23 O2 K6 116.9(3) . . ?
C23 O2 C16 111.5(4) . . ?
C7 O3 K5 115.4(3) . . ?
C19 O3 K5 115.5(3) . . ?
C19 O3 C7 112.1(4) . . ?
C4 O4 K6 112.6(3) . . ?
C17 O4 K6 120.0(3) . . ?
C17 O4 C4 111.6(4) . . ?
C22 O5 K5 103.9(3) . . ?
C22 O5 C52 113.2(5) . . ?
C52 O5 K5 112.3(3) . . ?
C5 O6 K6 117.1(3) . . ?
C33 O6 K6 117.0(3) . . ?
C33 O6 C5 111.3(5) . . ?
C26 O7 K4 115.4(3) . . ?
C0AA O7 K4 110.2(3) . . ?
C0AA O7 C26 111.8(4) . . ?
C25 O8 K4 112.2(3) . . ?
C47 O8 K4 114.3(3) . . ?
C47 O8 C25 112.4(4) . . ?
C18 O9 K5 113.5(3) . . ?
C31 O9 K5 120.0(3) . . ?
C31 O9 C18 112.0(4) . . ?
C27 O10 K6 120.6(3) . . ?
C30 O10 K6 114.1(3) . . ?
C30 O10 C27 110.6(4) . . ?
C6 O11 K6 114.8(3) . . ?
C6 O11 C9 110.3(4) . . ?
C9 O11 K6 112.2(3) . . ?
C35 O12 K4 114.9(3) . . ?
C43 O12 K4 111.2(3) . . ?
C43 O12 C35 111.3(5) . . ?
C20 O13 K4 113.9(3) . . ?
C20 O13 C53 111.8(5) . . ?
C53 O13 K4 117.0(3) . . ?
C14 O14 K4 113.8(3) . . ?
C40 O14 K4 116.6(3) . . ?
C40 O14 C14 112.4(4) . . ?
C32 O15 K6 112.5(3) . . ?
C49 O15 K6 117.1(4) . . ?
C49 O15 C32 111.2(5) . . ?
C12 O16 K4 117.3(3) . . ?
C15 O16 K4 117.5(3) . . ?
C15 O16 C12 111.1(4) . . ?
C37 O17 K5 117.2(4) . . ?
C37 O17 C58 110.0(6) . . ?
C58 O17 K5 109.4(5) . . ?
C61 O18 K5 115.4(5) . . ?
C61 O18 C57 127.4(7) . . ?
C57 O18 K5 105.8(5) . . ?
K1 N1 K2 70.34(10) . . ?
C46 N1 K1 113.8(4) . . ?
C46 N1 K2 98.0(4) . . ?
C34 N2 K5 108.4(3) . . ?
C34 N2 C42 110.0(5) . . ?
C41 N2 K5 106.5(3) . . ?
C41 N2 C34 110.6(5) . . ?
C41 N2 C42 111.4(5) . . ?
C42 N2 K5 109.8(3) . . ?
K1 N3 K2 69.05(11) . . ?
C54 N3 K1 93.7(3) . . ?
C54 N3 K2 109.3(3) . . ?
C38 N4 K6 110.0(3) . . ?
C38 N4 C50 109.6(5) . . ?
C38 N4 C56 109.9(5) . . ?
C50 N4 K6 106.9(3) . . ?
C56 N4 K6 109.8(4) . . ?
C56 N4 C50 110.6(5) . . ?
C2 N5 K6 109.2(3) . . ?
C2 N5 C21 109.0(4) . . ?
C2 N5 C28 110.6(4) . . ?
C21 N5 K6 110.9(3) . . ?
C28 N5 K6 105.8(3) . . ?
C28 N5 C21 111.3(4) . . ?
K1 N55 K2 69.42(11) . . ?
C55 N55 K1 101.8(4) . . ?
C55 N55 K2 112.6(5) . . ?
K2 N88 K1 67.37(12) . . ?
C51 N88 K1 107.4(4) . . ?
C51 N88 K2 95.1(3) . . ?
C2AA N64 K3 106.1(6) . 3_666 ?
C8 N13A K5 109.1(3) . . ?
C8 N13A C24 111.0(4) . . ?
C11 N13A K5 102.3(3) . . ?
C11 N13A C8 113.1(4) . . ?
C11 N13A C24 108.4(4) . . ?
C24 N13A K5 112.8(3) . . ?
C29 N14A K4 107.8(3) . . ?
C29 N14A C45 109.4(5) . . ?
C45 N14A K4 107.5(3) . . ?
C39 N14A K4 111.8(3) . . ?
C39 N14A C29 109.5(5) . . ?
C39 N14A C45 110.7(5) . . ?
C36 N15A K4 109.4(3) . . ?
C36 N15A C48 109.3(5) . . ?
C44 N15A K4 108.6(4) . . ?
C44 N15A C36 110.4(5) . . ?
C44 N15A C48 110.8(5) . . ?
C48 N15A K4 108.3(3) . . ?
O1 C1AA C22 109.2(4) . . ?
N5 C2 C5 114.1(5) . . ?
O4 C4 C23 109.7(5) . . ?
O6 C5 C2 110.0(5) . . ?
O11 C6 C21 109.1(4) . . ?
O3 C7 C18 110.1(5) . . ?
N13A C8 C37 112.5(5) . . ?
O11 C9 C30 109.5(4) . . ?
N13A C11 C13 114.0(5) . . ?
O16 C12 C25 109.3(5) . . ?
O1 C13 C11 108.8(4) . . ?
O14 C14 C0AA 109.7(5) . . ?
O16 C15 C29 109.8(5) . . ?
O2 C16 C38 108.3(5) . . ?
O4 C17 C28 109.1(5) . . ?
O9 C18 C7 109.4(5) . . ?
O3 C19 C24 109.7(5) . . ?
O13 C20 C48 109.5(5) . . ?
N5 C21 C6 112.8(4) . . ?
O5 C22 C1AA 108.7(4) . . ?
O2 C23 C4 109.7(4) . . ?
N13A C24 C19 113.1(4) . . ?
O8 C25 C12 108.6(5) . . ?
O7 C26 C44 110.0(5) . . ?
O10 C27 C50 110.1(5) . . ?
N5 C28 C17 114.6(4) . . ?
N14A C29 C15 114.4(5) . . ?
O10 C30 C9 109.2(5) . . ?
O9 C31 C34 110.2(5) . . ?
O15 C32 C33 108.9(5) . . ?
O6 C33 C32 110.5(5) . . ?
N2 C34 C31 114.0(5) . . ?
O12 C35 C45 109.3(5) . . ?
N15A C36 C47 112.8(5) . . ?
O17 C37 C8 108.5(5) . . ?
N4 C38 C16 113.7(5) . . ?
O14 C40 C39 110.4(5) . . ?
C57 C41 N2 117.4(6) . . ?
N2 C42 C52 113.8(5) . . ?
O12 C43 C53 108.8(5) . . ?
N15A C44 C26 112.8(5) . . ?
N14A C45 C35 112.8(5) . . ?
N1 C46 K2 58.0(3) . . ?
N1 C46 C54 112.5(6) . . ?
C54 C46 K2 91.9(4) . . ?
O8 C47 C36 108.9(5) . . ?
N15A C48 C20 113.9(5) . . ?
O15 C49 C56 110.8(5) . . ?
N4 C50 C27 114.7(5) . . ?
N88 C51 K2 58.7(3) . . ?
C55 C51 K2 92.8(4) . . ?
C55 C51 N88 111.7(5) . . ?
O5 C52 C42 108.0(5) . . ?
O13 C53 C43 110.5(5) . . ?
N3 C54 K1 60.0(3) . . ?
C46 C54 K1 90.0(4) . . ?
C46 C54 N3 113.1(5) . . ?
N55 C55 K1 54.7(3) . . ?
N55 C55 C51 111.9(6) . . ?
C51 C55 K1 95.7(4) . . ?
N4 C56 C49 114.5(5) . . ?
C61 C58 O17 115.5(8) . . ?
C60 C59 N11 101.6(9) . . ?
C59 C60 N65 109.0(8) . . ?
O18 C61 C58 123.3(9) . . ?
C62 N7 K3 123.1(8) . . ?
N64 C2AA C63 119.7(8) . . ?
N64 C2AA K3 53.0(5) . 3_666 ?
C63 C2AA K3 116.2(6) . 3_666 ?
C2AA C63 N8 128.2(9) . . ?
C63 N8 K3 117.5(7) . . ?
O7 C0AA C14 110.8(5) . . ?
O18 C57 K5 51.6(4) . . ?
O18 C57 C41 120.4(7) . . ?
C41 C57 K5 91.3(4) . . ?
N14A C39 C40 112.8(5) . . ?
C60 N65 K3 126.8(5) . . ?
Sn5 K3 Sn7 64.903(19) . . ?
Sn6 K3 Sn5 45.964(16) . . ?
Sn6 K3 Sn7 45.517(16) . . ?
Sn12 K3 Sn5 51.589(17) . . ?
Sn12 K3 Sn6 93.99(3) . . ?
Sn12 K3 Sn7 82.98(2) . . ?
Sn12 K3 Sn13 47.317(16) . . ?
Sn13 K3 Sn5 80.21(2) . . ?
Sn13 K3 Sn6 97.63(3) . . ?
Sn13 K3 Sn7 58.158(19) . . ?
N64 K3 Sn5 85.7(2) 3_666 . ?
N64 K3 Sn6 101.00(19) 3_666 . ?
N64 K3 Sn7 145.4(2) 3_666 . ?
N64 K3 Sn12 93.0(2) 3_666 . ?
N64 K3 Sn13 137.2(2) 3_666 . ?
N64 K3 N7 100.3(3) 3_666 . ?
N64 K3 C2AA 20.9(2) 3_666 3_666 ?
N64 K3 N8 66.9(3) 3_666 . ?
N64 K3 N65 135.7(3) 3_666 . ?
N64 K3 C62A 74.1(3) 3_666 . ?
N7 K3 Sn5 110.21(17) . . ?
N7 K3 Sn6 64.95(17) . . ?
N7 K3 Sn7 75.24(15) . . ?
N7 K3 Sn12 156.78(16) . . ?
N7 K3 Sn13 122.48(16) . . ?
C2AA K3 Sn5 73.81(10) 3_666 . ?
C2AA K3 Sn6 103.01(11) 3_666 . ?
C2AA K3 Sn7 138.69(11) 3_666 . ?
C2AA K3 Sn12 72.08(10) 3_666 . ?
C2AA K3 Sn13 116.90(11) 3_666 . ?
N8 K3 Sn5 128.5(2) . . ?
N8 K3 Sn6 95.8(2) . . ?
N8 K3 Sn7 116.9(2) . . ?
N8 K3 Sn12 159.0(2) . . ?
N8 K3 Sn13 148.2(2) . . ?
N8 K3 C2AA 87.6(3) . 3_666 ?
N8 K3 N65 77.3(3) . . ?
N65 K3 Sn5 138.31(18) . . ?
N65 K3 Sn6 108.1(2) . . ?
N65 K3 Sn7 74.28(19) . . ?
N65 K3 Sn12 116.95(13) . . ?
N65 K3 Sn13 71.16(13) . . ?
N65 K3 N7 64.9(2) . . ?
N65 K3 C2AA 146.5(2) . 3_666 ?
N65 K3 C62A 84.3(3) . . ?
C62A K3 Sn5 108.2(2) . . ?
C62A K3 Sn6 71.3(2) . . ?
C62A K3 Sn7 97.2(2) . . ?
C62A K3 Sn12 157.6(3) . . ?
C62A K3 Sn13 148.7(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
