# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_p21n_a_sq
_database_code_depnum_ccdc_archive 'CCDC 2058186'
loop_
_audit_author_name
_audit_author_address
'Gengwen Tan'
;Soochow University
China
;
_audit_update_record             
;
2021-03-08 deposited with the CCDC.	2021-03-16 downloaded from the CCDC.
;

_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            'C52 H104 Cl3 Ge K2 N4 O13 Si2 Y'
_chemical_formula_weight         1395.62

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.7860(3)
_cell_length_b                   19.1015(5)
_cell_length_c                   29.4531(8)
_cell_angle_alpha                90
_cell_angle_beta                 96.0620(10)
_cell_angle_gamma                90
_cell_volume                     7153.2(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    3402
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      25.81

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_F_000             2944
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    1.543
_shelx_estimated_absorpt_T_min   0.728
_shelx_estimated_absorpt_T_max   0.861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.728
_exptl_absorpt_correction_T_max  0.861
_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       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            80574
_diffrn_reflns_av_unetI/netI     0.0592
_diffrn_reflns_av_R_equivalents  0.0825
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.988
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             14053
_reflns_number_gt                10772
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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)+(0.0373P)²+1.0724P] 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         14053
_refine_ls_number_parameters     711
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0381
_refine_ls_wR_factor_ref         0.0905
_refine_ls_wR_factor_gt          0.0840
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.004
_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
C1 C 0.14623(19) 0.26896(12) 0.93157(9) 0.0177(6) Uani 1 1 d . . . . .
C2 C 0.1121(2) 0.32501(13) 0.95905(9) 0.0187(6) Uani 1 1 d . . . . .
C3 C 0.0029(2) 0.32668(12) 0.96334(9) 0.0189(6) Uani 1 1 d . . . . .
C4 C -0.0573(2) 0.27163(13) 0.94011(9) 0.0196(6) Uani 1 1 d . . . . .
C5 C 0.1890(2) 0.37789(14) 0.98282(10) 0.0257(6) Uani 1 1 d . . . . .
H5A H 0.1515 0.4213 0.9883 0.039 Uiso 1 1 calc R U . . .
H5B H 0.2449 0.3877 0.9634 0.039 Uiso 1 1 calc R U . . .
H5C H 0.2198 0.3586 1.0120 0.039 Uiso 1 1 calc R U . . .
C6 C -0.0481(2) 0.38455(14) 0.98914(10) 0.0268(7) Uani 1 1 d . . . . .
H6A H 0.0057 0.4081 1.0099 0.040 Uiso 1 1 calc R U . . .
H6B H -0.1013 0.3641 1.0068 0.040 Uiso 1 1 calc R U . . .
H6C H -0.0815 0.4186 0.9673 0.040 Uiso 1 1 calc R U . . .
C7 C 0.3634(2) 0.31668(16) 0.89953(12) 0.0369(8) Uani 1 1 d . . . . .
H7A H 0.3267 0.3357 0.8713 0.055 Uiso 1 1 calc R U . . .
H7B H 0.4313 0.2973 0.8932 0.055 Uiso 1 1 calc R U . . .
H7C H 0.3749 0.3541 0.9223 0.055 Uiso 1 1 calc R U . . .
C8 C 0.2801(2) 0.17299(15) 0.87939(12) 0.0383(8) Uani 1 1 d . . . . .
H8A H 0.2404 0.1333 0.8898 0.057 Uiso 1 1 calc R U . . .
H8B H 0.3524 0.1583 0.8762 0.057 Uiso 1 1 calc R U . . .
H8C H 0.2467 0.1893 0.8498 0.057 Uiso 1 1 calc R U . . .
C9 C 0.3579(3) 0.21497(19) 0.97641(12) 0.0513(10) Uani 1 1 d . . . . .
H9A H 0.3622 0.2528 0.9990 0.077 Uiso 1 1 calc R U . . .
H9B H 0.4290 0.2014 0.9703 0.077 Uiso 1 1 calc R U . . .
H9C H 0.3223 0.1746 0.9883 0.077 Uiso 1 1 calc R U . . .
C10 C -0.2449(2) 0.18907(17) 0.89496(13) 0.0450(9) Uani 1 1 d . . . . .
H10A H -0.2497 0.2149 0.8661 0.067 Uiso 1 1 calc R U . . .
H10B H -0.3145 0.1711 0.9000 0.067 Uiso 1 1 calc R U . . .
H10C H -0.1959 0.1498 0.8937 0.067 Uiso 1 1 calc R U . . .
C11 C -0.2930(2) 0.32301(15) 0.94081(11) 0.0339(7) Uani 1 1 d . . . . .
H11A H -0.2776 0.3528 0.9678 0.051 Uiso 1 1 calc R U . . .
H11B H -0.3644 0.3041 0.9403 0.051 Uiso 1 1 calc R U . . .
H11C H -0.2877 0.3508 0.9132 0.051 Uiso 1 1 calc R U . . .
C12 C -0.2100(2) 0.19929(15) 0.99714(12) 0.0373(8) Uani 1 1 d . . . . .
H12A H -0.1696 0.1557 0.9972 0.056 Uiso 1 1 calc R U . . .
H12B H -0.2843 0.1884 0.9990 0.056 Uiso 1 1 calc R U . . .
H12C H -0.1833 0.2279 1.0235 0.056 Uiso 1 1 calc R U . . .
C13 C 0.5160(2) 0.50606(13) 0.57513(11) 0.0274(7) Uani 1 1 d . . . . .
H13A H 0.5440 0.5278 0.5484 0.033 Uiso 1 1 calc R U . . .
H13B H 0.5284 0.5392 0.6010 0.033 Uiso 1 1 calc R U . . .
C14 C 0.3997(2) 0.49567(14) 0.56440(10) 0.0268(7) Uani 1 1 d . . . . .
H14A H 0.3657 0.5409 0.5555 0.032 Uiso 1 1 calc R U . . .
H14B H 0.3859 0.4628 0.5385 0.032 Uiso 1 1 calc R U . . .
C15 C 0.2462(2) 0.45851(15) 0.59434(10) 0.0273(7) Uani 1 1 d . . . . .
H15A H 0.2313 0.4210 0.5714 0.033 Uiso 1 1 calc R U . . .
H15B H 0.2128 0.5022 0.5819 0.033 Uiso 1 1 calc R U . . .
C16 C 0.2023(2) 0.43899(13) 0.63765(10) 0.0262(7) Uani 1 1 d . . . . .
H16A H 0.2222 0.4747 0.6614 0.031 Uiso 1 1 calc R U . . .
H16B H 0.1245 0.4371 0.6325 0.031 Uiso 1 1 calc R U . . .
C17 C 0.1962(2) 0.34957(13) 0.69209(10) 0.0231(6) Uani 1 1 d . . . . .
H17A H 0.1186 0.3511 0.6861 0.028 Uiso 1 1 calc R U . . .
H17B H 0.2179 0.3810 0.7181 0.028 Uiso 1 1 calc R U . . .
C18 C 0.2318(2) 0.27600(13) 0.70348(10) 0.0243(6) Uani 1 1 d . . . . .
H18A H 0.1937 0.2584 0.7287 0.029 Uiso 1 1 calc R U . . .
H18B H 0.2129 0.2458 0.6766 0.029 Uiso 1 1 calc R U . . .
C19 C 0.3794(2) 0.19733(13) 0.71396(10) 0.0263(7) Uani 1 1 d . . . . .
H19A H 0.3294 0.1672 0.7285 0.032 Uiso 1 1 calc R U . . .
H19B H 0.4492 0.1921 0.7316 0.032 Uiso 1 1 calc R U . . .
C20 C 0.3864(2) 0.17157(14) 0.66613(10) 0.0280(7) Uani 1 1 d . . . . .
H20A H 0.3992 0.1205 0.6664 0.034 Uiso 1 1 calc R U . . .
H20B H 0.3195 0.1809 0.6470 0.034 Uiso 1 1 calc R U . . .
C21 C 0.4831(2) 0.18164(14) 0.60309(10) 0.0307(7) Uani 1 1 d . . . . .
H21A H 0.4179 0.1902 0.5826 0.037 Uiso 1 1 calc R U . . .
H21B H 0.4962 0.1306 0.6043 0.037 Uiso 1 1 calc R U . . .
C22 C 0.5727(2) 0.21779(13) 0.58509(10) 0.0277(7) Uani 1 1 d . . . . .
H22A H 0.6373 0.2115 0.6064 0.033 Uiso 1 1 calc R U . . .
H22B H 0.5852 0.1976 0.5552 0.033 Uiso 1 1 calc R U . . .
C23 C 0.6201(2) 0.32554(14) 0.55350(10) 0.0292(7) Uani 1 1 d . . . . .
H23A H 0.6220 0.3012 0.5239 0.035 Uiso 1 1 calc R U . . .
H23B H 0.6918 0.3249 0.5699 0.035 Uiso 1 1 calc R U . . .
C24 C 0.5840(2) 0.39996(14) 0.54551(10) 0.0282(7) Uani 1 1 d . . . . .
H24A H 0.6340 0.4239 0.5272 0.034 Uiso 1 1 calc R U . . .
H24B H 0.5146 0.3994 0.5271 0.034 Uiso 1 1 calc R U . . .
C25 C 0.6799(2) 0.45809(15) 0.60991(10) 0.0301(7) Uani 1 1 d . . . . .
H25A H 0.7125 0.4942 0.5918 0.036 Uiso 1 1 calc R U . . .
H25B H 0.7246 0.4157 0.6104 0.036 Uiso 1 1 calc R U . . .
C26 C 0.6787(2) 0.48434(15) 0.65800(10) 0.0310(7) Uani 1 1 d . . . . .
H26A H 0.7503 0.4992 0.6703 0.037 Uiso 1 1 calc R U . . .
H26B H 0.6315 0.5254 0.6582 0.037 Uiso 1 1 calc R U . . .
C27 C 0.6430(2) 0.45323(15) 0.73192(10) 0.0311(7) Uani 1 1 d . . . . .
H27A H 0.5915 0.4917 0.7334 0.037 Uiso 1 1 calc R U . . .
H27B H 0.7135 0.4714 0.7432 0.037 Uiso 1 1 calc R U . . .
C28 C 0.6151(2) 0.39431(15) 0.76138(10) 0.0287(7) Uani 1 1 d . . . . .
H28A H 0.6652 0.3552 0.7592 0.034 Uiso 1 1 calc R U . . .
H28B H 0.6204 0.4099 0.7936 0.034 Uiso 1 1 calc R U . . .
C29 C 0.4841(2) 0.31459(15) 0.77573(10) 0.0267(6) Uani 1 1 d . . . . .
H29A H 0.4967 0.3285 0.8082 0.032 Uiso 1 1 calc R U . . .
H29B H 0.5287 0.2734 0.7709 0.032 Uiso 1 1 calc R U . . .
C30 C 0.3706(2) 0.29605(14) 0.76412(9) 0.0255(6) Uani 1 1 d . . . . .
H30A H 0.3512 0.2595 0.7856 0.031 Uiso 1 1 calc R U . . .
H30B H 0.3272 0.3379 0.7685 0.031 Uiso 1 1 calc R U . . .
C31 C 1.0765(2) 0.10054(14) 0.54725(10) 0.0316(7) Uani 1 1 d . . . . .
H31A H 1.0088 0.1011 0.5276 0.038 Uiso 1 1 calc R U . . .
H31B H 1.1301 0.0802 0.5292 0.038 Uiso 1 1 calc R U . . .
C32 C 1.1073(2) 0.17480(15) 0.55939(11) 0.0316(7) Uani 1 1 d . . . . .
H32A H 1.1739 0.1755 0.5798 0.038 Uiso 1 1 calc R U . . .
H32B H 1.1178 0.2015 0.5314 0.038 Uiso 1 1 calc R U . . .
C33 C 1.0376(2) 0.27933(13) 0.58576(10) 0.0252(6) Uani 1 1 d . . . . .
H33A H 1.0397 0.3006 0.5552 0.030 Uiso 1 1 calc R U . . .
H33B H 1.1042 0.2905 0.6046 0.030 Uiso 1 1 calc R U . . .
C34 C 0.9463(2) 0.30733(14) 0.60777(10) 0.0262(6) Uani 1 1 d . . . . .
H34A H 0.9500 0.3591 0.6092 0.031 Uiso 1 1 calc R U . . .
H34B H 0.8797 0.2940 0.5895 0.031 Uiso 1 1 calc R U . . .
C35 C 0.8672(2) 0.30971(13) 0.67647(10) 0.0251(6) Uani 1 1 d . . . . .
H35A H 0.7973 0.2962 0.6613 0.030 Uiso 1 1 calc R U . . .
H35B H 0.8726 0.3614 0.6760 0.030 Uiso 1 1 calc R U . . .
C36 C 0.8790(2) 0.28418(13) 0.72479(10) 0.0252(6) Uani 1 1 d . . . . .
H36A H 0.9529 0.2907 0.7378 0.030 Uiso 1 1 calc R U . . .
H36B H 0.8341 0.3130 0.7429 0.030 Uiso 1 1 calc R U . . .
C37 C 0.7351(2) 0.20168(14) 0.72206(10) 0.0263(6) Uani 1 1 d . . . . .
H37A H 0.7065 0.2348 0.6980 0.032 Uiso 1 1 calc R U . . .
H37B H 0.7052 0.2144 0.7506 0.032 Uiso 1 1 calc R U . . .
C38 C 0.7003(2) 0.12875(14) 0.70840(10) 0.0251(6) Uani 1 1 d . . . . .
H38A H 0.7287 0.0950 0.7320 0.030 Uiso 1 1 calc R U . . .
H38B H 0.6226 0.1259 0.7055 0.030 Uiso 1 1 calc R U . . .
C39 C 0.7044(2) 0.04348(13) 0.65161(10) 0.0254(6) Uani 1 1 d . . . . .
H39A H 0.6271 0.0396 0.6510 0.030 Uiso 1 1 calc R U . . .
H39B H 0.7371 0.0083 0.6734 0.030 Uiso 1 1 calc R U . . .
C40 C 0.7359(2) 0.02975(14) 0.60533(10) 0.0270(7) Uani 1 1 d . . . . .
H40A H 0.7060 -0.0154 0.5937 0.032 Uiso 1 1 calc R U . . .
H40B H 0.7087 0.0673 0.5841 0.032 Uiso 1 1 calc R U . . .
C41 C 0.8835(2) 0.01164(14) 0.56493(10) 0.0285(7) Uani 1 1 d . . . . .
H41A H 0.8715 0.0522 0.5441 0.034 Uiso 1 1 calc R U . . .
H41B H 0.8439 -0.0289 0.5509 0.034 Uiso 1 1 calc R U . . .
C42 C 0.9993(2) -0.00533(14) 0.57218(10) 0.0275(7) Uani 1 1 d . . . . .
H42A H 1.0108 -0.0424 0.5957 0.033 Uiso 1 1 calc R U . . .
H42B H 1.0215 -0.0241 0.5434 0.033 Uiso 1 1 calc R U . . .
C43 C 1.1703(2) 0.03181(16) 0.60626(10) 0.0321(7) Uani 1 1 d . . . . .
H43A H 1.2189 0.0723 0.6079 0.039 Uiso 1 1 calc R U . . .
H43B H 1.1969 -0.0032 0.5855 0.039 Uiso 1 1 calc R U . . .
C44 C 1.1723(2) 0.00012(15) 0.65297(11) 0.0345(8) Uani 1 1 d . . . . .
H44A H 1.1209 -0.0387 0.6523 0.041 Uiso 1 1 calc R U . . .
H44B H 1.2431 -0.0191 0.6626 0.041 Uiso 1 1 calc R U . . .
C45 C 1.1462(2) 0.02320(14) 0.72924(10) 0.0289(7) Uani 1 1 d . . . . .
H45A H 1.2149 0.0007 0.7386 0.035 Uiso 1 1 calc R U . . .
H45B H 1.0907 -0.0130 0.7289 0.035 Uiso 1 1 calc R U . . .
C46 C 1.1261(2) 0.07972(14) 0.76250(10) 0.0261(6) Uani 1 1 d . . . . .
H46A H 1.1318 0.0603 0.7938 0.031 Uiso 1 1 calc R U . . .
H46B H 1.1792 0.1173 0.7616 0.031 Uiso 1 1 calc R U . . .
C47 C 1.0045(2) 0.16511(14) 0.78024(10) 0.0249(6) Uani 1 1 d . . . . .
H47A H 1.0459 0.2063 0.7724 0.030 Uiso 1 1 calc R U . . .
H47B H 1.0267 0.1523 0.8124 0.030 Uiso 1 1 calc R U . . .
C48 C 0.8894(2) 0.18268(14) 0.77463(9) 0.0256(6) Uani 1 1 d . . . . .
H48A H 0.8490 0.1401 0.7809 0.031 Uiso 1 1 calc R U . . .
H48B H 0.8757 0.2182 0.7977 0.031 Uiso 1 1 calc R U . . .
C49 C 0.9634(2) 0.54764(14) 0.65331(11) 0.0349(8) Uani 1 1 d . . . . .
H49A H 0.8993 0.5611 0.6334 0.042 Uiso 1 1 calc R U . . .
H49B H 1.0249 0.5522 0.6357 0.042 Uiso 1 1 calc R U . . .
C50 C 0.9769(3) 0.59344(16) 0.69530(12) 0.0443(9) Uani 1 1 d . . . . .
H50A H 0.9081 0.6097 0.7039 0.053 Uiso 1 1 calc R U . . .
H50B H 1.0216 0.6346 0.6906 0.053 Uiso 1 1 calc R U . . .
C51 C 1.0306(3) 0.54414(16) 0.73118(12) 0.0434(9) Uani 1 1 d . . . . .
H51A H 1.1071 0.5408 0.7288 0.052 Uiso 1 1 calc R U . . .
H51B H 1.0189 0.5590 0.7625 0.052 Uiso 1 1 calc R U . . .
C52 C 0.9754(2) 0.47628(15) 0.71843(11) 0.0366(8) Uani 1 1 d . . . . .
H52A H 1.0206 0.4360 0.7286 0.044 Uiso 1 1 calc R U . . .
H52B H 0.9089 0.4729 0.7327 0.044 Uiso 1 1 calc R U . . .
Cl05 Cl -0.16417(5) 0.36412(3) 0.83541(2) 0.02602(16) Uani 1 1 d . . . . .
Cl06 Cl 0.12500(5) 0.34333(4) 0.80713(2) 0.02734(16) Uani 1 1 d . . . . .
Cl07 Cl 0.05940(5) 0.48147(3) 0.89554(3) 0.02734(16) Uani 1 1 d . . . . .
Ge1 Ge 0.03219(2) 0.20393(2) 0.91300(2) 0.02014(8) Uani 1 1 d . . . . .
K1 K 0.46107(4) 0.35554(3) 0.65160(2) 0.01941(13) Uani 1 1 d . . . . .
K2 K 0.95763(4) 0.13213(3) 0.65816(2) 0.01989(13) Uani 1 1 d . . . . .
N1 N 0.57513(17) 0.44098(11) 0.58691(8) 0.0228(5) Uani 1 1 d . . . . .
N2 N 0.34557(16) 0.27038(11) 0.71694(8) 0.0217(5) Uani 1 1 d . . . . .
N3 N 1.06591(17) 0.05531(11) 0.58660(8) 0.0247(5) Uani 1 1 d . . . . .
N4 N 0.85012(17) 0.20945(10) 0.72913(8) 0.0205(5) Uani 1 1 d . . . . .
O1 O 0.35706(14) 0.46831(9) 0.60355(7) 0.0245(4) Uani 1 1 d . . . . .
O2 O 0.24240(13) 0.37231(9) 0.65265(6) 0.0229(4) Uani 1 1 d . . . . .
O3 O 0.54867(14) 0.29087(9) 0.58004(6) 0.0250(4) Uani 1 1 d . . . . .
O4 O 0.47065(14) 0.20706(9) 0.64784(6) 0.0243(4) Uani 1 1 d . . . . .
O5 O 0.64293(14) 0.43030(9) 0.68590(7) 0.0255(4) Uani 1 1 d . . . . .
O6 O 0.51064(13) 0.37073(9) 0.74751(6) 0.0234(4) Uani 1 1 d . . . . .
O7 O 1.02503(14) 0.20551(9) 0.58169(7) 0.0263(4) Uani 1 1 d . . . . .
O8 O 0.94836(14) 0.27949(9) 0.65261(6) 0.0222(4) Uani 1 1 d . . . . .
O9 O 0.84817(14) 0.02746(9) 0.60792(6) 0.0254(4) Uani 1 1 d . . . . .
O10 O 0.73749(14) 0.11203(9) 0.66610(6) 0.0230(4) Uani 1 1 d . . . . .
O11 O 1.14664(14) 0.05260(9) 0.68484(7) 0.0257(4) Uani 1 1 d . . . . .
O12 O 1.02337(13) 0.10768(9) 0.75086(6) 0.0222(4) Uani 1 1 d . . . . .
O13 O 0.95461(16) 0.47719(10) 0.66938(8) 0.0358(5) Uani 1 1 d . . . . .
Si1 Si 0.28166(6) 0.24579(4) 0.92205(3) 0.02386(18) Uani 1 1 d . . . . .
Si2 Si -0.19614(6) 0.24894(4) 0.94304(3) 0.02513(18) Uani 1 1 d . . . . .
Y1 Y 0.02116(2) 0.35129(2) 0.87735(2) 0.01601(7) 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
C1 C2 1.437(3) . ?
C1 Si1 1.837(3) . ?
C1 Ge1 1.949(3) . ?
C1 Y1 2.654(2) . ?
C2 C3 1.416(4) . ?
C2 C5 1.527(4) . ?
C2 Y1 2.608(3) . ?
C3 C4 1.434(4) . ?
C3 C6 1.527(3) . ?
C3 Y1 2.610(3) . ?
C4 Si2 1.838(3) . ?
C4 Ge1 1.953(2) . ?
C4 Y1 2.670(2) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 Si1 1.874(3) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 Si1 1.873(3) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 Si1 1.879(3) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 Si2 1.875(3) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 Si2 1.877(3) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 Si2 1.878(3) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 N1 1.477(3) . ?
C13 C14 1.501(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 O1 1.426(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 O1 1.427(3) . ?
C15 C16 1.494(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 O2 1.426(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 O2 1.425(3) . ?
C17 C18 1.504(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 N2 1.470(3) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 N2 1.466(3) . ?
C19 C20 1.504(4) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 O4 1.426(3) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 O4 1.429(3) . ?
C21 C22 1.483(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 O3 1.434(3) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 O3 1.426(3) . ?
C23 C24 1.505(4) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 N1 1.464(3) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 N1 1.473(3) . ?
C25 C26 1.504(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 O5 1.425(3) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 O5 1.424(3) . ?
C27 C28 1.487(4) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 O6 1.428(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 O6 1.420(3) . ?
C29 C30 1.497(4) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 N2 1.477(3) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 N3 1.464(3) . ?
C31 C32 1.505(4) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 O7 1.424(3) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 O7 1.423(3) . ?
C33 C34 1.493(4) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 O8 1.421(3) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 O8 1.434(3) . ?
C35 C36 1.497(4) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 N4 1.483(3) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 N4 1.471(3) . ?
C37 C38 1.504(4) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 O10 1.416(3) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 O10 1.427(3) . ?
C39 C40 1.485(4) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 O9 1.430(3) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 O9 1.421(3) . ?
C41 C42 1.509(4) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 N3 1.473(3) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 N3 1.468(4) . ?
C43 C44 1.501(4) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 O11 1.435(3) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 O11 1.424(3) . ?
C45 C46 1.498(4) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 O12 1.426(3) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 O12 1.433(3) . ?
C47 C48 1.502(4) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 N4 1.472(3) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 O13 1.435(3) . ?
C49 C50 1.510(4) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.524(5) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.504(4) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 O13 1.441(4) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
Cl05 Y1 2.5657(7) . ?
Cl06 Y1 2.5776(7) . ?
Cl07 Y1 2.5796(7) . ?
Ge1 Y1 3.0024(4) . ?
K1 O3 2.7788(18) . ?
K1 O2 2.8177(18) . ?
K1 O5 2.8231(19) . ?
K1 O1 2.8309(18) . ?
K1 O4 2.8415(17) . ?
K1 O6 2.844(2) . ?
K1 N1 3.001(2) . ?
K1 N2 3.022(2) . ?
K2 O9 2.7763(18) . ?
K2 O12 2.8098(19) . ?
K2 O8 2.8213(18) . ?
K2 O7 2.8618(19) . ?
K2 O10 2.8747(18) . ?
K2 O11 2.8922(19) . ?
K2 N4 3.008(2) . ?
K2 N3 3.021(2) . ?

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
C2 C1 Si1 127.7(2) . . ?
C2 C1 Ge1 111.73(17) . . ?
Si1 C1 Ge1 119.53(13) . . ?
C2 C1 Y1 72.42(14) . . ?
Si1 C1 Y1 124.66(12) . . ?
Ge1 C1 Y1 79.83(9) . . ?
C3 C2 C1 115.3(2) . . ?
C3 C2 C5 122.5(2) . . ?
C1 C2 C5 122.2(2) . . ?
C3 C2 Y1 74.34(15) . . ?
C1 C2 Y1 75.89(15) . . ?
C5 C2 Y1 119.90(17) . . ?
C2 C3 C4 115.2(2) . . ?
C2 C3 C6 122.6(2) . . ?
C4 C3 C6 122.1(2) . . ?
C2 C3 Y1 74.18(15) . . ?
C4 C3 Y1 76.57(15) . . ?
C6 C3 Y1 116.06(17) . . ?
C3 C4 Si2 128.56(19) . . ?
C3 C4 Ge1 111.85(18) . . ?
Si2 C4 Ge1 118.28(13) . . ?
C3 C4 Y1 71.95(14) . . ?
Si2 C4 Y1 127.04(13) . . ?
Ge1 C4 Y1 79.34(8) . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si1 C8 H8A 109.5 . . ?
Si1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si1 C9 H9A 109.5 . . ?
Si1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N1 C13 C14 114.1(2) . . ?
N1 C13 H13A 108.7 . . ?
C14 C13 H13A 108.7 . . ?
N1 C13 H13B 108.7 . . ?
C14 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
O1 C14 C13 109.5(2) . . ?
O1 C14 H14A 109.8 . . ?
C13 C14 H14A 109.8 . . ?
O1 C14 H14B 109.8 . . ?
C13 C14 H14B 109.8 . . ?
H14A C14 H14B 108.2 . . ?
O1 C15 C16 109.0(2) . . ?
O1 C15 H15A 109.9 . . ?
C16 C15 H15A 109.9 . . ?
O1 C15 H15B 109.9 . . ?
C16 C15 H15B 109.9 . . ?
H15A C15 H15B 108.3 . . ?
O2 C16 C15 109.4(2) . . ?
O2 C16 H16A 109.8 . . ?
C15 C16 H16A 109.8 . . ?
O2 C16 H16B 109.8 . . ?
C15 C16 H16B 109.8 . . ?
H16A C16 H16B 108.2 . . ?
O2 C17 C18 109.0(2) . . ?
O2 C17 H17A 109.9 . . ?
C18 C17 H17A 109.9 . . ?
O2 C17 H17B 109.9 . . ?
C18 C17 H17B 109.9 . . ?
H17A C17 H17B 108.3 . . ?
N2 C18 C17 113.3(2) . . ?
N2 C18 H18A 108.9 . . ?
C17 C18 H18A 108.9 . . ?
N2 C18 H18B 108.9 . . ?
C17 C18 H18B 108.9 . . ?
H18A C18 H18B 107.7 . . ?
N2 C19 C20 114.5(2) . . ?
N2 C19 H19A 108.6 . . ?
C20 C19 H19A 108.6 . . ?
N2 C19 H19B 108.6 . . ?
C20 C19 H19B 108.6 . . ?
H19A C19 H19B 107.6 . . ?
O4 C20 C19 108.7(2) . . ?
O4 C20 H20A 109.9 . . ?
C19 C20 H20A 109.9 . . ?
O4 C20 H20B 109.9 . . ?
C19 C20 H20B 109.9 . . ?
H20A C20 H20B 108.3 . . ?
O4 C21 C22 109.7(2) . . ?
O4 C21 H21A 109.7 . . ?
C22 C21 H21A 109.7 . . ?
O4 C21 H21B 109.7 . . ?
C22 C21 H21B 109.7 . . ?
H21A C21 H21B 108.2 . . ?
O3 C22 C21 109.0(2) . . ?
O3 C22 H22A 109.9 . . ?
C21 C22 H22A 109.9 . . ?
O3 C22 H22B 109.9 . . ?
C21 C22 H22B 109.9 . . ?
H22A C22 H22B 108.3 . . ?
O3 C23 C24 108.7(2) . . ?
O3 C23 H23A 109.9 . . ?
C24 C23 H23A 109.9 . . ?
O3 C23 H23B 109.9 . . ?
C24 C23 H23B 109.9 . . ?
H23A C23 H23B 108.3 . . ?
N1 C24 C23 115.1(2) . . ?
N1 C24 H24A 108.5 . . ?
C23 C24 H24A 108.5 . . ?
N1 C24 H24B 108.5 . . ?
C23 C24 H24B 108.5 . . ?
H24A C24 H24B 107.5 . . ?
N1 C25 C26 114.0(2) . . ?
N1 C25 H25A 108.7 . . ?
C26 C25 H25A 108.7 . . ?
N1 C25 H25B 108.7 . . ?
C26 C25 H25B 108.7 . . ?
H25A C25 H25B 107.6 . . ?
O5 C26 C25 109.7(2) . . ?
O5 C26 H26A 109.7 . . ?
C25 C26 H26A 109.7 . . ?
O5 C26 H26B 109.7 . . ?
C25 C26 H26B 109.7 . . ?
H26A C26 H26B 108.2 . . ?
O5 C27 C28 110.3(2) . . ?
O5 C27 H27A 109.6 . . ?
C28 C27 H27A 109.6 . . ?
O5 C27 H27B 109.6 . . ?
C28 C27 H27B 109.6 . . ?
H27A C27 H27B 108.1 . . ?
O6 C28 C27 110.3(2) . . ?
O6 C28 H28A 109.6 . . ?
C27 C28 H28A 109.6 . . ?
O6 C28 H28B 109.6 . . ?
C27 C28 H28B 109.6 . . ?
H28A C28 H28B 108.1 . . ?
O6 C29 C30 109.3(2) . . ?
O6 C29 H29A 109.8 . . ?
C30 C29 H29A 109.8 . . ?
O6 C29 H29B 109.8 . . ?
C30 C29 H29B 109.8 . . ?
H29A C29 H29B 108.3 . . ?
N2 C30 C29 113.7(2) . . ?
N2 C30 H30A 108.8 . . ?
C29 C30 H30A 108.8 . . ?
N2 C30 H30B 108.8 . . ?
C29 C30 H30B 108.8 . . ?
H30A C30 H30B 107.7 . . ?
N3 C31 C32 114.3(2) . . ?
N3 C31 H31A 108.7 . . ?
C32 C31 H31A 108.7 . . ?
N3 C31 H31B 108.7 . . ?
C32 C31 H31B 108.7 . . ?
H31A C31 H31B 107.6 . . ?
O7 C32 C31 108.1(2) . . ?
O7 C32 H32A 110.1 . . ?
C31 C32 H32A 110.1 . . ?
O7 C32 H32B 110.1 . . ?
C31 C32 H32B 110.1 . . ?
H32A C32 H32B 108.4 . . ?
O7 C33 C34 107.8(2) . . ?
O7 C33 H33A 110.2 . . ?
C34 C33 H33A 110.2 . . ?
O7 C33 H33B 110.2 . . ?
C34 C33 H33B 110.2 . . ?
H33A C33 H33B 108.5 . . ?
O8 C34 C33 109.3(2) . . ?
O8 C34 H34A 109.8 . . ?
C33 C34 H34A 109.8 . . ?
O8 C34 H34B 109.8 . . ?
C33 C34 H34B 109.8 . . ?
H34A C34 H34B 108.3 . . ?
O8 C35 C36 109.2(2) . . ?
O8 C35 H35A 109.8 . . ?
C36 C35 H35A 109.8 . . ?
O8 C35 H35B 109.8 . . ?
C36 C35 H35B 109.8 . . ?
H35A C35 H35B 108.3 . . ?
N4 C36 C35 113.2(2) . . ?
N4 C36 H36A 108.9 . . ?
C35 C36 H36A 108.9 . . ?
N4 C36 H36B 108.9 . . ?
C35 C36 H36B 108.9 . . ?
H36A C36 H36B 107.7 . . ?
N4 C37 C38 113.2(2) . . ?
N4 C37 H37A 108.9 . . ?
C38 C37 H37A 108.9 . . ?
N4 C37 H37B 108.9 . . ?
C38 C37 H37B 108.9 . . ?
H37A C37 H37B 107.7 . . ?
O10 C38 C37 109.1(2) . . ?
O10 C38 H38A 109.9 . . ?
C37 C38 H38A 109.9 . . ?
O10 C38 H38B 109.9 . . ?
C37 C38 H38B 109.9 . . ?
H38A C38 H38B 108.3 . . ?
O10 C39 C40 109.6(2) . . ?
O10 C39 H39A 109.7 . . ?
C40 C39 H39A 109.7 . . ?
O10 C39 H39B 109.7 . . ?
C40 C39 H39B 109.7 . . ?
H39A C39 H39B 108.2 . . ?
O9 C40 C39 108.9(2) . . ?
O9 C40 H40A 109.9 . . ?
C39 C40 H40A 109.9 . . ?
O9 C40 H40B 109.9 . . ?
C39 C40 H40B 109.9 . . ?
H40A C40 H40B 108.3 . . ?
O9 C41 C42 108.6(2) . . ?
O9 C41 H41A 110.0 . . ?
C42 C41 H41A 110.0 . . ?
O9 C41 H41B 110.0 . . ?
C42 C41 H41B 110.0 . . ?
H41A C41 H41B 108.4 . . ?
N3 C42 C41 113.6(2) . . ?
N3 C42 H42A 108.8 . . ?
C41 C42 H42A 108.8 . . ?
N3 C42 H42B 108.8 . . ?
C41 C42 H42B 108.8 . . ?
H42A C42 H42B 107.7 . . ?
N3 C43 C44 114.3(2) . . ?
N3 C43 H43A 108.7 . . ?
C44 C43 H43A 108.7 . . ?
N3 C43 H43B 108.7 . . ?
C44 C43 H43B 108.7 . . ?
H43A C43 H43B 107.6 . . ?
O11 C44 C43 109.6(2) . . ?
O11 C44 H44A 109.8 . . ?
C43 C44 H44A 109.8 . . ?
O11 C44 H44B 109.8 . . ?
C43 C44 H44B 109.8 . . ?
H44A C44 H44B 108.2 . . ?
O11 C45 C46 109.5(2) . . ?
O11 C45 H45A 109.8 . . ?
C46 C45 H45A 109.8 . . ?
O11 C45 H45B 109.8 . . ?
C46 C45 H45B 109.8 . . ?
H45A C45 H45B 108.2 . . ?
O12 C46 C45 109.3(2) . . ?
O12 C46 H46A 109.8 . . ?
C45 C46 H46A 109.8 . . ?
O12 C46 H46B 109.8 . . ?
C45 C46 H46B 109.8 . . ?
H46A C46 H46B 108.3 . . ?
O12 C47 C48 109.3(2) . . ?
O12 C47 H47A 109.8 . . ?
C48 C47 H47A 109.8 . . ?
O12 C47 H47B 109.8 . . ?
C48 C47 H47B 109.8 . . ?
H47A C47 H47B 108.3 . . ?
N4 C48 C47 114.4(2) . . ?
N4 C48 H48A 108.7 . . ?
C47 C48 H48A 108.7 . . ?
N4 C48 H48B 108.7 . . ?
C47 C48 H48B 108.7 . . ?
H48A C48 H48B 107.6 . . ?
O13 C49 C50 106.2(3) . . ?
O13 C49 H49A 110.5 . . ?
C50 C49 H49A 110.5 . . ?
O13 C49 H49B 110.5 . . ?
C50 C49 H49B 110.5 . . ?
H49A C49 H49B 108.7 . . ?
C49 C50 C51 102.4(3) . . ?
C49 C50 H50A 111.3 . . ?
C51 C50 H50A 111.3 . . ?
C49 C50 H50B 111.3 . . ?
C51 C50 H50B 111.3 . . ?
H50A C50 H50B 109.2 . . ?
C52 C51 C50 101.2(3) . . ?
C52 C51 H51A 111.5 . . ?
C50 C51 H51A 111.5 . . ?
C52 C51 H51B 111.5 . . ?
C50 C51 H51B 111.5 . . ?
H51A C51 H51B 109.3 . . ?
O13 C52 C51 105.8(2) . . ?
O13 C52 H52A 110.6 . . ?
C51 C52 H52A 110.6 . . ?
O13 C52 H52B 110.6 . . ?
C51 C52 H52B 110.6 . . ?
H52A C52 H52B 108.7 . . ?
C1 Ge1 C4 85.22(10) . . ?
C1 Ge1 Y1 60.45(7) . . ?
C4 Ge1 Y1 60.94(7) . . ?
O3 K1 O2 122.60(6) . . ?
O3 K1 O5 96.52(6) . . ?
O2 K1 O5 136.00(6) . . ?
O3 K1 O1 99.49(6) . . ?
O2 K1 O1 60.31(5) . . ?
O5 K1 O1 96.88(5) . . ?
O3 K1 O4 60.27(5) . . ?
O2 K1 O4 99.25(5) . . ?
O5 K1 O4 118.79(6) . . ?
O1 K1 O4 139.45(6) . . ?
O3 K1 O6 137.17(6) . . ?
O2 K1 O6 95.44(5) . . ?
O5 K1 O6 60.28(5) . . ?
O1 K1 O6 117.56(6) . . ?
O4 K1 O6 97.74(6) . . ?
O3 K1 N1 59.89(6) . . ?
O2 K1 N1 119.63(6) . . ?
O5 K1 N1 60.99(6) . . ?
O1 K1 N1 60.20(5) . . ?
O4 K1 N1 119.48(6) . . ?
O6 K1 N1 120.19(6) . . ?
O3 K1 N2 120.46(6) . . ?
O2 K1 N2 60.13(6) . . ?
O5 K1 N2 118.94(6) . . ?
O1 K1 N2 119.51(6) . . ?
O4 K1 N2 60.89(5) . . ?
O6 K1 N2 59.67(6) . . ?
N1 K1 N2 179.63(6) . . ?
O9 K2 O12 118.71(6) . . ?
O9 K2 O8 132.22(6) . . ?
O12 K2 O8 103.21(5) . . ?
O9 K2 O7 96.32(6) . . ?
O12 K2 O7 139.65(6) . . ?
O8 K2 O7 58.67(5) . . ?
O9 K2 O10 60.29(5) . . ?
O12 K2 O10 95.38(5) . . ?
O8 K2 O10 95.88(5) . . ?
O7 K2 O10 120.55(6) . . ?
O9 K2 O11 97.25(5) . . ?
O12 K2 O11 59.54(5) . . ?
O8 K2 O11 124.65(5) . . ?
O7 K2 O11 99.13(5) . . ?
O10 K2 O11 134.83(5) . . ?
O9 K2 N4 118.83(6) . . ?
O12 K2 N4 61.19(6) . . ?
O8 K2 N4 62.02(5) . . ?
O7 K2 N4 120.27(6) . . ?
O10 K2 N4 59.05(5) . . ?
O11 K2 N4 119.94(6) . . ?
O9 K2 N3 61.37(6) . . ?
O12 K2 N3 119.02(6) . . ?
O8 K2 N3 117.63(6) . . ?
O7 K2 N3 59.38(6) . . ?
O10 K2 N3 121.11(6) . . ?
O11 K2 N3 60.21(6) . . ?
N4 K2 N3 179.65(6) . . ?
C24 N1 C25 110.8(2) . . ?
C24 N1 C13 109.7(2) . . ?
C25 N1 C13 109.8(2) . . ?
C24 N1 K1 108.88(15) . . ?
C25 N1 K1 107.95(16) . . ?
C13 N1 K1 109.64(15) . . ?
C19 N2 C18 110.0(2) . . ?
C19 N2 C30 109.7(2) . . ?
C18 N2 C30 109.9(2) . . ?
C19 N2 K1 107.89(15) . . ?
C18 N2 K1 108.96(15) . . ?
C30 N2 K1 110.40(15) . . ?
C31 N3 C43 109.7(2) . . ?
C31 N3 C42 109.6(2) . . ?
C43 N3 C42 110.3(2) . . ?
C31 N3 K2 110.70(15) . . ?
C43 N3 K2 109.75(16) . . ?
C42 N3 K2 106.83(15) . . ?
C37 N4 C48 109.5(2) . . ?
C37 N4 C36 109.8(2) . . ?
C48 N4 C36 110.4(2) . . ?
C37 N4 K2 112.06(15) . . ?
C48 N4 K2 108.98(14) . . ?
C36 N4 K2 106.04(14) . . ?
C14 O1 C15 110.6(2) . . ?
C14 O1 K1 118.91(14) . . ?
C15 O1 K1 113.58(14) . . ?
C17 O2 C16 110.99(19) . . ?
C17 O2 K1 118.10(15) . . ?
C16 O2 K1 115.04(14) . . ?
C23 O3 C22 111.48(19) . . ?
C23 O3 K1 122.82(15) . . ?
C22 O3 K1 116.96(15) . . ?
C20 O4 C21 110.4(2) . . ?
C20 O4 K1 115.00(14) . . ?
C21 O4 K1 112.63(15) . . ?
C26 O5 C27 111.0(2) . . ?
C26 O5 K1 117.53(16) . . ?
C27 O5 K1 114.43(14) . . ?
C29 O6 C28 110.2(2) . . ?
C29 O6 K1 117.55(15) . . ?
C28 O6 K1 114.83(15) . . ?
C33 O7 C32 111.41(19) . . ?
C33 O7 K2 117.37(15) . . ?
C32 O7 K2 117.37(16) . . ?
C34 O8 C35 111.2(2) . . ?
C34 O8 K2 115.07(14) . . ?
C35 O8 K2 113.66(14) . . ?
C41 O9 C40 111.7(2) . . ?
C41 O9 K2 116.00(15) . . ?
C40 O9 K2 116.94(14) . . ?
C38 O10 C39 110.71(19) . . ?
C38 O10 K2 117.65(15) . . ?
C39 O10 K2 111.09(14) . . ?
C45 O11 C44 110.4(2) . . ?
C45 O11 K2 111.87(14) . . ?
C44 O11 K2 115.56(16) . . ?
C46 O12 C47 110.6(2) . . ?
C46 O12 K2 117.99(15) . . ?
C47 O12 K2 114.03(15) . . ?
C49 O13 C52 109.2(2) . . ?
C1 Si1 C8 109.73(13) . . ?
C1 Si1 C7 116.73(13) . . ?
C8 Si1 C7 105.43(14) . . ?
C1 Si1 C9 110.98(13) . . ?
C8 Si1 C9 107.87(16) . . ?
C7 Si1 C9 105.63(16) . . ?
C4 Si2 C10 110.72(13) . . ?
C4 Si2 C11 117.24(13) . . ?
C10 Si2 C11 105.54(16) . . ?
C4 Si2 C12 109.69(13) . . ?
C10 Si2 C12 106.20(16) . . ?
C11 Si2 C12 106.81(13) . . ?
Cl05 Y1 Cl06 98.46(2) . . ?
Cl05 Y1 Cl07 98.80(2) . . ?
Cl06 Y1 Cl07 96.96(2) . . ?
Cl05 Y1 C2 139.62(6) . . ?
Cl06 Y1 C2 120.77(6) . . ?
Cl07 Y1 C2 86.43(6) . . ?
Cl05 Y1 C3 108.16(6) . . ?
Cl06 Y1 C3 150.96(6) . . ?
Cl07 Y1 C3 90.37(6) . . ?
C2 Y1 C3 31.48(8) . . ?
Cl05 Y1 C1 144.45(6) . . ?
Cl06 Y1 C1 96.85(6) . . ?
Cl07 Y1 C1 110.94(6) . . ?
C2 Y1 C1 31.69(8) . . ?
C3 Y1 C1 54.50(8) . . ?
Cl05 Y1 C4 89.55(6) . . ?
Cl06 Y1 C4 141.71(6) . . ?
Cl07 Y1 C4 118.84(6) . . ?
C2 Y1 C4 54.22(8) . . ?
C3 Y1 C4 31.48(8) . . ?
C1 Y1 C4 59.49(8) . . ?
Cl05 Y1 Ge1 105.357(18) . . ?
Cl06 Y1 Ge1 102.485(18) . . ?
Cl07 Y1 Ge1 146.12(2) . . ?
C2 Y1 Ge1 59.80(5) . . ?
C3 Y1 Ge1 59.84(5) . . ?
C1 Y1 Ge1 39.72(5) . . ?
C4 Y1 Ge1 39.73(5) . . ?

_refine_diff_density_max         0.454
_refine_diff_density_min         -0.372
_refine_diff_density_rms         0.073



####################################################################### 
# 
# 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 2058187'
loop_
_audit_author_name
_audit_author_address
'Gengwen Tan'
;Soochow University
China
;
_audit_update_record             
;
2021-03-08 deposited with the CCDC.	2021-03-16 downloaded from the CCDC.
;

_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            'C44 H78 Ge2 Si4 Y2'
_chemical_formula_weight         1042.42

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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.6017(7)
_cell_length_b                   19.7402(11)
_cell_length_c                   11.7109(8)
_cell_angle_alpha                90
_cell_angle_beta                 114.748(2)
_cell_angle_gamma                90
_cell_volume                     2435.7(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    135(2)
_cell_measurement_reflns_used    8523
_cell_measurement_theta_min      2.18
_cell_measurement_theta_max      27.43

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.421
_exptl_crystal_F_000             1080
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    3.708
_shelx_estimated_absorpt_T_min   0.555
_shelx_estimated_absorpt_T_max   0.665
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4681
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      135(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24029
_diffrn_reflns_av_unetI/netI     0.0549
_diffrn_reflns_av_R_equivalents  0.0719
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         1.915
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             4788
_reflns_number_gt                4116
_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          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0705P)²+1.3454P] 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         4788
_refine_ls_number_parameters     249
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0556
_refine_ls_R_factor_gt           0.0434
_refine_ls_wR_factor_ref         0.1241
_refine_ls_wR_factor_gt          0.1165
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_restrained_S_all      1.078
_refine_ls_shift/su_max          0.001
_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
C1 C 0.5575(4) 0.6250(2) 0.4519(4) 0.0233(10) Uani 1 1 d . . . . .
C2 C 0.5855(4) 0.6772(2) 0.5438(4) 0.0225(9) Uani 1 1 d . . . . .
C3 C 0.5122(4) 0.6765(2) 0.6150(4) 0.0235(10) Uani 1 1 d . . . . .
C4 C 0.4178(4) 0.6241(2) 0.5854(4) 0.0216(10) Uani 1 1 d . . . . .
C5 C 0.6779(5) 0.7335(2) 0.5534(5) 0.0310(11) Uani 1 1 d . . . . .
H5A H 0.7521 0.7144 0.5453 0.047 Uiso 1 1 calc R U . . .
H5B H 0.7050 0.7561 0.6351 0.047 Uiso 1 1 calc R U . . .
H5C H 0.6363 0.7665 0.4860 0.047 Uiso 1 1 calc R U . . .
C6 C 0.5227(5) 0.7321(2) 0.7096(5) 0.0304(11) Uani 1 1 d . . . . .
H6A H 0.5911 0.7634 0.7172 0.046 Uiso 1 1 calc R U . . .
H6B H 0.5413 0.7116 0.7917 0.046 Uiso 1 1 calc R U . . .
H6C H 0.4423 0.7569 0.6806 0.046 Uiso 1 1 calc R U . . .
C7 C 0.7759(5) 0.6309(3) 0.3563(5) 0.0352(12) Uani 1 1 d . . . . .
H7A H 0.8004 0.6785 0.3758 0.053 Uiso 1 1 calc R U . . .
H7B H 0.7914 0.6168 0.2837 0.053 Uiso 1 1 calc R U . . .
H7C H 0.8263 0.6027 0.4290 0.053 Uiso 1 1 calc R U . . .
C8 C 0.5402(5) 0.5373(3) 0.2384(5) 0.0281(11) Uani 1 1 d . . . . .
H8A H 0.5673 0.5009 0.3010 0.042 Uiso 1 1 calc R U . . .
H8B H 0.5740 0.5290 0.1757 0.042 Uiso 1 1 calc R U . . .
H8C H 0.4473 0.5387 0.1968 0.042 Uiso 1 1 calc R U . . .
C9 C 0.5176(6) 0.6877(3) 0.2007(5) 0.0398(13) Uani 1 1 d . . . . .
H9A H 0.4267 0.6861 0.1805 0.060 Uiso 1 1 calc R U . . .
H9B H 0.5303 0.6800 0.1241 0.060 Uiso 1 1 calc R U . . .
H9C H 0.5515 0.7323 0.2355 0.060 Uiso 1 1 calc R U . . .
C10 C 0.1856(5) 0.5472(3) 0.5793(5) 0.0327(12) Uani 1 1 d . . . . .
H10A H 0.2103 0.5227 0.5202 0.049 Uiso 1 1 calc R U . . .
H10B H 0.0956 0.5594 0.5374 0.049 Uiso 1 1 calc R U . . .
H10C H 0.1997 0.5182 0.6519 0.049 Uiso 1 1 calc R U . . .
C11 C 0.1748(5) 0.6976(3) 0.5536(6) 0.0429(14) Uani 1 1 d . . . . .
H11A H 0.2205 0.7405 0.5804 0.064 Uiso 1 1 calc R U . . .
H11B H 0.1024 0.6971 0.5761 0.064 Uiso 1 1 calc R U . . .
H11C H 0.1442 0.6928 0.4623 0.064 Uiso 1 1 calc R U . . .
C12 C 0.3322(5) 0.6345(3) 0.8080(5) 0.0394(13) Uani 1 1 d . . . . .
H12A H 0.3987 0.6014 0.8530 0.059 Uiso 1 1 calc R U . . .
H12B H 0.2585 0.6263 0.8266 0.059 Uiso 1 1 calc R U . . .
H12C H 0.3646 0.6803 0.8351 0.059 Uiso 1 1 calc R U . . .
C13 C 0.8744(4) 0.5136(3) 0.8063(4) 0.0272(11) Uani 1 1 d . . . . .
C14 C 0.8855(5) 0.5841(3) 0.7890(5) 0.0290(11) Uani 1 1 d . . . . .
C15 C 0.8278(5) 0.6189(2) 0.8570(4) 0.0282(11) Uani 1 1 d . . . . .
C16 C 0.7781(5) 0.5706(3) 0.9134(5) 0.0295(12) Uani 1 1 d . . . . .
C17 C 0.8094(5) 0.5051(3) 0.8829(4) 0.0308(11) Uani 1 1 d . . . . .
C18 C 0.9400(5) 0.4576(3) 0.7679(6) 0.0423(14) Uani 1 1 d . . . . .
H18A H 1.0065 0.4375 0.8431 0.063 Uiso 1 1 calc R U . . .
H18B H 0.9780 0.4763 0.7141 0.063 Uiso 1 1 calc R U . . .
H18C H 0.8779 0.4227 0.7215 0.063 Uiso 1 1 calc R U . . .
C19 C 0.9603(5) 0.6153(3) 0.7249(6) 0.0404(14) Uani 1 1 d . . . . .
H19A H 1.0429 0.6302 0.7882 0.061 Uiso 1 1 calc R U . . .
H19B H 0.9140 0.6543 0.6751 0.061 Uiso 1 1 calc R U . . .
H19C H 0.9730 0.5817 0.6696 0.061 Uiso 1 1 calc R U . . .
C20 C 0.8427(5) 0.6940(3) 0.8867(6) 0.0429(14) Uani 1 1 d . . . . .
H20A H 0.9188 0.7015 0.9647 0.064 Uiso 1 1 calc R U . . .
H20B H 0.7680 0.7105 0.8970 0.064 Uiso 1 1 calc R U . . .
H20C H 0.8509 0.7184 0.8177 0.064 Uiso 1 1 calc R U . . .
C21 C 0.7161(6) 0.5861(4) 1.0001(5) 0.0504(17) Uani 1 1 d . . . . .
H21A H 0.7801 0.6027 1.0805 0.076 Uiso 1 1 calc R U . . .
H21B H 0.6768 0.5449 1.0143 0.076 Uiso 1 1 calc R U . . .
H21C H 0.6508 0.6209 0.9621 0.076 Uiso 1 1 calc R U . . .
C22 C 0.7948(6) 0.4384(3) 0.9373(6) 0.0469(16) Uani 1 1 d . . . . .
H22A H 0.7562 0.4053 0.8693 0.070 Uiso 1 1 calc R U . . .
H22B H 0.7403 0.4443 0.9817 0.070 Uiso 1 1 calc R U . . .
H22C H 0.8784 0.4220 0.9962 0.070 Uiso 1 1 calc R U . . .
Ge1 Ge 0.40659(5) 0.57597(2) 0.43753(4) 0.01994(14) Uani 1 1 d . . . . .
Si1 Si 0.60201(13) 0.62076(7) 0.31871(13) 0.0253(3) Uani 1 1 d . . . . .
Si2 Si 0.28358(13) 0.62594(7) 0.63341(13) 0.0267(3) Uani 1 1 d . . . . .
Y1 Y 0.63966(4) 0.56111(2) 0.67323(4) 0.02047(14) 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
C1 C2 1.427(6) . ?
C1 Si1 1.838(5) . ?
C1 Ge1 1.945(5) . ?
C1 Y1 2.674(5) . ?
C2 C3 1.418(7) . ?
C2 C5 1.515(6) . ?
C2 Y1 2.674(4) . ?
C3 C4 1.440(6) . ?
C3 C6 1.527(6) . ?
C3 Y1 2.646(4) . ?
C4 Si2 1.865(5) . ?
C4 Ge1 1.931(5) . ?
C4 Y1 2.647(4) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 Si1 1.887(5) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 Si1 1.883(5) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 Si1 1.867(5) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 Si2 1.873(5) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 Si2 1.865(5) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 Si2 1.887(5) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C17 1.403(8) . ?
C13 C14 1.420(7) . ?
C13 C18 1.513(7) . ?
C13 Y1 2.678(4) . ?
C14 C15 1.415(7) . ?
C14 C19 1.496(8) . ?
C14 Y1 2.635(5) . ?
C15 C16 1.414(7) . ?
C15 C20 1.515(7) . ?
C15 Y1 2.601(4) . ?
C16 C17 1.429(7) . ?
C16 C21 1.501(8) . ?
C16 Y1 2.596(5) . ?
C17 C22 1.502(7) . ?
C17 Y1 2.662(5) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
Ge1 Y1 2.9512(6) 3_666 ?
Ge1 Y1 2.9610(6) . ?
Y1 Ge1 2.9513(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
C2 C1 Si1 128.1(4) . . ?
C2 C1 Ge1 109.7(3) . . ?
Si1 C1 Ge1 117.8(2) . . ?
C2 C1 Y1 74.5(3) . . ?
Si1 C1 Y1 133.5(2) . . ?
Ge1 C1 Y1 77.99(16) . . ?
C3 C2 C1 115.7(4) . . ?
C3 C2 C5 122.9(4) . . ?
C1 C2 C5 121.1(4) . . ?
C3 C2 Y1 73.5(3) . . ?
C1 C2 Y1 74.5(3) . . ?
C5 C2 Y1 126.6(3) . . ?
C2 C3 C4 116.6(4) . . ?
C2 C3 C6 122.3(4) . . ?
C4 C3 C6 120.8(4) . . ?
C2 C3 Y1 75.6(3) . . ?
C4 C3 Y1 74.3(2) . . ?
C6 C3 Y1 124.4(3) . . ?
C3 C4 Si2 124.1(3) . . ?
C3 C4 Ge1 109.2(3) . . ?
Si2 C4 Ge1 121.9(2) . . ?
C3 C4 Y1 74.1(3) . . ?
Si2 C4 Y1 133.7(2) . . ?
Ge1 C4 Y1 78.89(15) . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si1 C8 H8A 109.5 . . ?
Si1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si1 C9 H9A 109.5 . . ?
Si1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C17 C13 C14 108.3(4) . . ?
C17 C13 C18 125.1(5) . . ?
C14 C13 C18 125.9(5) . . ?
C17 C13 Y1 74.1(3) . . ?
C14 C13 Y1 72.8(3) . . ?
C18 C13 Y1 126.7(3) . . ?
C15 C14 C13 107.6(4) . . ?
C15 C14 C19 126.3(5) . . ?
C13 C14 C19 125.6(5) . . ?
C15 C14 Y1 73.0(3) . . ?
C13 C14 Y1 76.2(3) . . ?
C19 C14 Y1 122.9(3) . . ?
C16 C15 C14 108.5(4) . . ?
C16 C15 C20 125.6(5) . . ?
C14 C15 C20 124.7(5) . . ?
C16 C15 Y1 74.0(3) . . ?
C14 C15 Y1 75.7(3) . . ?
C20 C15 Y1 126.5(3) . . ?
C15 C16 C17 107.3(5) . . ?
C15 C16 C21 125.7(5) . . ?
C17 C16 C21 126.7(5) . . ?
C15 C16 Y1 74.4(3) . . ?
C17 C16 Y1 76.8(3) . . ?
C21 C16 Y1 119.6(3) . . ?
C13 C17 C16 108.2(5) . . ?
C13 C17 C22 124.2(5) . . ?
C16 C17 C22 127.0(5) . . ?
C13 C17 Y1 75.4(3) . . ?
C16 C17 Y1 71.7(3) . . ?
C22 C17 Y1 125.7(3) . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C4 Ge1 C1 87.56(19) . . ?
C4 Ge1 Y1 140.96(14) . 3_666 ?
C1 Ge1 Y1 119.04(14) . 3_666 ?
C4 Ge1 Y1 61.33(13) . . ?
C1 Ge1 Y1 62.03(13) . . ?
Y1 Ge1 Y1 104.241(18) 3_666 . ?
C1 Si1 C9 110.4(2) . . ?
C1 Si1 C8 106.2(2) . . ?
C9 Si1 C8 106.1(2) . . ?
C1 Si1 C7 116.7(2) . . ?
C9 Si1 C7 106.0(3) . . ?
C8 Si1 C7 110.8(2) . . ?
C4 Si2 C11 109.8(2) . . ?
C4 Si2 C10 110.3(2) . . ?
C11 Si2 C10 105.8(3) . . ?
C4 Si2 C12 114.8(2) . . ?
C11 Si2 C12 107.9(3) . . ?
C10 Si2 C12 107.8(3) . . ?
C16 Y1 C15 31.57(16) . . ?
C16 Y1 C14 52.05(16) . . ?
C15 Y1 C14 31.34(16) . . ?
C16 Y1 C3 104.04(15) . . ?
C15 Y1 C3 91.17(14) . . ?
C14 Y1 C3 110.62(15) . . ?
C16 Y1 C4 116.54(15) . . ?
C15 Y1 C4 117.28(15) . . ?
C14 Y1 C4 141.82(15) . . ?
C3 Y1 C4 31.58(14) . . ?
C16 Y1 C17 31.50(16) . . ?
C15 Y1 C17 51.57(16) . . ?
C14 Y1 C17 51.20(16) . . ?
C3 Y1 C17 135.54(15) . . ?
C4 Y1 C17 141.00(16) . . ?
C16 Y1 C2 116.38(15) . . ?
C15 Y1 C2 90.56(15) . . ?
C14 Y1 C2 95.23(15) . . ?
C3 Y1 C2 30.91(15) . . ?
C4 Y1 C2 54.38(14) . . ?
C17 Y1 C2 141.91(15) . . ?
C16 Y1 C1 145.49(15) . . ?
C15 Y1 C1 115.49(15) . . ?
C14 Y1 C1 106.70(15) . . ?
C3 Y1 C1 53.84(14) . . ?
C4 Y1 C1 60.52(14) . . ?
C17 Y1 C1 156.39(16) . . ?
C2 Y1 C1 30.95(13) . . ?
C16 Y1 C13 51.52(16) . . ?
C15 Y1 C13 51.34(15) . . ?
C14 Y1 C13 31.00(15) . . ?
C3 Y1 C13 140.73(15) . . ?
C4 Y1 C13 167.65(14) . . ?
C17 Y1 C13 30.46(16) . . ?
C2 Y1 C13 124.81(15) . . ?
C1 Y1 C13 126.32(15) . . ?
C16 Y1 Ge1 117.28(12) . 3_666 ?
C15 Y1 Ge1 134.51(11) . 3_666 ?
C14 Y1 Ge1 110.02(11) . 3_666 ?
C3 Y1 Ge1 134.21(10) . 3_666 ?
C4 Y1 Ge1 106.93(10) . 3_666 ?
C17 Y1 Ge1 87.28(11) . 3_666 ?
C2 Y1 Ge1 125.49(10) . 3_666 ?
C1 Y1 Ge1 94.63(10) . 3_666 ?
C13 Y1 Ge1 83.57(10) . 3_666 ?
C16 Y1 Ge1 155.77(12) . . ?
C15 Y1 Ge1 148.26(11) . . ?
C14 Y1 Ge1 146.30(12) . . ?
C3 Y1 Ge1 58.71(10) . . ?
C4 Y1 Ge1 39.78(10) . . ?
C17 Y1 Ge1 159.30(11) . . ?
C2 Y1 Ge1 58.69(10) . . ?
C1 Y1 Ge1 39.98(10) . . ?
C13 Y1 Ge1 152.44(10) . . ?
Ge1 Y1 Ge1 75.760(18) 3_666 . ?

_refine_diff_density_max         1.241
_refine_diff_density_min         -0.892
_refine_diff_density_rms         0.120

####################################################################### 
# 
# 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_c2c_a_sq
_database_code_depnum_ccdc_archive 'CCDC 2058188'
loop_
_audit_author_name
_audit_author_address
'Gengwen Tan'
;Soochow University
China
;
_audit_update_record             
;
2021-03-08 deposited with the CCDC.	2021-03-16 downloaded from the CCDC.
;

_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            'C62 H112 Ge4 K2 Si8 Y2'
_chemical_formula_weight         1628.61

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'
Ge Ge 0.1547 1.8001 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 '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                   19.7531(6)
_cell_length_b                   18.6849(5)
_cell_length_c                   22.8277(6)
_cell_angle_alpha                90
_cell_angle_beta                 95.2220(10)
_cell_angle_gamma                90
_cell_volume                     8390.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    4386
_cell_measurement_theta_min      2.61
_cell_measurement_theta_max      27.45

_exptl_crystal_description       plate
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_F_000             3360
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.240
_exptl_absorpt_coefficient_mu    3.026
_shelx_estimated_absorpt_T_min   0.393
_shelx_estimated_absorpt_T_max   0.530
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4341
_exptl_absorpt_correction_T_max  0.7456
_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       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            41120
_diffrn_reflns_av_unetI/netI     0.0434
_diffrn_reflns_av_R_equivalents  0.0570
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.266
_diffrn_reflns_theta_max         25.996
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             8227
_reflns_number_gt                6656
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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)+(0.0823P)²+18.9796P] 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         8227
_refine_ls_number_parameters     406
_refine_ls_number_restraints     260
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0448
_refine_ls_wR_factor_ref         0.1451
_refine_ls_wR_factor_gt          0.1379
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.001
_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
C1 C 0.6367(2) 0.6525(2) 0.49050(17) 0.0344(9) Uani 1 1 d . . . . .
C2 C 0.5748(2) 0.6842(3) 0.50573(18) 0.0364(10) Uani 1 1 d . . . . .
C3 C 0.5667(2) 0.7584(3) 0.49505(19) 0.0383(10) Uani 1 1 d . . . . .
C4 C 0.6224(2) 0.7931(2) 0.47050(18) 0.0346(9) Uani 1 1 d . . . . .
C5 C 0.5153(2) 0.6405(3) 0.5251(2) 0.0470(12) Uani 1 1 d . . . . .
H5A H 0.4951 0.6657 0.5568 0.071 Uiso 1 1 calc R U . . .
H5B H 0.5317 0.5935 0.5391 0.071 Uiso 1 1 calc R U . . .
H5C H 0.4810 0.6343 0.4916 0.071 Uiso 1 1 calc R U . . .
C6 C 0.5000(2) 0.7949(3) 0.5018(2) 0.0525(13) Uani 1 1 d . . . . .
H6A H 0.4667 0.7805 0.4696 0.079 Uiso 1 1 calc R U . . .
H6B H 0.5063 0.8469 0.5009 0.079 Uiso 1 1 calc R U . . .
H6C H 0.4836 0.7810 0.5395 0.079 Uiso 1 1 calc R U . . .
C7 C 0.5804(3) 0.5281(3) 0.4153(2) 0.0603(15) Uani 1 1 d . . . . .
H7A H 0.5347 0.5354 0.4276 0.090 Uiso 1 1 calc R U . . .
H7B H 0.5867 0.4775 0.4061 0.090 Uiso 1 1 calc R U . . .
H7C H 0.5860 0.5571 0.3803 0.090 Uiso 1 1 calc R U . . .
C8 C 0.7302(3) 0.5380(3) 0.4499(3) 0.0577(14) Uani 1 1 d . . . . .
H8A H 0.7252 0.5038 0.4172 0.087 Uiso 1 1 calc R U . . .
H8B H 0.7607 0.5180 0.4820 0.087 Uiso 1 1 calc R U . . .
H8C H 0.7494 0.5828 0.4364 0.087 Uiso 1 1 calc R U . . .
C9 C 0.6339(3) 0.4932(3) 0.5395(2) 0.0578(14) Uani 1 1 d . . . . .
H9A H 0.6600 0.5109 0.5751 0.087 Uiso 1 1 calc R U . . .
H9B H 0.6501 0.4454 0.5300 0.087 Uiso 1 1 calc R U . . .
H9C H 0.5856 0.4908 0.5461 0.087 Uiso 1 1 calc R U . . .
C10 C 0.5591(3) 0.8721(3) 0.3631(2) 0.0627(15) Uani 1 1 d . . . . .
H10A H 0.5682 0.8277 0.3424 0.094 Uiso 1 1 calc R U . . .
H10B H 0.5661 0.9131 0.3376 0.094 Uiso 1 1 calc R U . . .
H10C H 0.5120 0.8720 0.3734 0.094 Uiso 1 1 calc R U . . .
C11 C 0.7054(3) 0.8972(3) 0.4095(2) 0.0594(15) Uani 1 1 d . . . . .
H11A H 0.7384 0.8955 0.4442 0.089 Uiso 1 1 calc R U . . .
H11B H 0.7063 0.9447 0.3914 0.089 Uiso 1 1 calc R U . . .
H11C H 0.7171 0.8609 0.3811 0.089 Uiso 1 1 calc R U . . .
C12 C 0.5920(3) 0.9576(3) 0.4752(2) 0.0598(14) Uani 1 1 d . . . . .
H12A H 0.5427 0.9563 0.4774 0.090 Uiso 1 1 calc R U . . .
H12B H 0.6044 1.0019 0.4559 0.090 Uiso 1 1 calc R U . . .
H12C H 0.6152 0.9557 0.5150 0.090 Uiso 1 1 calc R U . . .
C13 C 0.6456(2) 0.6913(2) 0.68360(17) 0.0321(9) Uani 1 1 d . . . . .
C14 C 0.7053(2) 0.7348(2) 0.69318(17) 0.0311(9) Uani 1 1 d . . . . .
C15 C 0.6961(2) 0.8095(2) 0.68160(17) 0.0333(9) Uani 1 1 d . . . . .
C16 C 0.6286(2) 0.8308(2) 0.66169(17) 0.0359(10) Uani 1 1 d . . . . .
C17 C 0.7545(2) 0.8614(2) 0.6950(2) 0.0418(11) Uani 1 1 d . . . . .
H17A H 0.7619 0.8689 0.7376 0.063 Uiso 1 1 calc R U . . .
H17B H 0.7435 0.9072 0.6754 0.063 Uiso 1 1 calc R U . . .
H17C H 0.7959 0.8416 0.6806 0.063 Uiso 1 1 calc R U . . .
C18 C 0.7731(2) 0.7083(3) 0.71997(19) 0.0394(10) Uani 1 1 d . . . . .
H18A H 0.8092 0.7267 0.6973 0.059 Uiso 1 1 calc R U . . .
H18B H 0.7736 0.6559 0.7194 0.059 Uiso 1 1 calc R U . . .
H18C H 0.7807 0.7252 0.7607 0.059 Uiso 1 1 calc R U . . .
C19 C 0.5084(3) 0.9270(3) 0.6281(2) 0.0649(17) Uani 1 1 d . . . . .
H19A H 0.5116 0.9301 0.5856 0.097 Uiso 1 1 calc R U . . .
H19B H 0.4847 0.9693 0.6414 0.097 Uiso 1 1 calc R U . . .
H19C H 0.4832 0.8838 0.6371 0.097 Uiso 1 1 calc R U . . .
C20 C 0.6419(4) 1.0034(3) 0.6417(3) 0.0682(17) Uani 1 1 d . . . . .
H20A H 0.6838 1.0101 0.6676 0.102 Uiso 1 1 calc R U . . .
H20B H 0.6132 1.0460 0.6435 0.102 Uiso 1 1 calc R U . . .
H20C H 0.6532 0.9961 0.6012 0.102 Uiso 1 1 calc R U . . .
C21 C 0.5920(4) 0.9432(3) 0.7474(3) 0.0726(18) Uani 1 1 d . . . . .
H21A H 0.6380 0.9409 0.7673 0.109 Uiso 1 1 calc R U . . .
H21B H 0.5733 0.9912 0.7520 0.109 Uiso 1 1 calc R U . . .
H21C H 0.5630 0.9079 0.7649 0.109 Uiso 1 1 calc R U . . .
C22 C 0.7009(3) 0.5302(3) 0.7030(2) 0.0533(13) Uani 1 1 d . . . . .
H22A H 0.7025 0.5211 0.6609 0.080 Uiso 1 1 calc R U . . .
H22B H 0.6889 0.4860 0.7226 0.080 Uiso 1 1 calc R U . . .
H22C H 0.7456 0.5468 0.7199 0.080 Uiso 1 1 calc R U . . .
C23 C 0.5515(3) 0.5621(3) 0.6850(2) 0.0486(12) Uani 1 1 d . . . . .
H23A H 0.5153 0.5960 0.6922 0.073 Uiso 1 1 calc R U . . .
H23B H 0.5439 0.5169 0.7052 0.073 Uiso 1 1 calc R U . . .
H23C H 0.5511 0.5534 0.6426 0.073 Uiso 1 1 calc R U . . .
C24 C 0.6385(3) 0.6074(3) 0.7963(2) 0.0587(15) Uani 1 1 d . . . . .
H24A H 0.6333 0.5596 0.8131 0.088 Uiso 1 1 calc R U . . .
H24B H 0.6822 0.6278 0.8118 0.088 Uiso 1 1 calc R U . . .
H24C H 0.6015 0.6383 0.8069 0.088 Uiso 1 1 calc R U . . .
C25 C 0.7203(3) 0.7252(2) 0.9223(3) 0.0573(10) Uani 0.679(5) 1 d DG U P A 2
C26 C 0.7688(2) 0.7588(3) 0.8914(3) 0.0590(10) Uani 0.679(5) 1 d DG U P A 2
H26 H 0.8058 0.7321 0.8788 0.071 Uiso 0.679(5) 1 calc R U P A 2
C27 C 0.7630(3) 0.8315(3) 0.8788(3) 0.0588(10) Uani 0.679(5) 1 d G U P A 2
H27 H 0.7961 0.8544 0.8576 0.071 Uiso 0.679(5) 1 calc R U P A 2
C28 C 0.7089(3) 0.8705(2) 0.8971(3) 0.0563(10) Uani 0.679(5) 1 d G U P A 2
H28 H 0.7050 0.9201 0.8885 0.068 Uiso 0.679(5) 1 calc R U P A 2
C29 C 0.6605(2) 0.8368(2) 0.9281(3) 0.0542(11) Uani 0.679(5) 1 d G U P A 2
H29 H 0.6235 0.8635 0.9406 0.065 Uiso 0.679(5) 1 calc R U P A 2
C30 C 0.6662(2) 0.7642(3) 0.9407(2) 0.0548(10) Uani 0.679(5) 1 d DG U P A 2
H30 H 0.6331 0.7412 0.9618 0.066 Uiso 0.679(5) 1 calc R U P A 2
C31 C 0.7270(4) 0.6530(4) 0.9364(4) 0.0697(15) Uani 0.679(5) 1 d D U P A 2
H31A H 0.6888 0.6379 0.9581 0.105 Uiso 0.679(5) 1 calc R U P A 2
H31B H 0.7272 0.6248 0.9002 0.105 Uiso 0.679(5) 1 calc R U P A 2
H31C H 0.7698 0.6453 0.9609 0.105 Uiso 0.679(5) 1 calc R U P A 2
C25A C 0.7606(6) 0.7330(4) 0.8997(6) 0.0581(11) Uani 0.321(5) 1 d DG U P A 1
C26A C 0.7843(5) 0.7937(5) 0.8729(5) 0.0586(11) Uani 0.321(5) 1 d DG U P A 1
H26A H 0.8231 0.7905 0.8513 0.070 Uiso 0.321(5) 1 calc R U P A 1
C27A C 0.7514(6) 0.8588(5) 0.8776(5) 0.0578(11) Uani 0.321(5) 1 d G U P A 1
H27A H 0.7676 0.9003 0.8593 0.069 Uiso 0.321(5) 1 calc R U P A 1
C28A C 0.6946(6) 0.8634(5) 0.9092(6) 0.0574(11) Uani 0.321(5) 1 d G U P A 1
H28A H 0.6721 0.9080 0.9125 0.069 Uiso 0.321(5) 1 calc R U P A 1
C29A C 0.6708(5) 0.8028(6) 0.9361(5) 0.0563(10) Uani 0.321(5) 1 d G U P A 1
H29A H 0.6320 0.8059 0.9577 0.068 Uiso 0.321(5) 1 calc R U P A 1
C30A C 0.7038(6) 0.7376(5) 0.9314(6) 0.0575(11) Uani 0.321(5) 1 d DG U P A 1
H30A H 0.6876 0.6962 0.9497 0.069 Uiso 0.321(5) 1 calc R U P A 1
C31A C 0.7980(8) 0.6698(7) 0.8998(7) 0.0676(17) Uani 0.321(5) 1 d D U P A 1
H31D H 0.7747 0.6324 0.9203 0.101 Uiso 0.321(5) 1 calc R U P A 1
H31E H 0.8024 0.6548 0.8592 0.101 Uiso 0.321(5) 1 calc R U P A 1
H31F H 0.8433 0.6778 0.9200 0.101 Uiso 0.321(5) 1 calc R U P A 1
Ge1 Ge 0.68817(2) 0.72310(2) 0.44942(2) 0.02965(13) Uani 1 1 d . . . . .
Ge2 Ge 0.56375(2) 0.74996(3) 0.66148(2) 0.03525(14) Uani 1 1 d . . . . .
K1 K 0.62299(6) 0.77745(6) 0.79816(4) 0.0483(3) Uani 1 1 d . . . . .
Si1 Si 0.64547(7) 0.55581(7) 0.47651(6) 0.0428(3) Uani 1 1 d . . . . .
Si2 Si 0.61839(7) 0.87901(7) 0.43192(6) 0.0435(3) Uani 1 1 d . . . . .
Si3 Si 0.63567(7) 0.60034(7) 0.71358(5) 0.0376(3) Uani 1 1 d . . . . .
Si4 Si 0.59498(8) 0.92297(7) 0.66660(6) 0.0480(4) Uani 1 1 d . . . . .
Y1 Y 0.66914(2) 0.74513(2) 0.57695(2) 0.02614(12) 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
C1 C2 1.430(6) . ?
C1 Si1 1.845(5) . ?
C1 Ge1 1.957(4) . ?
C1 Y1 2.659(4) . ?
C2 C3 1.415(7) . ?
C2 C5 1.528(6) . ?
C2 Y1 2.619(4) . ?
C3 C4 1.434(6) . ?
C3 C6 1.503(6) . ?
C3 Y1 2.639(4) . ?
C4 Si2 1.830(5) . ?
C4 Ge1 1.934(4) . ?
C4 Y1 2.674(4) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 Si1 1.883(5) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 Si1 1.863(5) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 Si1 1.883(5) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 Si2 1.877(5) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 Si2 1.868(5) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 Si2 1.870(5) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.433(6) . ?
C13 Si3 1.849(4) . ?
C13 Ge2 1.981(4) . ?
C13 Y1 2.713(4) . ?
C13 K1 3.137(4) . ?
C14 C15 1.427(6) . ?
C14 C18 1.504(6) . ?
C14 Y1 2.691(4) . ?
C14 K1 3.119(4) . ?
C15 C16 1.425(6) . ?
C15 C17 1.518(6) . ?
C15 Y1 2.684(4) . ?
C15 K1 3.197(4) . ?
C16 Si4 1.854(4) . ?
C16 Ge2 1.980(5) . ?
C16 Y1 2.688(4) . ?
C16 K1 3.282(4) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 Si4 1.851(6) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 Si4 1.881(6) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 Si4 1.889(6) . ?
C21 K1 3.343(7) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 Si3 1.869(5) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 Si3 1.872(5) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 Si3 1.889(5) . ?
C24 K1 3.193(6) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.3900 . ?
C25 C30 1.3900 . ?
C25 C31 1.391(9) . ?
C25 K1 3.419(6) . ?
C26 C27 1.3900 . ?
C26 K1 3.439(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.3900 . ?
C27 K1 3.336(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.3900 . ?
C28 K1 3.210(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.3900 . ?
C29 K1 3.190(6) . ?
C29 H29 0.9500 . ?
C30 K1 3.297(6) . ?
C30 H30 0.9500 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C25A C26A 1.3900 . ?
C25A C30A 1.3900 . ?
C25A C31A 1.394(9) . ?
C25A K1 3.507(13) . ?
C26A C27A 1.3900 . ?
C26A K1 3.488(13) . ?
C26A H26A 0.9500 . ?
C27A C28A 1.3900 . ?
C27A K1 3.346(13) . ?
C27A H27A 0.9500 . ?
C28A C29A 1.3900 . ?
C28A K1 3.218(14) . ?
C28A H28A 0.9500 . ?
C29A C30A 1.3900 . ?
C29A K1 3.239(13) . ?
C29A H29A 0.9500 . ?
C30A K1 3.386(14) . ?
C30A H30A 0.9500 . ?
C31A H31D 0.9800 . ?
C31A H31E 0.9800 . ?
C31A H31F 0.9800 . ?
Ge1 Y1 2.9946(6) 7_666 ?
Ge1 Y1 2.9975(5) . ?
Ge2 Y1 2.9660(6) . ?
Ge2 K1 3.2717(11) . ?
Ge2 K1 3.9163(13) 2_656 ?
Y1 Ge1 2.9946(6) 7_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
C2 C1 Si1 122.9(3) . . ?
C2 C1 Ge1 109.3(3) . . ?
Si1 C1 Ge1 121.1(2) . . ?
C2 C1 Y1 72.8(2) . . ?
Si1 C1 Y1 138.2(2) . . ?
Ge1 C1 Y1 79.40(14) . . ?
C3 C2 C1 116.8(4) . . ?
C3 C2 C5 119.7(4) . . ?
C1 C2 C5 123.1(4) . . ?
C3 C2 Y1 75.1(2) . . ?
C1 C2 Y1 75.8(2) . . ?
C5 C2 Y1 125.1(3) . . ?
C2 C3 C4 115.5(4) . . ?
C2 C3 C6 120.9(4) . . ?
C4 C3 C6 123.1(4) . . ?
C2 C3 Y1 73.6(2) . . ?
C4 C3 Y1 75.7(2) . . ?
C6 C3 Y1 126.3(3) . . ?
C3 C4 Si2 125.7(3) . . ?
C3 C4 Ge1 110.4(3) . . ?
Si2 C4 Ge1 118.3(2) . . ?
C3 C4 Y1 73.0(2) . . ?
Si2 C4 Y1 136.7(2) . . ?
Ge1 C4 Y1 79.38(14) . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si1 C8 H8A 109.5 . . ?
Si1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si1 C9 H9A 109.5 . . ?
Si1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si2 C12 H12A 109.5 . . ?
Si2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 Si3 125.4(3) . . ?
C14 C13 Ge2 111.5(3) . . ?
Si3 C13 Ge2 119.4(2) . . ?
C14 C13 Y1 73.8(2) . . ?
Si3 C13 Y1 134.9(2) . . ?
Ge2 C13 Y1 76.61(12) . . ?
C14 C13 K1 76.1(2) . . ?
Si3 C13 K1 97.77(15) . . ?
Ge2 C13 K1 75.73(12) . . ?
Y1 C13 K1 127.35(15) . . ?
C15 C14 C13 115.9(4) . . ?
C15 C14 C18 119.4(4) . . ?
C13 C14 C18 124.4(4) . . ?
C15 C14 Y1 74.3(2) . . ?
C13 C14 Y1 75.5(2) . . ?
C18 C14 Y1 124.8(3) . . ?
C15 C14 K1 80.0(2) . . ?
C13 C14 K1 77.5(2) . . ?
C18 C14 K1 106.2(3) . . ?
Y1 C14 K1 128.98(16) . . ?
C16 C15 C14 115.6(4) . . ?
C16 C15 C17 123.9(4) . . ?
C14 C15 C17 120.4(4) . . ?
C16 C15 Y1 74.8(2) . . ?
C14 C15 Y1 74.9(2) . . ?
C17 C15 Y1 123.4(3) . . ?
C16 C15 K1 80.7(2) . . ?
C14 C15 K1 73.9(2) . . ?
C17 C15 K1 110.2(2) . . ?
Y1 C15 K1 126.08(15) . . ?
C15 C16 Si4 124.8(3) . . ?
C15 C16 Ge2 112.0(3) . . ?
Si4 C16 Ge2 118.2(2) . . ?
C15 C16 Y1 74.5(2) . . ?
Si4 C16 Y1 136.8(2) . . ?
Ge2 C16 Y1 77.25(13) . . ?
C15 C16 K1 74.0(2) . . ?
Si4 C16 K1 100.45(15) . . ?
Ge2 C16 K1 72.12(12) . . ?
Y1 C16 K1 122.72(15) . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C18 H18A 109.5 . . ?
C14 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C14 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si4 C19 H19A 109.5 . . ?
Si4 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Si4 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si4 C20 H20A 109.5 . . ?
Si4 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Si4 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si4 C21 K1 97.6(2) . . ?
Si4 C21 H21A 109.5 . . ?
K1 C21 H21A 70.5 . . ?
Si4 C21 H21B 109.5 . . ?
K1 C21 H21B 150.5 . . ?
H21A C21 H21B 109.5 . . ?
Si4 C21 H21C 109.5 . . ?
K1 C21 H21C 48.1 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si3 C22 H22A 109.5 . . ?
Si3 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si3 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si3 C23 H23A 109.5 . . ?
Si3 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si3 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si3 C24 K1 95.06(19) . . ?
Si3 C24 H24A 109.5 . . ?
K1 C24 H24A 152.5 . . ?
Si3 C24 H24B 109.5 . . ?
K1 C24 H24B 72.0 . . ?
H24A C24 H24B 109.5 . . ?
Si3 C24 H24C 109.5 . . ?
K1 C24 H24C 48.3 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C30 120.0 . . ?
C26 C25 C31 120.1(2) . . ?
C30 C25 C31 119.9(2) . . ?
C26 C25 K1 79.09(19) . . ?
C30 C25 K1 73.14(19) . . ?
C31 C25 K1 120.2(5) . . ?
C27 C26 C25 120.0 . . ?
C27 C26 K1 74.1(2) . . ?
C25 C26 K1 77.53(19) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
K1 C26 H26 119.4 . . ?
C26 C27 C28 120.0 . . ?
C26 C27 K1 82.3(2) . . ?
C28 C27 K1 72.7(2) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
K1 C27 H27 115.5 . . ?
C29 C28 C27 120.0 . . ?
C29 C28 K1 76.6(2) . . ?
C27 C28 K1 82.9(2) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
K1 C28 H28 110.8 . . ?
C30 C29 C28 120.0 . . ?
C30 C29 K1 82.0(2) . . ?
C28 C29 K1 78.3(2) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
K1 C29 H29 110.0 . . ?
C29 C30 C25 120.0 . . ?
C29 C30 K1 73.4(2) . . ?
C25 C30 K1 83.1(2) . . ?
C29 C30 H30 120.0 . . ?
C25 C30 H30 120.0 . . ?
K1 C30 H30 114.0 . . ?
C25 C31 H31A 109.5 . . ?
C25 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C25 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C26A C25A C30A 120.0 . . ?
C26A C25A C31A 119.4(2) . . ?
C30A C25A C31A 120.3(2) . . ?
C26A C25A K1 77.8(4) . . ?
C30A C25A K1 73.5(4) . . ?
C31A C25A K1 125.5(10) . . ?
C27A C26A C25A 120.0 . . ?
C27A C26A K1 72.6(4) . . ?
C25A C26A K1 79.3(4) . . ?
C27A C26A H26A 120.0 . . ?
C25A C26A H26A 120.0 . . ?
K1 C26A H26A 119.0 . . ?
C26A C27A C28A 120.0 . . ?
C26A C27A K1 84.1(5) . . ?
C28A C27A K1 72.7(4) . . ?
C26A C27A H27A 120.0 . . ?
C28A C27A H27A 120.0 . . ?
K1 C27A H27A 113.6 . . ?
C29A C28A C27A 120.0 . . ?
C29A C28A K1 78.4(5) . . ?
C27A C28A K1 83.0(4) . . ?
C29A C28A H28A 120.0 . . ?
C27A C28A H28A 120.0 . . ?
K1 C28A H28A 108.9 . . ?
C30A C29A C28A 120.0 . . ?
C30A C29A K1 83.9(5) . . ?
C28A C29A K1 76.7(5) . . ?
C30A C29A H29A 120.0 . . ?
C28A C29A H29A 120.0 . . ?
K1 C29A H29A 109.6 . . ?
C29A C30A C25A 120.0 . . ?
C29A C30A K1 72.0(4) . . ?
C25A C30A K1 83.3(4) . . ?
C29A C30A H30A 120.0 . . ?
C25A C30A H30A 120.0 . . ?
K1 C30A H30A 115.1 . . ?
C25A C31A H31D 109.5 . . ?
C25A C31A H31E 109.5 . . ?
H31D C31A H31E 109.5 . . ?
C25A C31A H31F 109.5 . . ?
H31D C31A H31F 109.5 . . ?
H31E C31A H31F 109.5 . . ?
C4 Ge1 C1 86.94(19) . . ?
C4 Ge1 Y1 125.56(13) . 7_666 ?
C1 Ge1 Y1 140.33(14) . 7_666 ?
C4 Ge1 Y1 61.26(12) . . ?
C1 Ge1 Y1 60.69(12) . . ?
Y1 Ge1 Y1 111.809(15) 7_666 . ?
C13 Ge2 C16 84.73(18) . . ?
C13 Ge2 Y1 62.87(11) . . ?
C16 Ge2 Y1 62.11(11) . . ?
C13 Ge2 K1 68.34(11) . . ?
C16 Ge2 K1 72.71(12) . . ?
Y1 Ge2 K1 114.45(3) . . ?
C13 Ge2 K1 141.00(12) . 2_656 ?
C16 Ge2 K1 121.52(12) . 2_656 ?
Y1 Ge2 K1 152.74(2) . 2_656 ?
K1 Ge2 K1 91.02(3) . 2_656 ?
C14 K1 C13 26.48(11) . . ?
C14 K1 C29 135.23(12) . . ?
C13 K1 C29 156.18(11) . . ?
C14 K1 C15 26.08(11) . . ?
C13 K1 C15 45.00(11) . . ?
C29 K1 C15 128.64(12) . . ?
C14 K1 C24 71.25(12) . . ?
C13 K1 C24 57.13(12) . . ?
C29 K1 C24 110.12(13) . . ?
C15 K1 C24 97.12(12) . . ?
C14 K1 C28A 120.7(2) . . ?
C13 K1 C28A 145.8(2) . . ?
C15 K1 C28A 111.3(2) . . ?
C24 K1 C28A 118.1(2) . . ?
C14 K1 C28 113.56(13) . . ?
C13 K1 C28 139.30(13) . . ?
C29 K1 C28 25.1 . . ?
C15 K1 C28 103.56(12) . . ?
C24 K1 C28 120.18(13) . . ?
C14 K1 C29A 131.14(18) . . ?
C13 K1 C29A 146.54(19) . . ?
C15 K1 C29A 131.90(19) . . ?
C24 K1 C29A 98.0(2) . . ?
C28A K1 C29A 24.86(9) . . ?
C14 K1 Ge2 52.66(8) . . ?
C13 K1 Ge2 35.93(8) . . ?
C29 K1 Ge2 166.88(9) . . ?
C15 K1 Ge2 52.06(8) . . ?
C24 K1 Ge2 81.82(9) . . ?
C28A K1 Ge2 157.4(2) . . ?
C28 K1 Ge2 151.21(9) . . ?
C29A K1 Ge2 175.94(16) . . ?
C14 K1 C16 44.20(11) . . ?
C13 K1 C16 49.07(11) . . ?
C29 K1 C16 138.74(13) . . ?
C15 K1 C16 25.36(11) . . ?
C24 K1 C16 106.14(12) . . ?
C28A K1 C16 123.1(2) . . ?
C28 K1 C16 116.24(12) . . ?
C29A K1 C16 147.8(2) . . ?
Ge2 K1 C16 35.17(8) . . ?
C14 K1 C30 129.25(12) . . ?
C13 K1 C30 137.75(12) . . ?
C29 K1 C30 24.7 . . ?
C15 K1 C30 137.68(11) . . ?
C24 K1 C30 85.50(12) . . ?
C28 K1 C30 43.41(6) . . ?
Ge2 K1 C30 165.31(9) . . ?
C16 K1 C30 158.64(12) . . ?
C14 K1 C27A 96.3(2) . . ?
C13 K1 C27A 121.8(2) . . ?
C15 K1 C27A 89.35(19) . . ?
C24 K1 C27A 113.0(2) . . ?
C28A K1 C27A 24.35(9) . . ?
C29A K1 C27A 42.85(13) . . ?
Ge2 K1 C27A 140.89(18) . . ?
C16 K1 C27A 106.68(19) . . ?
C1 Si1 C8 109.4(2) . . ?
C1 Si1 C9 117.1(2) . . ?
C8 Si1 C9 108.3(3) . . ?
C1 Si1 C7 109.2(2) . . ?
C8 Si1 C7 106.4(3) . . ?
C9 Si1 C7 105.9(3) . . ?
C4 Si2 C11 106.9(2) . . ?
C4 Si2 C12 115.9(2) . . ?
C11 Si2 C12 108.0(3) . . ?
C4 Si2 C10 109.8(2) . . ?
C11 Si2 C10 107.6(3) . . ?
C12 Si2 C10 108.3(3) . . ?
C13 Si3 C22 119.9(2) . . ?
C13 Si3 C23 110.0(2) . . ?
C22 Si3 C23 106.8(3) . . ?
C13 Si3 C24 108.2(2) . . ?
C22 Si3 C24 102.7(3) . . ?
C23 Si3 C24 108.7(2) . . ?
C13 Si3 K1 53.83(12) . . ?
C22 Si3 K1 138.10(18) . . ?
C23 Si3 K1 113.98(18) . . ?
C24 Si3 K1 55.69(18) . . ?
C19 Si4 C16 109.3(2) . . ?
C19 Si4 C20 106.5(3) . . ?
C16 Si4 C20 122.4(2) . . ?
C19 Si4 C21 110.2(3) . . ?
C16 Si4 C21 106.7(2) . . ?
C20 Si4 C21 101.3(3) . . ?
C2 Y1 C3 31.22(14) . . ?
C2 Y1 C1 31.42(13) . . ?
C3 Y1 C1 54.42(14) . . ?
C2 Y1 C4 54.16(13) . . ?
C3 Y1 C4 31.32(13) . . ?
C1 Y1 C4 60.25(13) . . ?
C2 Y1 C15 145.03(13) . . ?
C3 Y1 C15 131.73(14) . . ?
C1 Y1 C15 165.22(13) . . ?
C4 Y1 C15 133.07(14) . . ?
C2 Y1 C16 117.65(14) . . ?
C3 Y1 C16 101.22(14) . . ?
C1 Y1 C16 148.68(14) . . ?
C4 Y1 C16 110.73(13) . . ?
C15 Y1 C16 30.76(13) . . ?
C2 Y1 C14 133.70(13) . . ?
C3 Y1 C14 145.37(14) . . ?
C1 Y1 C14 135.20(13) . . ?
C4 Y1 C14 163.45(13) . . ?
C15 Y1 C14 30.80(12) . . ?
C16 Y1 C14 53.32(13) . . ?
C2 Y1 C13 103.03(13) . . ?
C3 Y1 C13 119.19(13) . . ?
C1 Y1 C13 112.03(13) . . ?
C4 Y1 C13 150.06(13) . . ?
C15 Y1 C13 53.39(13) . . ?
C16 Y1 C13 59.23(13) . . ?
C14 Y1 C13 30.75(13) . . ?
C2 Y1 Ge2 85.14(9) . . ?
C3 Y1 Ge2 85.39(10) . . ?
C1 Y1 Ge2 111.51(9) . . ?
C4 Y1 Ge2 112.11(9) . . ?
C15 Y1 Ge2 60.09(9) . . ?
C16 Y1 Ge2 40.63(10) . . ?
C14 Y1 Ge2 59.99(9) . . ?
C13 Y1 Ge2 40.52(9) . . ?
C2 Y1 Ge1 126.22(9) . 7_666 ?
C3 Y1 Ge1 120.94(10) . 7_666 ?
C1 Y1 Ge1 98.48(9) . 7_666 ?
C4 Y1 Ge1 90.24(9) . 7_666 ?
C15 Y1 Ge1 88.62(9) . 7_666 ?
C16 Y1 Ge1 111.95(10) . 7_666 ?
C14 Y1 Ge1 92.41(9) . 7_666 ?
C13 Y1 Ge1 119.67(9) . 7_666 ?
Ge2 Y1 Ge1 148.639(18) . 7_666 ?
C2 Y1 Ge1 58.84(9) . . ?
C3 Y1 Ge1 58.72(10) . . ?
C1 Y1 Ge1 39.91(9) . . ?
C4 Y1 Ge1 39.37(9) . . ?
C15 Y1 Ge1 153.34(9) . . ?
C16 Y1 Ge1 148.50(9) . . ?
C14 Y1 Ge1 154.45(9) . . ?
C13 Y1 Ge1 150.16(9) . . ?
Ge2 Y1 Ge1 142.523(18) . . ?
Ge1 Y1 Ge1 68.190(15) 7_666 . ?

_refine_diff_density_max         1.074
_refine_diff_density_min         -0.922
_refine_diff_density_rms         0.102



