# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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-Dy
_database_code_depnum_ccdc_archive 'CCDC 1833613'
_audit_update_record             
;
2018-03-29 deposited with the CCDC.
2018-05-30 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT910_1-Dy                
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         39 Note
RESPONSE: Data completeness is 97.7%, which is enough for a good refinement of data. Most of the missing reflections were excluded by the SHEL command in order to avoid problems related to extinction and saturation common to low theta reflections.
;

_audit_creation_method           SHELXL-2013

_chemical_name_systematic        
;
 ?
;
_chemical_name_common            '[(Pn?)Dy(Cp*)]'
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H61 Dy Si2'
_chemical_formula_sum            'C36 H61 Dy Si2'
_chemical_formula_weight         712.52

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 '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                   9.6968(5)
_cell_length_b                   12.7898(6)
_cell_length_c                   16.0392(7)
_cell_angle_alpha                71.948(4)
_cell_angle_beta                 75.157(4)
_cell_angle_gamma                80.771(4)
_cell_volume                     1821.05(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    6370
_cell_measurement_theta_min      9.7540
_cell_measurement_theta_max      71.2430

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_F_000             742
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    11.742
_shelx_estimated_absorpt_T_min   0.157
_shelx_estimated_absorpt_T_max   0.386
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.37760
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'Enhance Ultra (Cu) X-ray Source'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.1033
_diffrn_reflns_number            10563
_diffrn_reflns_av_unetI/netI     0.0731
_diffrn_reflns_av_R_equivalents  0.0519
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         9.799
_diffrn_reflns_theta_max         66.588
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measured_fraction_theta_full 0.955
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_Laue_measured_fraction_full 0.955
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_point_group_measured_fraction_full 0.955
_reflns_number_total             6300
_reflns_number_gt                5484
_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       
;
        crysalispro, agilent technologies,
        version 1.171.36.32 (release 02-08-2013 crysalis171 .net)
        (compiled aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
        crysalispro, agilent technologies,
        version 1.171.36.32 (release 02-08-2013 crysalis171 .net)
        (compiled aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
        crysalispro, agilent technologies,
        version 1.171.36.32 (release 02-08-2013 crysalis171 .net)
        (compiled aug  2 2013,16:46:58)
;
_computing_structure_solution    
;
        DIRDIF-08 (Beurskens et al., 2008)
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'ortep-3 (farrugia, 1997)'
_computing_publication_material  
;
shelxl-2013 (sheldrick, 2013), platon (spek, 2003), and wingx (farrugia, 2013)
;

_refine_special_details          
;
Atoms of the C5Me5 ligand C27 > C36 were positionally disordered over two sites.
The disorder was modelled adequately by splitting the Me groups C32 > C36 over 
two positions, with restrain instructions (ISOR) applied to give the thermal 
parameters more reasonable values. The distance between atoms C31 C36A was 
treated with DFIX 1.65 command to prevent serious checkCIF alerts.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0281P)²+9.6637P] 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         6300
_refine_ls_number_parameters     398
_refine_ls_number_restraints     61
_refine_ls_R_factor_all          0.0580
_refine_ls_R_factor_gt           0.0474
_refine_ls_wR_factor_ref         0.1130
_refine_ls_wR_factor_gt          0.1049
_refine_ls_goodness_of_fit_ref   0.877
_refine_ls_restrained_S_all      0.880
_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
C1 C 0.2618(6) 0.9448(4) 0.3398(4) 0.0315(11) Uani 1 1 d . . . . .
C2 C 0.1349(6) 0.9944(4) 0.3872(4) 0.0370(13) Uani 1 1 d . . . . .
H2 H 0.0615 0.9539 0.4308 0.044 Uiso 1 1 calc R U . . .
C3 C 0.1325(7) 1.1090(4) 0.3617(4) 0.0411(14) Uani 1 1 d . . . . .
H3 H 0.0582 1.1585 0.3835 0.049 Uiso 1 1 calc R U . . .
C4 C 0.2626(6) 1.1390(4) 0.2966(4) 0.0322(12) Uani 1 1 d . . . . .
C5 C 0.3418(6) 1.0370(4) 0.2855(4) 0.0361(13) Uani 1 1 d . . . . .
C6 C 0.4300(6) 1.0656(4) 0.1955(4) 0.0372(13) Uani 1 1 d . . . . .
H6 H 0.4948 1.0159 0.1676 0.045 Uiso 1 1 calc R U . . .
C7 C 0.4038(6) 1.1787(4) 0.1564(4) 0.0369(13) Uani 1 1 d . . . . .
H7 H 0.4488 1.2173 0.0972 0.044 Uiso 1 1 calc R U . . .
C8 C 0.3008(6) 1.2288(4) 0.2169(4) 0.0341(12) Uani 1 1 d . . . . .
C9 C 0.4994(7) 0.7689(5) 0.2954(5) 0.0485(16) Uani 1 1 d . . . . .
H9 H 0.5617 0.8310 0.2773 0.058 Uiso 1 1 calc R U . . .
C10 C 0.4594(8) 0.7677(6) 0.2112(5) 0.063(2) Uani 1 1 d . . . . .
H10A H 0.4004 0.8358 0.1897 0.095 Uiso 1 1 calc R U . . .
H10B H 0.4052 0.7040 0.2241 0.095 Uiso 1 1 calc R U . . .
H10C H 0.5465 0.7625 0.1649 0.095 Uiso 1 1 calc R U . . .
C11 C 0.5928(10) 0.6635(7) 0.3297(7) 0.087(3) Uani 1 1 d . . . . .
H11A H 0.6193 0.6657 0.3841 0.131 Uiso 1 1 calc R U . . .
H11B H 0.6797 0.6581 0.2833 0.131 Uiso 1 1 calc R U . . .
H11C H 0.5393 0.5991 0.3436 0.131 Uiso 1 1 calc R U . . .
C12 C 0.2119(8) 0.6900(5) 0.4174(5) 0.0602(19) Uani 1 1 d . . . . .
H12 H 0.2252 0.6633 0.3633 0.072 Uiso 1 1 calc R U . . .
C13 C 0.2498(11) 0.5886(6) 0.4925(7) 0.090(3) Uani 1 1 d . . . . .
H13A H 0.3516 0.5641 0.4765 0.135 Uiso 1 1 calc R U . . .
H13B H 0.1921 0.5288 0.4998 0.135 Uiso 1 1 calc R U . . .
H13C H 0.2298 0.6084 0.5491 0.135 Uiso 1 1 calc R U . . .
C14 C 0.0551(9) 0.7248(7) 0.4421(7) 0.081(3) Uani 1 1 d . . . . .
H14A H 0.0294 0.7888 0.3945 0.122 Uiso 1 1 calc R U . . .
H14B H 0.0340 0.7447 0.4987 0.122 Uiso 1 1 calc R U . . .
H14C H -0.0005 0.6638 0.4494 0.122 Uiso 1 1 calc R U . . .
C15 C 0.4122(7) 0.8003(5) 0.4835(4) 0.0493(16) Uani 1 1 d . . . . .
H15 H 0.4491 0.7227 0.5103 0.059 Uiso 1 1 calc R U . . .
C16 C 0.2964(10) 0.8358(7) 0.5576(5) 0.077(2) Uani 1 1 d . . . . .
H16A H 0.2161 0.7900 0.5754 0.116 Uiso 1 1 calc R U . . .
H16B H 0.2625 0.9135 0.5348 0.116 Uiso 1 1 calc R U . . .
H16C H 0.3370 0.8266 0.6097 0.116 Uiso 1 1 calc R U . . .
C17 C 0.5378(9) 0.8722(6) 0.4563(5) 0.068(2) Uani 1 1 d . . . . .
H17A H 0.6123 0.8496 0.4094 0.102 Uiso 1 1 calc R U . . .
H17B H 0.5773 0.8631 0.5088 0.102 Uiso 1 1 calc R U . . .
H17C H 0.5039 0.9498 0.4332 0.102 Uiso 1 1 calc R U . . .
C18 C 0.0582(6) 1.4010(5) 0.2585(5) 0.0449(15) Uani 1 1 d . . . . .
H18 H 0.0466 1.3606 0.3238 0.054 Uiso 1 1 calc R U . . .
C19 C -0.0402(8) 1.3507(7) 0.2238(5) 0.069(2) Uani 1 1 d . . . . .
H19A H -0.0058 1.2733 0.2276 0.103 Uiso 1 1 calc R U . . .
H19B H -0.0403 1.3917 0.1611 0.103 Uiso 1 1 calc R U . . .
H19C H -0.1377 1.3546 0.2605 0.103 Uiso 1 1 calc R U . . .
C20 C 0.0059(8) 1.5223(6) 0.2547(6) 0.081(3) Uani 1 1 d . . . . .
H20A H 0.0698 1.5528 0.2779 0.121 Uiso 1 1 calc R U . . .
H20B H -0.0915 1.5262 0.2915 0.121 Uiso 1 1 calc R U . . .
H20C H 0.0060 1.5651 0.1924 0.121 Uiso 1 1 calc R U . . .
C21 C 0.3590(7) 1.4184(5) 0.2756(5) 0.0478(16) Uani 1 1 d . . . . .
H21 H 0.3401 1.5001 0.2656 0.057 Uiso 1 1 calc R U . . .
C22 C 0.3102(9) 1.3644(7) 0.3760(6) 0.073(2) Uani 1 1 d . . . . .
H22A H 0.2069 1.3819 0.3948 0.109 Uiso 1 1 calc R U . . .
H22B H 0.3609 1.3924 0.4091 0.109 Uiso 1 1 calc R U . . .
H22C H 0.3315 1.2842 0.3886 0.109 Uiso 1 1 calc R U . . .
C23 C 0.5208(8) 1.3936(8) 0.2437(7) 0.088(3) Uani 1 1 d . . . . .
H23A H 0.5497 1.4295 0.1791 0.132 Uiso 1 1 calc R U . . .
H23B H 0.5439 1.3137 0.2553 0.132 Uiso 1 1 calc R U . . .
H23C H 0.5721 1.4218 0.2763 0.132 Uiso 1 1 calc R U . . .
C24 C 0.3117(7) 1.4608(5) 0.0860(5) 0.0502(16) Uani 1 1 d . . . . .
H24 H 0.4119 1.4308 0.0646 0.060 Uiso 1 1 calc R U . . .
C25 C 0.2248(12) 1.4478(7) 0.0232(5) 0.090(3) Uani 1 1 d . . . . .
H25A H 0.2211 1.3691 0.0310 0.135 Uiso 1 1 calc R U . . .
H25B H 0.2703 1.4834 -0.0392 0.135 Uiso 1 1 calc R U . . .
H25C H 0.1273 1.4824 0.0376 0.135 Uiso 1 1 calc R U . . .
C26 C 0.3196(9) 1.5850(5) 0.0741(6) 0.071(2) Uani 1 1 d . . . . .
H26A H 0.3764 1.5923 0.1142 0.106 Uiso 1 1 calc R U . . .
H26B H 0.2227 1.6203 0.0890 0.106 Uiso 1 1 calc R U . . .
H26C H 0.3648 1.6207 0.0117 0.106 Uiso 1 1 calc R U . . .
C27 C 0.0593(8) 0.9398(5) 0.1460(5) 0.0534(18) Uani 1 1 d . . . . .
C28 C -0.0623(7) 1.0083(7) 0.1774(5) 0.0569(19) Uani 1 1 d . . . . .
C29 C -0.0496(10) 1.1137(6) 0.1166(8) 0.077(3) Uani 1 1 d . . . . .
C30 C 0.0736(12) 1.1137(8) 0.0554(6) 0.081(3) Uani 1 1 d . . . . .
C31 C 0.1408(8) 1.0083(9) 0.0707(6) 0.073(3) Uani 1 1 d D . . . .
C32A C 0.115(4) 0.823(3) 0.161(2) 0.069(8) Uani 0.39(2) 1 d . U P A 1
H32A H 0.0543 0.7781 0.2150 0.103 Uiso 0.39(2) 1 calc R U P A 1
H32B H 0.2131 0.8144 0.1698 0.103 Uiso 0.39(2) 1 calc R U P A 1
H32C H 0.1147 0.7986 0.1091 0.103 Uiso 0.39(2) 1 calc R U P A 1
C33A C -0.201(4) 1.013(4) 0.243(2) 0.096(11) Uani 0.39(2) 1 d . U P A 1
H33A H -0.2145 0.9408 0.2865 0.144 Uiso 0.39(2) 1 calc R U P A 1
H33B H -0.2793 1.0346 0.2106 0.144 Uiso 0.39(2) 1 calc R U P A 1
H33C H -0.2012 1.0682 0.2740 0.144 Uiso 0.39(2) 1 calc R U P A 1
C34A C -0.192(2) 1.196(2) 0.1508(18) 0.055(6) Uani 0.39(2) 1 d . U P A 1
H34A H -0.2567 1.1524 0.2028 0.083 Uiso 0.39(2) 1 calc R U P A 1
H34B H -0.2420 1.2303 0.1019 0.083 Uiso 0.39(2) 1 calc R U P A 1
H34C H -0.1593 1.2539 0.1677 0.083 Uiso 0.39(2) 1 calc R U P A 1
C35A C 0.179(4) 1.169(3) -0.0396(14) 0.085(8) Uani 0.39(2) 1 d . U P A 1
H35A H 0.2674 1.1206 -0.0481 0.127 Uiso 0.39(2) 1 calc R U P A 1
H35B H 0.2028 1.2408 -0.0390 0.127 Uiso 0.39(2) 1 calc R U P A 1
H35C H 0.1313 1.1802 -0.0889 0.127 Uiso 0.39(2) 1 calc R U P A 1
C36A C 0.278(2) 1.004(2) -0.0065(14) 0.054(6) Uani 0.39(2) 1 d D U P A 1
H36A H 0.3259 0.9291 0.0047 0.081 Uiso 0.39(2) 1 calc R U P A 1
H36B H 0.3441 1.0556 -0.0078 0.081 Uiso 0.39(2) 1 calc R U P A 1
H36C H 0.2502 1.0252 -0.0645 0.081 Uiso 0.39(2) 1 calc R U P A 1
C32B C 0.063(3) 0.8133(18) 0.1973(16) 0.086(6) Uani 0.61(2) 1 d . U P A 2
H32D H -0.0181 0.8004 0.2495 0.128 Uiso 0.61(2) 1 calc R U P A 2
H32E H 0.1527 0.7890 0.2174 0.128 Uiso 0.61(2) 1 calc R U P A 2
H32F H 0.0551 0.7716 0.1569 0.128 Uiso 0.61(2) 1 calc R U P A 2
C33B C -0.1779(17) 0.9549(16) 0.2589(13) 0.072(5) Uani 0.61(2) 1 d . U P A 2
H33D H -0.1460 0.8774 0.2841 0.107 Uiso 0.61(2) 1 calc R U P A 2
H33E H -0.2674 0.9594 0.2398 0.107 Uiso 0.61(2) 1 calc R U P A 2
H33F H -0.1938 0.9942 0.3047 0.107 Uiso 0.61(2) 1 calc R U P A 2
C34B C -0.142(3) 1.2192(17) 0.0945(18) 0.107(7) Uani 0.61(2) 1 d . U P A 2
H34D H -0.2301 1.2158 0.1411 0.160 Uiso 0.61(2) 1 calc R U P A 2
H34E H -0.1650 1.2305 0.0362 0.160 Uiso 0.61(2) 1 calc R U P A 2
H34F H -0.0902 1.2807 0.0916 0.160 Uiso 0.61(2) 1 calc R U P A 2
C35B C 0.092(3) 1.2258(16) -0.0197(13) 0.095(7) Uani 0.61(2) 1 d . U P A 2
H35D H 0.1840 1.2207 -0.0625 0.142 Uiso 0.61(2) 1 calc R U P A 2
H35E H 0.0913 1.2849 0.0075 0.142 Uiso 0.61(2) 1 calc R U P A 2
H35F H 0.0139 1.2422 -0.0513 0.142 Uiso 0.61(2) 1 calc R U P A 2
C36B C 0.275(2) 0.941(3) 0.0252(16) 0.115(8) Uani 0.61(2) 1 d . U P A 2
H36D H 0.2803 0.8639 0.0627 0.172 Uiso 0.61(2) 1 calc R U P A 2
H36E H 0.3625 0.9737 0.0190 0.172 Uiso 0.61(2) 1 calc R U P A 2
H36F H 0.2641 0.9422 -0.0344 0.172 Uiso 0.61(2) 1 calc R U P A 2
Si1 Si 0.34118(17) 0.80072(11) 0.38432(11) 0.0382(4) Uani 1 1 d . . . . .
Si2 Si 0.25451(16) 1.37868(11) 0.20714(11) 0.0341(3) Uani 1 1 d . . . . .
Dy1 Dy 0.15629(3) 1.07735(3) 0.20555(2) 0.03135(11) 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(7) . ?
C1 C5 1.436(8) . ?
C1 Si1 1.873(5) . ?
C1 Dy1 2.621(5) . ?
C2 C3 1.393(8) . ?
C2 Dy1 2.740(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.436(8) . ?
C3 Dy1 2.607(6) . ?
C3 H3 0.9500 . ?
C4 C8 1.440(7) . ?
C4 C5 1.440(7) . ?
C4 Dy1 2.358(5) . ?
C5 C6 1.445(8) . ?
C5 Dy1 2.371(5) . ?
C6 C7 1.397(7) . ?
C6 Dy1 2.600(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.426(8) . ?
C7 Dy1 2.731(5) . ?
C7 H7 0.9500 . ?
C8 Si2 1.864(5) . ?
C8 Dy1 2.640(5) . ?
C9 C10 1.504(10) . ?
C9 C11 1.532(9) . ?
C9 Si1 1.895(7) . ?
C9 H9 1.0000 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C14 1.500(10) . ?
C12 C13 1.541(10) . ?
C12 Si1 1.903(7) . ?
C12 H12 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C17 1.535(9) . ?
C15 C16 1.538(10) . ?
C15 Si1 1.886(7) . ?
C15 H15 1.0000 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.524(9) . ?
C18 C20 1.540(9) . ?
C18 Si2 1.884(6) . ?
C18 H18 1.0000 . ?
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 C22 1.522(10) . ?
C21 C23 1.534(10) . ?
C21 Si2 1.890(6) . ?
C21 H21 1.0000 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.529(11) . ?
C24 C26 1.552(9) . ?
C24 Si2 1.885(7) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C31 1.389(11) . ?
C27 C28 1.431(10) . ?
C27 C32A 1.47(3) . ?
C27 C32B 1.57(2) . ?
C27 Dy1 2.631(6) . ?
C28 C29 1.401(12) . ?
C28 C33A 1.48(4) . ?
C28 C33B 1.540(17) . ?
C28 Dy1 2.611(6) . ?
C29 C30 1.338(13) . ?
C29 C34B 1.490(18) . ?
C29 C34A 1.68(2) . ?
C29 Dy1 2.644(7) . ?
C30 C31 1.377(13) . ?
C30 C35B 1.563(17) . ?
C30 C35A 1.62(2) . ?
C30 Dy1 2.614(7) . ?
C31 C36B 1.59(2) . ?
C31 C36A 1.577(15) . ?
C31 Dy1 2.621(7) . ?
C32A H32A 0.9800 . ?
C32A H32B 0.9800 . ?
C32A H32C 0.9800 . ?
C33A H33A 0.9800 . ?
C33A H33B 0.9800 . ?
C33A H33C 0.9800 . ?
C34A H34A 0.9800 . ?
C34A H34B 0.9800 . ?
C34A H34C 0.9800 . ?
C35A H35A 0.9800 . ?
C35A H35B 0.9800 . ?
C35A H35C 0.9800 . ?
C36A H36A 0.9800 . ?
C36A H36B 0.9800 . ?
C36A H36C 0.9800 . ?
C32B H32D 0.9800 . ?
C32B H32E 0.9800 . ?
C32B H32F 0.9800 . ?
C33B H33D 0.9800 . ?
C33B H33E 0.9800 . ?
C33B H33F 0.9800 . ?
C34B H34D 0.9800 . ?
C34B H34E 0.9800 . ?
C34B H34F 0.9800 . ?
C35B H35D 0.9800 . ?
C35B H35E 0.9800 . ?
C35B H35F 0.9800 . ?
C36B H36D 0.9800 . ?
C36B H36E 0.9800 . ?
C36B H36F 0.9800 . ?

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 C5 103.7(4) . . ?
C2 C1 Si1 123.9(4) . . ?
C5 C1 Si1 125.3(4) . . ?
C2 C1 Dy1 79.1(3) . . ?
C5 C1 Dy1 63.9(3) . . ?
Si1 C1 Dy1 143.5(3) . . ?
C3 C2 C1 111.9(5) . . ?
C3 C2 Dy1 69.7(3) . . ?
C1 C2 Dy1 69.9(3) . . ?
C3 C2 H2 124.1 . . ?
C1 C2 H2 124.1 . . ?
Dy1 C2 H2 128.1 . . ?
C2 C3 C4 107.6(5) . . ?
C2 C3 Dy1 80.3(3) . . ?
C4 C3 Dy1 63.9(3) . . ?
C2 C3 H3 126.2 . . ?
C4 C3 H3 126.2 . . ?
Dy1 C3 H3 121.1 . . ?
C3 C4 C8 135.0(5) . . ?
C3 C4 C5 106.2(5) . . ?
C8 C4 C5 110.8(5) . . ?
C3 C4 Dy1 83.0(3) . . ?
C8 C4 Dy1 84.4(3) . . ?
C5 C4 Dy1 72.7(3) . . ?
C6 C5 C1 134.5(5) . . ?
C6 C5 C4 105.1(5) . . ?
C1 C5 C4 110.5(5) . . ?
C6 C5 Dy1 82.0(3) . . ?
C1 C5 Dy1 83.1(3) . . ?
C4 C5 Dy1 71.8(3) . . ?
C7 C6 C5 108.5(5) . . ?
C7 C6 Dy1 80.1(3) . . ?
C5 C6 Dy1 64.6(3) . . ?
C7 C6 H6 125.8 . . ?
C5 C6 H6 125.8 . . ?
Dy1 C6 H6 121.0 . . ?
C6 C7 C8 111.2(5) . . ?
C6 C7 Dy1 69.7(3) . . ?
C8 C7 Dy1 71.1(3) . . ?
C6 C7 H7 124.4 . . ?
C8 C7 H7 124.4 . . ?
Dy1 C7 H7 126.5 . . ?
C7 C8 C4 104.4(4) . . ?
C7 C8 Si2 128.2(4) . . ?
C4 C8 Si2 126.2(4) . . ?
C7 C8 Dy1 78.2(3) . . ?
C4 C8 Dy1 62.8(3) . . ?
Si2 C8 Dy1 131.9(3) . . ?
C10 C9 C11 110.2(6) . . ?
C10 C9 Si1 113.7(5) . . ?
C11 C9 Si1 113.9(5) . . ?
C10 C9 H9 106.1 . . ?
C11 C9 H9 106.1 . . ?
Si1 C9 H9 106.1 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C14 C12 C13 108.7(7) . . ?
C14 C12 Si1 117.2(5) . . ?
C13 C12 Si1 112.3(6) . . ?
C14 C12 H12 105.9 . . ?
C13 C12 H12 105.9 . . ?
Si1 C12 H12 105.9 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C17 C15 C16 109.1(6) . . ?
C17 C15 Si1 112.6(5) . . ?
C16 C15 Si1 113.1(5) . . ?
C17 C15 H15 107.2 . . ?
C16 C15 H15 107.2 . . ?
Si1 C15 H15 107.2 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
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 . . ?
C19 C18 C20 110.8(6) . . ?
C19 C18 Si2 114.3(5) . . ?
C20 C18 Si2 113.9(5) . . ?
C19 C18 H18 105.6 . . ?
C20 C18 H18 105.6 . . ?
Si2 C18 H18 105.6 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C23 111.0(7) . . ?
C22 C21 Si2 112.3(5) . . ?
C23 C21 Si2 111.5(5) . . ?
C22 C21 H21 107.3 . . ?
C23 C21 H21 107.3 . . ?
Si2 C21 H21 107.3 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 C26 110.2(6) . . ?
C25 C24 Si2 114.7(5) . . ?
C26 C24 Si2 113.2(5) . . ?
C25 C24 H24 106.0 . . ?
C26 C24 H24 106.0 . . ?
Si2 C24 H24 106.0 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C31 C27 C28 106.1(7) . . ?
C31 C27 C32A 112.5(15) . . ?
C28 C27 C32A 140.9(15) . . ?
C31 C27 C32B 137.2(12) . . ?
C28 C27 C32B 116.5(11) . . ?
C31 C27 Dy1 74.3(4) . . ?
C28 C27 Dy1 73.4(3) . . ?
C32A C27 Dy1 122.5(13) . . ?
C32B C27 Dy1 120.4(10) . . ?
C29 C28 C27 106.3(7) . . ?
C29 C28 C33A 106.8(18) . . ?
C27 C28 C33A 146.6(18) . . ?
C29 C28 C33B 134.6(11) . . ?
C27 C28 C33B 118.8(10) . . ?
C29 C28 Dy1 75.9(4) . . ?
C27 C28 Dy1 74.9(3) . . ?
C33A C28 Dy1 117.4(14) . . ?
C33B C28 Dy1 118.8(8) . . ?
C30 C29 C28 109.4(7) . . ?
C30 C29 C34B 112.2(15) . . ?
C28 C29 C34B 137.7(15) . . ?
C30 C29 C34A 142.8(13) . . ?
C28 C29 C34A 107.6(12) . . ?
C30 C29 Dy1 74.0(4) . . ?
C28 C29 Dy1 73.2(4) . . ?
C34B C29 Dy1 125.3(8) . . ?
C34A C29 Dy1 114.7(9) . . ?
C29 C30 C31 109.0(7) . . ?
C29 C30 C35B 113.2(14) . . ?
C31 C30 C35B 137.1(15) . . ?
C29 C30 C35A 151.8(17) . . ?
C31 C30 C35A 98.0(17) . . ?
C29 C30 Dy1 76.5(5) . . ?
C31 C30 Dy1 75.0(4) . . ?
C35B C30 Dy1 121.6(7) . . ?
C35A C30 Dy1 119.5(10) . . ?
C30 C31 C27 109.0(7) . . ?
C30 C31 C36B 139.5(14) . . ?
C27 C31 C36B 111.2(14) . . ?
C30 C31 C36A 109.7(13) . . ?
C27 C31 C36A 141.1(13) . . ?
C30 C31 Dy1 74.5(5) . . ?
C27 C31 Dy1 75.1(4) . . ?
C36B C31 Dy1 120.0(9) . . ?
C36A C31 Dy1 119.3(9) . . ?
C27 C32A H32A 109.5 . . ?
C27 C32A H32B 109.5 . . ?
H32A C32A H32B 109.5 . . ?
C27 C32A H32C 109.5 . . ?
H32A C32A H32C 109.5 . . ?
H32B C32A H32C 109.5 . . ?
C28 C33A H33A 109.5 . . ?
C28 C33A H33B 109.5 . . ?
H33A C33A H33B 109.5 . . ?
C28 C33A H33C 109.5 . . ?
H33A C33A H33C 109.5 . . ?
H33B C33A H33C 109.5 . . ?
C29 C34A H34A 109.5 . . ?
C29 C34A H34B 109.5 . . ?
H34A C34A H34B 109.5 . . ?
C29 C34A H34C 109.5 . . ?
H34A C34A H34C 109.5 . . ?
H34B C34A H34C 109.5 . . ?
C30 C35A H35A 109.5 . . ?
C30 C35A H35B 109.5 . . ?
H35A C35A H35B 109.5 . . ?
C30 C35A H35C 109.5 . . ?
H35A C35A H35C 109.5 . . ?
H35B C35A H35C 109.5 . . ?
C31 C36A H36A 109.5 . . ?
C31 C36A H36B 109.5 . . ?
H36A C36A H36B 109.5 . . ?
C31 C36A H36C 109.5 . . ?
H36A C36A H36C 109.5 . . ?
H36B C36A H36C 109.5 . . ?
C27 C32B H32D 109.5 . . ?
C27 C32B H32E 109.5 . . ?
H32D C32B H32E 109.5 . . ?
C27 C32B H32F 109.5 . . ?
H32D C32B H32F 109.5 . . ?
H32E C32B H32F 109.5 . . ?
C28 C33B H33D 109.5 . . ?
C28 C33B H33E 109.5 . . ?
H33D C33B H33E 109.5 . . ?
C28 C33B H33F 109.5 . . ?
H33D C33B H33F 109.5 . . ?
H33E C33B H33F 109.5 . . ?
C29 C34B H34D 109.5 . . ?
C29 C34B H34E 109.5 . . ?
H34D C34B H34E 109.5 . . ?
C29 C34B H34F 109.5 . . ?
H34D C34B H34F 109.5 . . ?
H34E C34B H34F 109.5 . . ?
C30 C35B H35D 109.5 . . ?
C30 C35B H35E 109.5 . . ?
H35D C35B H35E 109.5 . . ?
C30 C35B H35F 109.5 . . ?
H35D C35B H35F 109.5 . . ?
H35E C35B H35F 109.5 . . ?
C31 C36B H36D 109.5 . . ?
C31 C36B H36E 109.5 . . ?
H36D C36B H36E 109.5 . . ?
C31 C36B H36F 109.5 . . ?
H36D C36B H36F 109.5 . . ?
H36E C36B H36F 109.5 . . ?
C1 Si1 C15 106.5(3) . . ?
C1 Si1 C9 108.6(3) . . ?
C15 Si1 C9 107.6(3) . . ?
C1 Si1 C12 114.5(3) . . ?
C15 Si1 C12 111.0(3) . . ?
C9 Si1 C12 108.5(3) . . ?
C8 Si2 C18 108.7(3) . . ?
C8 Si2 C24 109.3(3) . . ?
C18 Si2 C24 114.8(3) . . ?
C8 Si2 C21 107.9(3) . . ?
C18 Si2 C21 107.7(3) . . ?
C24 Si2 C21 108.3(3) . . ?
C4 Dy1 C5 35.46(17) . . ?
C4 Dy1 C6 54.78(19) . . ?
C5 Dy1 C6 33.4(2) . . ?
C4 Dy1 C28 150.8(2) . . ?
C5 Dy1 C28 147.1(2) . . ?
C6 Dy1 C28 150.4(2) . . ?
C4 Dy1 C30 149.5(2) . . ?
C5 Dy1 C30 150.1(3) . . ?
C6 Dy1 C30 117.2(3) . . ?
C28 Dy1 C30 50.7(2) . . ?
C4 Dy1 C3 33.14(19) . . ?
C5 Dy1 C3 54.8(2) . . ?
C6 Dy1 C3 84.3(2) . . ?
C28 Dy1 C3 117.9(2) . . ?
C30 Dy1 C3 152.4(3) . . ?
C4 Dy1 C27 159.0(2) . . ?
C5 Dy1 C27 126.76(19) . . ?
C6 Dy1 C27 118.7(2) . . ?
C28 Dy1 C27 31.7(2) . . ?
C30 Dy1 C27 50.9(2) . . ?
C3 Dy1 C27 135.8(2) . . ?
C4 Dy1 C31 157.9(2) . . ?
C5 Dy1 C31 128.6(2) . . ?
C6 Dy1 C31 103.7(2) . . ?
C28 Dy1 C31 51.0(2) . . ?
C30 Dy1 C31 30.5(3) . . ?
C3 Dy1 C31 166.5(2) . . ?
C27 Dy1 C31 30.7(3) . . ?
C4 Dy1 C1 56.39(17) . . ?
C5 Dy1 C1 32.96(18) . . ?
C6 Dy1 C1 61.20(17) . . ?
C28 Dy1 C1 114.6(2) . . ?
C30 Dy1 C1 151.1(3) . . ?
C3 Dy1 C1 53.30(17) . . ?
C27 Dy1 C1 102.64(19) . . ?
C31 Dy1 C1 120.8(3) . . ?
C4 Dy1 C8 32.88(17) . . ?
C5 Dy1 C8 56.19(17) . . ?
C6 Dy1 C8 52.79(17) . . ?
C28 Dy1 C8 154.2(2) . . ?
C30 Dy1 C8 116.9(2) . . ?
C3 Dy1 C8 60.84(18) . . ?
C27 Dy1 C8 163.1(2) . . ?
C31 Dy1 C8 132.7(2) . . ?
C1 Dy1 C8 85.89(17) . . ?
C4 Dy1 C29 146.7(2) . . ?
C5 Dy1 C29 177.7(2) . . ?
C6 Dy1 C29 146.6(3) . . ?
C28 Dy1 C29 30.9(3) . . ?
C30 Dy1 C29 29.5(3) . . ?
C3 Dy1 C29 126.4(3) . . ?
C27 Dy1 C29 50.9(2) . . ?
C31 Dy1 C29 49.7(3) . . ?
C1 Dy1 C29 145.4(3) . . ?
C8 Dy1 C29 126.1(2) . . ?
C4 Dy1 C7 52.21(19) . . ?
C5 Dy1 C7 53.19(19) . . ?
C6 Dy1 C7 30.27(16) . . ?
C28 Dy1 C7 155.2(2) . . ?
C30 Dy1 C7 104.7(2) . . ?
C3 Dy1 C7 85.17(19) . . ?
C27 Dy1 C7 134.2(2) . . ?
C31 Dy1 C7 107.3(2) . . ?
C1 Dy1 C7 85.87(17) . . ?
C8 Dy1 C7 30.73(16) . . ?
C29 Dy1 C7 128.2(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
C5 C1 C2 C3 2.5(7) . . . . ?
Si1 C1 C2 C3 154.1(5) . . . . ?
Dy1 C1 C2 C3 -56.9(5) . . . . ?
C5 C1 C2 Dy1 59.5(3) . . . . ?
Si1 C1 C2 Dy1 -148.9(4) . . . . ?
C1 C2 C3 C4 -1.4(7) . . . . ?
Dy1 C2 C3 C4 -58.5(4) . . . . ?
C1 C2 C3 Dy1 57.1(4) . . . . ?
C2 C3 C4 C8 144.1(6) . . . . ?
Dy1 C3 C4 C8 74.7(6) . . . . ?
C2 C3 C4 C5 -0.4(7) . . . . ?
Dy1 C3 C4 C5 -69.7(4) . . . . ?
C2 C3 C4 Dy1 69.3(5) . . . . ?
C2 C1 C5 C6 -142.0(6) . . . . ?
Si1 C1 C5 C6 66.9(8) . . . . ?
Dy1 C1 C5 C6 -71.7(6) . . . . ?
C2 C1 C5 C4 -2.7(6) . . . . ?
Si1 C1 C5 C4 -153.8(4) . . . . ?
Dy1 C1 C5 C4 67.6(4) . . . . ?
C2 C1 C5 Dy1 -70.3(4) . . . . ?
Si1 C1 C5 Dy1 138.6(4) . . . . ?
C3 C4 C5 C6 153.2(5) . . . . ?
C8 C4 C5 C6 -0.7(6) . . . . ?
Dy1 C4 C5 C6 76.1(4) . . . . ?
C3 C4 C5 C1 2.0(6) . . . . ?
C8 C4 C5 C1 -151.9(5) . . . . ?
Dy1 C4 C5 C1 -75.1(4) . . . . ?
C3 C4 C5 Dy1 77.1(4) . . . . ?
C8 C4 C5 Dy1 -76.8(4) . . . . ?
C1 C5 C6 C7 141.0(6) . . . . ?
C4 C5 C6 C7 0.3(6) . . . . ?
Dy1 C5 C6 C7 68.9(4) . . . . ?
C1 C5 C6 Dy1 72.1(6) . . . . ?
C4 C5 C6 Dy1 -68.6(4) . . . . ?
C5 C6 C7 C8 0.3(7) . . . . ?
Dy1 C6 C7 C8 59.1(4) . . . . ?
C5 C6 C7 Dy1 -58.8(4) . . . . ?
C6 C7 C8 C4 -0.7(6) . . . . ?
Dy1 C7 C8 C4 57.5(3) . . . . ?
C6 C7 C8 Si2 167.1(4) . . . . ?
Dy1 C7 C8 Si2 -134.6(5) . . . . ?
C6 C7 C8 Dy1 -58.2(4) . . . . ?
C3 C4 C8 C7 -142.5(6) . . . . ?
C5 C4 C8 C7 0.8(6) . . . . ?
Dy1 C4 C8 C7 -68.3(4) . . . . ?
C3 C4 C8 Si2 49.4(9) . . . . ?
C5 C4 C8 Si2 -167.3(4) . . . . ?
Dy1 C4 C8 Si2 123.6(4) . . . . ?
C3 C4 C8 Dy1 -74.2(6) . . . . ?
C5 C4 C8 Dy1 69.1(4) . . . . ?
C31 C27 C28 C29 2.4(7) . . . . ?
C32A C27 C28 C29 -169(2) . . . . ?
C32B C27 C28 C29 -173.8(11) . . . . ?
Dy1 C27 C28 C29 70.0(5) . . . . ?
C31 C27 C28 C33A 175(2) . . . . ?
C32A C27 C28 C33A 4(4) . . . . ?
C32B C27 C28 C33A -1(3) . . . . ?
Dy1 C27 C28 C33A -117(2) . . . . ?
C31 C27 C28 C33B 177.5(10) . . . . ?
C32A C27 C28 C33B 6(3) . . . . ?
C32B C27 C28 C33B 1.3(15) . . . . ?
Dy1 C27 C28 C33B -114.9(10) . . . . ?
C31 C27 C28 Dy1 -67.6(5) . . . . ?
C32A C27 C28 Dy1 121(2) . . . . ?
C32B C27 C28 Dy1 116.2(11) . . . . ?
C27 C28 C29 C30 -3.6(8) . . . . ?
C33A C28 C29 C30 -179.5(14) . . . . ?
C33B C28 C29 C30 -177.6(12) . . . . ?
Dy1 C28 C29 C30 65.7(6) . . . . ?
C27 C28 C29 C34B 166.2(13) . . . . ?
C33A C28 C29 C34B -10(2) . . . . ?
C33B C28 C29 C34B -8(2) . . . . ?
Dy1 C28 C29 C34B -124.4(14) . . . . ?
C27 C28 C29 C34A 179.5(9) . . . . ?
C33A C28 C29 C34A 3.6(16) . . . . ?
C33B C28 C29 C34A 5.5(17) . . . . ?
Dy1 C28 C29 C34A -111.2(9) . . . . ?
C27 C28 C29 Dy1 -69.3(4) . . . . ?
C33A C28 C29 Dy1 114.8(14) . . . . ?
C33B C28 C29 Dy1 116.7(13) . . . . ?
C28 C29 C30 C31 3.4(9) . . . . ?
C34B C29 C30 C31 -169.2(9) . . . . ?
C34A C29 C30 C31 178.6(15) . . . . ?
Dy1 C29 C30 C31 68.7(5) . . . . ?
C28 C29 C30 C35B 175.8(8) . . . . ?
C34B C29 C30 C35B 3.2(13) . . . . ?
C34A C29 C30 C35B -9(2) . . . . ?
Dy1 C29 C30 C35B -119.0(8) . . . . ?
C28 C29 C30 C35A 166(2) . . . . ?
C34B C29 C30 C35A -6(3) . . . . ?
C34A C29 C30 C35A -19(3) . . . . ?
Dy1 C29 C30 C35A -129(2) . . . . ?
C28 C29 C30 Dy1 -65.2(6) . . . . ?
C34B C29 C30 Dy1 122.2(9) . . . . ?
C34A C29 C30 Dy1 110.0(16) . . . . ?
C29 C30 C31 C27 -1.9(9) . . . . ?
C35B C30 C31 C27 -171.6(11) . . . . ?
C35A C30 C31 C27 -173.7(10) . . . . ?
Dy1 C30 C31 C27 67.7(5) . . . . ?
C29 C30 C31 C36B 172.1(14) . . . . ?
C35B C30 C31 C36B 2(2) . . . . ?
C35A C30 C31 C36B 0.3(19) . . . . ?
Dy1 C30 C31 C36B -118.2(15) . . . . ?
C29 C30 C31 C36A 174.3(10) . . . . ?
C35B C30 C31 C36A 4.5(16) . . . . ?
C35A C30 C31 C36A 2.4(14) . . . . ?
Dy1 C30 C31 C36A -116.1(10) . . . . ?
C29 C30 C31 Dy1 -69.6(6) . . . . ?
C35B C30 C31 Dy1 120.7(12) . . . . ?
C35A C30 C31 Dy1 118.5(10) . . . . ?
C28 C27 C31 C30 -0.4(8) . . . . ?
C32A C27 C31 C30 173.5(15) . . . . ?
C32B C27 C31 C30 174.6(15) . . . . ?
Dy1 C27 C31 C30 -67.4(5) . . . . ?
C28 C27 C31 C36B -176.2(10) . . . . ?
C32A C27 C31 C36B -2.3(18) . . . . ?
C32B C27 C31 C36B -1.2(19) . . . . ?
Dy1 C27 C31 C36B 116.8(10) . . . . ?
C28 C27 C31 C36A -174.6(15) . . . . ?
C32A C27 C31 C36A -1(2) . . . . ?
C32B C27 C31 C36A 0(2) . . . . ?
Dy1 C27 C31 C36A 118.4(16) . . . . ?
C28 C27 C31 Dy1 67.0(4) . . . . ?
C32A C27 C31 Dy1 -119.1(15) . . . . ?
C32B C27 C31 Dy1 -118.0(15) . . . . ?
C2 C1 Si1 C15 -68.1(5) . . . . ?
C5 C1 Si1 C15 77.4(5) . . . . ?
Dy1 C1 Si1 C15 170.3(4) . . . . ?
C2 C1 Si1 C9 176.3(5) . . . . ?
C5 C1 Si1 C9 -38.1(6) . . . . ?
Dy1 C1 Si1 C9 54.8(5) . . . . ?
C2 C1 Si1 C12 54.9(6) . . . . ?
C5 C1 Si1 C12 -159.6(5) . . . . ?
Dy1 C1 Si1 C12 -66.7(5) . . . . ?
C17 C15 Si1 C1 -65.9(6) . . . . ?
C16 C15 Si1 C1 58.3(6) . . . . ?
C17 C15 Si1 C9 50.3(6) . . . . ?
C16 C15 Si1 C9 174.6(5) . . . . ?
C17 C15 Si1 C12 168.9(5) . . . . ?
C16 C15 Si1 C12 -66.8(6) . . . . ?
C10 C9 Si1 C1 -64.5(5) . . . . ?
C11 C9 Si1 C1 168.1(6) . . . . ?
C10 C9 Si1 C15 -179.3(5) . . . . ?
C11 C9 Si1 C15 53.2(6) . . . . ?
C10 C9 Si1 C12 60.6(6) . . . . ?
C11 C9 Si1 C12 -66.9(6) . . . . ?
C7 C8 Si2 C18 146.9(5) . . . . ?
C4 C8 Si2 C18 -47.8(6) . . . . ?
Dy1 C8 Si2 C18 36.1(5) . . . . ?
C7 C8 Si2 C24 20.9(6) . . . . ?
C4 C8 Si2 C24 -173.8(5) . . . . ?
Dy1 C8 Si2 C24 -89.9(4) . . . . ?
C7 C8 Si2 C21 -96.6(6) . . . . ?
C4 C8 Si2 C21 68.7(6) . . . . ?
Dy1 C8 Si2 C21 152.6(4) . . . . ?
C19 C18 Si2 C8 -51.2(6) . . . . ?
C20 C18 Si2 C8 180.0(6) . . . . ?
C19 C18 Si2 C24 71.5(6) . . . . ?
C20 C18 Si2 C24 -57.3(7) . . . . ?
C19 C18 Si2 C21 -167.8(5) . . . . ?
C20 C18 Si2 C21 63.3(6) . . . . ?
C25 C24 Si2 C8 69.3(6) . . . . ?
C26 C24 Si2 C8 -163.1(5) . . . . ?
C25 C24 Si2 C18 -53.1(6) . . . . ?
C26 C24 Si2 C18 74.6(6) . . . . ?
C25 C24 Si2 C21 -173.5(5) . . . . ?
C26 C24 Si2 C21 -45.8(6) . . . . ?
C22 C21 Si2 C8 -67.3(5) . . . . ?
C23 C21 Si2 C8 58.0(6) . . . . ?
C22 C21 Si2 C18 49.9(5) . . . . ?
C23 C21 Si2 C18 175.1(5) . . . . ?
C22 C21 Si2 C24 174.6(5) . . . . ?
C23 C21 Si2 C24 -60.2(6) . . . . ?

_refine_diff_density_max         0.779
_refine_diff_density_min         -0.941
_refine_diff_density_rms         0.101

_shelxl_version_number           2013-3

_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# 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-Y
_database_code_depnum_ccdc_archive 'CCDC 1833614'
_audit_update_record             
;
2018-03-29 deposited with the CCDC.
2018-05-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            '[(Pn?)Y(Cp*)]'
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H61 Si2 Y'
_chemical_formula_sum            'C36 H61 Si2 Y'
_chemical_formula_weight         638.93

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -0.2670 2.0244 '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                   9.7114(4)
_cell_length_b                   12.7624(6)
_cell_length_c                   15.9778(8)
_cell_angle_alpha                72.103(4)
_cell_angle_beta                 75.026(4)
_cell_angle_gamma                80.722(4)
_cell_volume                     1813.26(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    6288
_cell_measurement_theta_min      4.0400
_cell_measurement_theta_max      71.1520

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.170
_exptl_crystal_F_000             688
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.700
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    3.035
_shelx_estimated_absorpt_T_min   0.195
_shelx_estimated_absorpt_T_max   0.751
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.52780
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.1033
_diffrn_reflns_number            10861
_diffrn_reflns_av_unetI/netI     0.0541
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         4.022
_diffrn_reflns_theta_max         71.603
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measured_fraction_theta_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_point_group_measured_fraction_full 0.983
_reflns_number_total             6770
_reflns_number_gt                6341
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_solution    
;
SUPERFLIP (Platinus & Chapuis, 2007)
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 2012)'
_computing_publication_material  
;
SHELXL-2013 (Sheldrick, 2013), PLATON (Spek, 2003), WinGX (Farrugia, 2013)
;

_refine_special_details          
;
Atoms of the C5Me5 ligand C27 > C36 were positionally disordered over two sites.
The disorder was modelled adequately by splitting the Me groups C32 > C36 over 
two positions, with EADP constraints applied to give the thermal parameters 
more reasonable values.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1186P)²+1.6654P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6770
_refine_ls_number_parameters     344
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0598
_refine_ls_R_factor_gt           0.0571
_refine_ls_wR_factor_ref         0.1536
_refine_ls_wR_factor_gt          0.1496
_refine_ls_goodness_of_fit_ref   0.937
_refine_ls_restrained_S_all      0.937
_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 0.7981(3) 0.7299(3) 0.2161(2) 0.0318(6) Uani 1 1 d . . . . .
C2 C 0.9052(4) 0.6796(3) 0.1566(2) 0.0362(7) Uani 1 1 d . . . . .
H2 H 0.9531 0.7185 0.0981 0.043 Uiso 1 1 calc R U . . .
C3 C 0.9308(3) 0.5659(3) 0.1953(3) 0.0379(7) Uani 1 1 d . . . . .
H3 H 0.9952 0.5158 0.1673 0.045 Uiso 1 1 calc R U . . .
C4 C 0.8427(3) 0.5386(3) 0.2848(2) 0.0320(6) Uani 1 1 d . . . . .
C5 C 0.7616(4) 0.6398(3) 0.2976(2) 0.0327(6) Uani 1 1 d . . . . .
C6 C 0.6297(4) 0.6090(3) 0.3616(2) 0.0405(8) Uani 1 1 d . . . . .
H6 H 0.5538 0.6583 0.3825 0.049 Uiso 1 1 calc R U . . .
C7 C 0.6335(4) 0.4943(3) 0.3873(2) 0.0391(7) Uani 1 1 d . . . . .
H7 H 0.5599 0.4536 0.4306 0.047 Uiso 1 1 calc R U . . .
C8 C 0.7615(3) 0.4445(2) 0.3410(2) 0.0315(6) Uani 1 1 d . . . . .
C9 C 0.8608(4) 0.9195(3) 0.2744(3) 0.0486(9) Uani 1 1 d . . . . .
H9 H 0.8428 1.0014 0.2642 0.058 Uiso 1 1 calc R U . . .
C10 C 1.0209(6) 0.8935(6) 0.2420(6) 0.0857(19) Uani 1 1 d . . . . .
H10A H 1.0491 0.9279 0.1769 0.128 Uiso 1 1 calc R U . . .
H10B H 1.0432 0.8133 0.2547 0.128 Uiso 1 1 calc R U . . .
H10C H 1.0733 0.9228 0.2735 0.128 Uiso 1 1 calc R U . . .
C11 C 0.8126(7) 0.8660(5) 0.3760(4) 0.0700(14) Uani 1 1 d . . . . .
H11A H 0.7093 0.8831 0.3953 0.105 Uiso 1 1 calc R U . . .
H11B H 0.8632 0.8951 0.4086 0.105 Uiso 1 1 calc R U . . .
H11C H 0.8346 0.7857 0.3890 0.105 Uiso 1 1 calc R U . . .
C12 C 0.5586(4) 0.9030(3) 0.2604(3) 0.0416(8) Uani 1 1 d . . . . .
H12 H 0.5479 0.8613 0.3256 0.050 Uiso 1 1 calc R U . . .
C13 C 0.5096(5) 1.0241(4) 0.2588(4) 0.0714(15) Uani 1 1 d . . . . .
H13A H 0.5752 1.0524 0.2824 0.107 Uiso 1 1 calc R U . . .
H13B H 0.4127 1.0287 0.2963 0.107 Uiso 1 1 calc R U . . .
H13C H 0.5095 1.0684 0.1967 0.107 Uiso 1 1 calc R U . . .
C14 C 0.4580(5) 0.8552(5) 0.2256(4) 0.0636(12) Uani 1 1 d . . . . .
H14A H 0.4902 0.7775 0.2289 0.095 Uiso 1 1 calc R U . . .
H14B H 0.4581 0.8969 0.1629 0.095 Uiso 1 1 calc R U . . .
H14C H 0.3609 0.8604 0.2628 0.095 Uiso 1 1 calc R U . . .
C15 C 0.8095(5) 0.9619(3) 0.0843(3) 0.0514(9) Uani 1 1 d . . . . .
H15 H 0.9088 0.9309 0.0620 0.062 Uiso 1 1 calc R U . . .
C16 C 0.7213(9) 0.9488(6) 0.0238(4) 0.090(2) Uani 1 1 d . . . . .
H16A H 0.7153 0.8700 0.0328 0.135 Uiso 1 1 calc R U . . .
H16B H 0.7663 0.9828 -0.0393 0.135 Uiso 1 1 calc R U . . .
H16C H 0.6248 0.9850 0.0384 0.135 Uiso 1 1 calc R U . . .
C17 C 0.8202(6) 1.0840(4) 0.0722(4) 0.0699(14) Uani 1 1 d . . . . .
H17A H 0.8780 1.0907 0.1120 0.105 Uiso 1 1 calc R U . . .
H17B H 0.7241 1.1205 0.0874 0.105 Uiso 1 1 calc R U . . .
H17C H 0.8654 1.1190 0.0093 0.105 Uiso 1 1 calc R U . . .
C18 C 0.9138(5) 0.3008(3) 0.4833(3) 0.0476(8) Uani 1 1 d . . . . .
H18 H 0.9494 0.2228 0.5105 0.057 Uiso 1 1 calc R U . . .
C19 C 0.7979(7) 0.3372(5) 0.5571(3) 0.0694(13) Uani 1 1 d . . . . .
H19A H 0.7177 0.2913 0.5751 0.104 Uiso 1 1 calc R U . . .
H19B H 0.7642 0.4148 0.5338 0.104 Uiso 1 1 calc R U . . .
H19C H 0.8380 0.3286 0.6094 0.104 Uiso 1 1 calc R U . . .
C20 C 1.0416(6) 0.3712(4) 0.4544(4) 0.0654(13) Uani 1 1 d . . . . .
H20A H 1.1151 0.3464 0.4078 0.098 Uiso 1 1 calc R U . . .
H20B H 1.0815 0.3629 0.5067 0.098 Uiso 1 1 calc R U . . .
H20C H 1.0094 0.4490 0.4302 0.098 Uiso 1 1 calc R U . . .
C21 C 0.7137(5) 0.1902(3) 0.4160(3) 0.0531(10) Uani 1 1 d . . . . .
H21 H 0.7276 0.1629 0.3617 0.064 Uiso 1 1 calc R U . . .
C22 C 0.7531(8) 0.0897(4) 0.4920(4) 0.0819(17) Uani 1 1 d . . . . .
H22A H 0.8550 0.0654 0.4757 0.123 Uiso 1 1 calc R U . . .
H22B H 0.6959 0.0291 0.5004 0.123 Uiso 1 1 calc R U . . .
H22C H 0.7333 0.1107 0.5483 0.123 Uiso 1 1 calc R U . . .
C23 C 0.5551(6) 0.2262(4) 0.4413(4) 0.0693(14) Uani 1 1 d . . . . .
H23A H 0.5298 0.2904 0.3936 0.104 Uiso 1 1 calc R U . . .
H23B H 0.5341 0.2460 0.4982 0.104 Uiso 1 1 calc R U . . .
H23C H 0.4991 0.1654 0.4483 0.104 Uiso 1 1 calc R U . . .
C24 C 0.9998(4) 0.2709(3) 0.2937(3) 0.0482(9) Uani 1 1 d . . . . .
H24 H 1.0619 0.3331 0.2755 0.058 Uiso 1 1 calc R U . . .
C25 C 0.9567(6) 0.2701(4) 0.2087(3) 0.0593(11) Uani 1 1 d . . . . .
H25A H 0.8968 0.3382 0.1883 0.089 Uiso 1 1 calc R U . . .
H25B H 0.9028 0.2061 0.2219 0.089 Uiso 1 1 calc R U . . .
H25C H 1.0427 0.2655 0.1613 0.089 Uiso 1 1 calc R U . . .
C26 C 1.0934(7) 0.1646(5) 0.3274(5) 0.0793(16) Uani 1 1 d . . . . .
H26A H 1.1196 0.1661 0.3822 0.119 Uiso 1 1 calc R U . . .
H26B H 1.1804 0.1596 0.2807 0.119 Uiso 1 1 calc R U . . .
H26C H 1.0400 0.1003 0.3406 0.119 Uiso 1 1 calc R U . . .
C27 C 0.5583(5) 0.4409(4) 0.1465(3) 0.0548(10) Uani 1 1 d . . . . .
C28 C 0.6424(5) 0.5081(6) 0.0706(3) 0.0720(17) Uani 1 1 d . . . . .
C29 C 0.5781(8) 0.6136(6) 0.0524(4) 0.083(2) Uani 1 1 d . . . . .
C30 C 0.4531(7) 0.6147(4) 0.1175(5) 0.0739(18) Uani 1 1 d . . . . .
C31 C 0.4399(4) 0.5093(5) 0.1762(3) 0.0570(11) Uani 1 1 d . . . . .
C32A C 0.6017(14) 0.3214(12) 0.1680(9) 0.0692(9) Uani 0.515(7) 1 d . . P A 1
H32A H 0.5371 0.2831 0.2233 0.104 Uiso 0.515(7) 1 calc R U P A 1
H32B H 0.6998 0.3080 0.1768 0.104 Uiso 0.515(7) 1 calc R U P A 1
H32C H 0.5969 0.2936 0.1181 0.104 Uiso 0.515(7) 1 calc R U P A 1
C33A C 0.7716(12) 0.4975(11) -0.0037(8) 0.0692(9) Uani 0.515(7) 1 d . . P A 1
H33A H 0.8173 0.4219 0.0106 0.104 Uiso 0.515(7) 1 calc R U P A 1
H33B H 0.8397 0.5494 -0.0091 0.104 Uiso 0.515(7) 1 calc R U P A 1
H33C H 0.7416 0.5143 -0.0608 0.104 Uiso 0.515(7) 1 calc R U P A 1
C34A C 0.6680(13) 0.6839(10) -0.0391(8) 0.0692(9) Uani 0.515(7) 1 d . . P A 1
H34A H 0.6231 0.7598 -0.0537 0.104 Uiso 0.515(7) 1 calc R U P A 1
H34B H 0.6712 0.6510 -0.0876 0.104 Uiso 0.515(7) 1 calc R U P A 1
H34C H 0.7656 0.6846 -0.0329 0.104 Uiso 0.515(7) 1 calc R U P A 1
C35A C 0.3142(13) 0.6991(10) 0.1422(8) 0.0692(9) Uani 0.515(7) 1 d . . P A 1
H35A H 0.2507 0.6617 0.1985 0.104 Uiso 0.515(7) 1 calc R U P A 1
H35B H 0.2626 0.7222 0.0934 0.104 Uiso 0.515(7) 1 calc R U P A 1
H35C H 0.3457 0.7642 0.1497 0.104 Uiso 0.515(7) 1 calc R U P A 1
C36A C 0.3088(14) 0.4932(11) 0.2489(9) 0.0692(9) Uani 0.515(7) 1 d . . P A 1
H36A H 0.3111 0.4161 0.2858 0.104 Uiso 0.515(7) 1 calc R U P A 1
H36B H 0.2246 0.5110 0.2222 0.104 Uiso 0.515(7) 1 calc R U P A 1
H36C H 0.3036 0.5419 0.2868 0.104 Uiso 0.515(7) 1 calc R U P A 1
C32B C 0.5602(15) 0.3118(12) 0.1986(9) 0.0692(9) Uani 0.485(7) 1 d . . P A 2
H32D H 0.4811 0.2996 0.2519 0.104 Uiso 0.485(7) 1 calc R U P A 2
H32E H 0.6512 0.2864 0.2173 0.104 Uiso 0.485(7) 1 calc R U P A 2
H32F H 0.5496 0.2705 0.1584 0.104 Uiso 0.485(7) 1 calc R U P A 2
C33B C 0.7800(13) 0.4363(12) 0.0222(9) 0.0692(9) Uani 0.485(7) 1 d . . P A 2
H33D H 0.7878 0.3605 0.0613 0.104 Uiso 0.485(7) 1 calc R U P A 2
H33E H 0.8680 0.4708 0.0127 0.104 Uiso 0.485(7) 1 calc R U P A 2
H33F H 0.7659 0.4350 -0.0360 0.104 Uiso 0.485(7) 1 calc R U P A 2
C34B C 0.5947(14) 0.7252(11) -0.0215(8) 0.0692(9) Uani 0.485(7) 1 d . . P A 2
H34D H 0.5170 0.7795 -0.0050 0.104 Uiso 0.485(7) 1 calc R U P A 2
H34E H 0.5907 0.7153 -0.0792 0.104 Uiso 0.485(7) 1 calc R U P A 2
H34F H 0.6869 0.7516 -0.0271 0.104 Uiso 0.485(7) 1 calc R U P A 2
C35B C 0.3656(13) 0.7217(10) 0.0914(9) 0.0692(9) Uani 0.485(7) 1 d . . P A 2
H35D H 0.2774 0.7228 0.1379 0.104 Uiso 0.485(7) 1 calc R U P A 2
H35E H 0.3417 0.7299 0.0337 0.104 Uiso 0.485(7) 1 calc R U P A 2
H35F H 0.4203 0.7828 0.0856 0.104 Uiso 0.485(7) 1 calc R U P A 2
C36B C 0.3247(15) 0.4497(11) 0.2582(10) 0.0692(9) Uani 0.485(7) 1 d . . P A 2
H36D H 0.3597 0.3722 0.2810 0.104 Uiso 0.485(7) 1 calc R U P A 2
H36E H 0.2358 0.4533 0.2389 0.104 Uiso 0.485(7) 1 calc R U P A 2
H36F H 0.3065 0.4863 0.3062 0.104 Uiso 0.485(7) 1 calc R U P A 2
Si1 Si 0.75375(9) 0.87949(7) 0.20688(6) 0.0333(2) Uani 1 1 d . . . . .
Si2 Si 0.84248(10) 0.30130(7) 0.38360(6) 0.0367(2) Uani 1 1 d . . . . .
Y1 Y 0.65937(2) 0.57589(2) 0.20482(2) 0.02837(13) 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(5) . ?
C1 C5 1.455(4) . ?
C1 Si1 1.856(3) . ?
C1 Y1 2.628(3) . ?
C2 C3 1.401(5) . ?
C2 Y1 2.736(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.433(5) . ?
C3 Y1 2.586(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.443(4) . ?
C4 C8 1.466(4) . ?
C4 Y1 2.358(3) . ?
C5 C6 1.442(5) . ?
C5 Y1 2.369(3) . ?
C6 C7 1.391(5) . ?
C6 Y1 2.604(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.434(5) . ?
C7 Y1 2.737(3) . ?
C7 H7 0.9500 . ?
C8 Si2 1.863(3) . ?
C8 Y1 2.620(3) . ?
C9 C11 1.532(7) . ?
C9 C10 1.523(7) . ?
C9 Si1 1.896(4) . ?
C9 H9 1.0000 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C14 1.522(6) . ?
C12 C13 1.536(5) . ?
C12 Si1 1.884(4) . ?
C12 H12 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.508(8) . ?
C15 C17 1.527(6) . ?
C15 Si1 1.899(4) . ?
C15 H15 1.0000 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C20 1.539(6) . ?
C18 C19 1.533(7) . ?
C18 Si2 1.892(4) . ?
C18 H18 1.0000 . ?
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 C23 1.521(7) . ?
C21 C22 1.547(7) . ?
C21 Si2 1.905(4) . ?
C21 H21 1.0000 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.524(7) . ?
C24 C26 1.537(6) . ?
C24 Si2 1.889(4) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.396(8) . ?
C27 C31 1.400(7) . ?
C27 C32A 1.472(15) . ?
C27 C32B 1.600(15) . ?
C27 Y1 2.609(4) . ?
C28 C29 1.366(10) . ?
C28 C33A 1.509(12) . ?
C28 C33B 1.653(14) . ?
C28 Y1 2.596(4) . ?
C29 C30 1.381(10) . ?
C29 C34B 1.547(13) . ?
C29 C34A 1.578(12) . ?
C29 Y1 2.634(4) . ?
C30 C31 1.388(8) . ?
C30 C35B 1.489(13) . ?
C30 C35A 1.629(13) . ?
C30 Y1 2.628(4) . ?
C31 C36A 1.478(14) . ?
C31 C36B 1.566(15) . ?
C31 Y1 2.608(4) . ?
C32A H32A 0.9800 . ?
C32A H32B 0.9800 . ?
C32A H32C 0.9800 . ?
C33A H33A 0.9800 . ?
C33A H33B 0.9800 . ?
C33A H33C 0.9800 . ?
C34A H34A 0.9800 . ?
C34A H34B 0.9800 . ?
C34A H34C 0.9800 . ?
C35A H35A 0.9800 . ?
C35A H35B 0.9800 . ?
C35A H35C 0.9800 . ?
C36A H36A 0.9800 . ?
C36A H36B 0.9800 . ?
C36A H36C 0.9800 . ?
C32B H32D 0.9800 . ?
C32B H32E 0.9800 . ?
C32B H32F 0.9800 . ?
C33B H33D 0.9800 . ?
C33B H33E 0.9800 . ?
C33B H33F 0.9800 . ?
C34B H34D 0.9800 . ?
C34B H34E 0.9800 . ?
C34B H34F 0.9800 . ?
C35B H35D 0.9800 . ?
C35B H35E 0.9800 . ?
C35B H35F 0.9800 . ?
C36B H36D 0.9800 . ?
C36B H36E 0.9800 . ?
C36B H36F 0.9800 . ?

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 C5 104.1(3) . . ?
C2 C1 Si1 127.9(2) . . ?
C5 C1 Si1 125.8(2) . . ?
C2 C1 Y1 78.74(19) . . ?
C5 C1 Y1 63.50(16) . . ?
Si1 C1 Y1 133.67(16) . . ?
C3 C2 C1 111.7(3) . . ?
C3 C2 Y1 68.88(18) . . ?
C1 C2 Y1 70.41(18) . . ?
C3 C2 H2 124.1 . . ?
C1 C2 H2 124.1 . . ?
Y1 C2 H2 128.3 . . ?
C2 C3 C4 107.8(3) . . ?
C2 C3 Y1 80.8(2) . . ?
C4 C3 Y1 64.58(17) . . ?
C2 C3 H3 126.1 . . ?
C4 C3 H3 126.1 . . ?
Y1 C3 H3 120.0 . . ?
C3 C4 C5 106.7(3) . . ?
C3 C4 C8 134.5(3) . . ?
C5 C4 C8 109.4(3) . . ?
C3 C4 Y1 82.1(2) . . ?
C5 C4 Y1 72.66(17) . . ?
C8 C4 Y1 82.98(18) . . ?
C4 C5 C6 106.8(3) . . ?
C4 C5 C1 109.6(3) . . ?
C6 C5 C1 133.9(3) . . ?
C4 C5 Y1 71.79(17) . . ?
C6 C5 Y1 82.3(2) . . ?
C1 C5 Y1 83.16(18) . . ?
C7 C6 C5 107.8(3) . . ?
C7 C6 Y1 80.3(2) . . ?
C5 C6 Y1 64.40(17) . . ?
C7 C6 H6 126.1 . . ?
C5 C6 H6 126.1 . . ?
Y1 C6 H6 120.6 . . ?
C6 C7 C8 112.2(3) . . ?
C6 C7 Y1 69.65(19) . . ?
C8 C7 Y1 69.99(18) . . ?
C6 C7 H7 123.9 . . ?
C8 C7 H7 123.9 . . ?
Y1 C7 H7 128.2 . . ?
C7 C8 C4 103.9(3) . . ?
C7 C8 Si2 125.2(2) . . ?
C4 C8 Si2 124.7(2) . . ?
C7 C8 Y1 79.05(19) . . ?
C4 C8 Y1 63.29(16) . . ?
Si2 C8 Y1 142.37(16) . . ?
C11 C9 C10 110.8(5) . . ?
C11 C9 Si1 112.2(3) . . ?
C10 C9 Si1 111.6(4) . . ?
C11 C9 H9 107.3 . . ?
C10 C9 H9 107.3 . . ?
Si1 C9 H9 107.3 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C14 C12 C13 111.2(4) . . ?
C14 C12 Si1 114.2(3) . . ?
C13 C12 Si1 113.6(3) . . ?
C14 C12 H12 105.6 . . ?
C13 C12 H12 105.6 . . ?
Si1 C12 H12 105.6 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C17 110.8(4) . . ?
C16 C15 Si1 114.3(3) . . ?
C17 C15 Si1 113.3(3) . . ?
C16 C15 H15 105.9 . . ?
C17 C15 H15 105.9 . . ?
Si1 C15 H15 105.9 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
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 . . ?
C20 C18 C19 110.4(4) . . ?
C20 C18 Si2 111.8(3) . . ?
C19 C18 Si2 112.7(3) . . ?
C20 C18 H18 107.2 . . ?
C19 C18 H18 107.2 . . ?
Si2 C18 H18 107.2 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C23 C21 C22 109.1(4) . . ?
C23 C21 Si2 116.7(3) . . ?
C22 C21 Si2 111.2(4) . . ?
C23 C21 H21 106.4 . . ?
C22 C21 H21 106.4 . . ?
Si2 C21 H21 106.4 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 C26 110.5(4) . . ?
C25 C24 Si2 113.0(3) . . ?
C26 C24 Si2 113.6(3) . . ?
C25 C24 H24 106.4 . . ?
C26 C24 H24 106.4 . . ?
Si2 C24 H24 106.4 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C31 106.3(5) . . ?
C28 C27 C32A 116.7(7) . . ?
C31 C27 C32A 136.4(7) . . ?
C28 C27 C32B 136.4(7) . . ?
C31 C27 C32B 117.0(7) . . ?
C28 C27 Y1 73.9(2) . . ?
C31 C27 Y1 74.4(2) . . ?
C32A C27 Y1 122.9(5) . . ?
C32B C27 Y1 120.4(5) . . ?
C29 C28 C27 109.8(5) . . ?
C29 C28 C33A 110.3(8) . . ?
C27 C28 C33A 139.3(8) . . ?
C29 C28 C33B 137.8(7) . . ?
C27 C28 C33B 111.9(7) . . ?
C29 C28 Y1 76.4(3) . . ?
C27 C28 Y1 75.0(2) . . ?
C33A C28 Y1 121.5(5) . . ?
C33B C28 Y1 120.4(5) . . ?
C28 C29 C30 107.3(4) . . ?
C28 C29 C34B 139.8(8) . . ?
C30 C29 C34B 112.5(8) . . ?
C28 C29 C34A 108.2(8) . . ?
C30 C29 C34A 144.1(8) . . ?
C28 C29 Y1 73.3(3) . . ?
C30 C29 Y1 74.5(3) . . ?
C34B C29 Y1 122.1(5) . . ?
C34A C29 Y1 120.6(5) . . ?
C31 C30 C29 108.9(5) . . ?
C31 C30 C35B 140.3(8) . . ?
C29 C30 C35B 109.5(8) . . ?
C31 C30 C35A 111.5(7) . . ?
C29 C30 C35A 139.5(7) . . ?
C31 C30 Y1 73.8(2) . . ?
C29 C30 Y1 75.0(3) . . ?
C35B C30 Y1 126.4(5) . . ?
C35A C30 Y1 119.5(5) . . ?
C30 C31 C27 107.7(5) . . ?
C30 C31 C36A 116.7(7) . . ?
C27 C31 C36A 135.5(7) . . ?
C30 C31 C36B 136.6(7) . . ?
C27 C31 C36B 115.5(7) . . ?
C30 C31 Y1 75.4(2) . . ?
C27 C31 Y1 74.5(2) . . ?
C36A C31 Y1 118.5(5) . . ?
C36B C31 Y1 119.7(5) . . ?
C27 C32A H32A 109.5 . . ?
C27 C32A H32B 109.5 . . ?
H32A C32A H32B 109.5 . . ?
C27 C32A H32C 109.5 . . ?
H32A C32A H32C 109.5 . . ?
H32B C32A H32C 109.5 . . ?
C28 C33A H33A 109.5 . . ?
C28 C33A H33B 109.5 . . ?
H33A C33A H33B 109.5 . . ?
C28 C33A H33C 109.5 . . ?
H33A C33A H33C 109.5 . . ?
H33B C33A H33C 109.5 . . ?
C29 C34A H34A 109.5 . . ?
C29 C34A H34B 109.5 . . ?
H34A C34A H34B 109.5 . . ?
C29 C34A H34C 109.5 . . ?
H34A C34A H34C 109.5 . . ?
H34B C34A H34C 109.5 . . ?
C30 C35A H35A 109.5 . . ?
C30 C35A H35B 109.5 . . ?
H35A C35A H35B 109.5 . . ?
C30 C35A H35C 109.5 . . ?
H35A C35A H35C 109.5 . . ?
H35B C35A H35C 109.5 . . ?
C31 C36A H36A 109.5 . . ?
C31 C36A H36B 109.5 . . ?
H36A C36A H36B 109.5 . . ?
C31 C36A H36C 109.5 . . ?
H36A C36A H36C 109.5 . . ?
H36B C36A H36C 109.5 . . ?
C27 C32B H32D 109.5 . . ?
C27 C32B H32E 109.5 . . ?
H32D C32B H32E 109.5 . . ?
C27 C32B H32F 109.5 . . ?
H32D C32B H32F 109.5 . . ?
H32E C32B H32F 109.5 . . ?
C28 C33B H33D 109.5 . . ?
C28 C33B H33E 109.5 . . ?
H33D C33B H33E 109.5 . . ?
C28 C33B H33F 109.5 . . ?
H33D C33B H33F 109.5 . . ?
H33E C33B H33F 109.5 . . ?
C29 C34B H34D 109.5 . . ?
C29 C34B H34E 109.5 . . ?
H34D C34B H34E 109.5 . . ?
C29 C34B H34F 109.5 . . ?
H34D C34B H34F 109.5 . . ?
H34E C34B H34F 109.5 . . ?
C30 C35B H35D 109.5 . . ?
C30 C35B H35E 109.5 . . ?
H35D C35B H35E 109.5 . . ?
C30 C35B H35F 109.5 . . ?
H35D C35B H35F 109.5 . . ?
H35E C35B H35F 109.5 . . ?
C31 C36B H36D 109.5 . . ?
C31 C36B H36E 109.5 . . ?
H36D C36B H36E 109.5 . . ?
C31 C36B H36F 109.5 . . ?
H36D C36B H36F 109.5 . . ?
H36E C36B H36F 109.5 . . ?
C1 Si1 C9 108.25(16) . . ?
C1 Si1 C15 109.16(17) . . ?
C9 Si1 C15 108.2(2) . . ?
C1 Si1 C12 108.76(15) . . ?
C9 Si1 C12 107.33(19) . . ?
C15 Si1 C12 114.91(18) . . ?
C8 Si2 C18 106.26(16) . . ?
C8 Si2 C24 108.84(17) . . ?
C18 Si2 C24 107.7(2) . . ?
C8 Si2 C21 114.05(18) . . ?
C18 Si2 C21 111.3(2) . . ?
C24 Si2 C21 108.49(19) . . ?
C4 Y1 C5 35.55(11) . . ?
C4 Y1 C27 128.53(12) . . ?
C5 Y1 C27 159.79(13) . . ?
C4 Y1 C3 33.30(12) . . ?
C5 Y1 C3 55.28(12) . . ?
C27 Y1 C3 120.45(14) . . ?
C4 Y1 C28 129.87(16) . . ?
C5 Y1 C28 159.26(14) . . ?
C27 Y1 C28 31.11(17) . . ?
C3 Y1 C28 104.61(14) . . ?
C4 Y1 C6 55.37(12) . . ?
C5 Y1 C6 33.29(12) . . ?
C27 Y1 C6 134.75(14) . . ?
C3 Y1 C6 84.95(12) . . ?
C28 Y1 C6 165.81(16) . . ?
C4 Y1 C31 148.40(14) . . ?
C5 Y1 C31 149.77(13) . . ?
C27 Y1 C31 31.13(16) . . ?
C3 Y1 C31 151.56(14) . . ?
C28 Y1 C31 50.93(15) . . ?
C6 Y1 C31 116.75(13) . . ?
C4 Y1 C8 33.73(10) . . ?
C5 Y1 C8 56.54(10) . . ?
C27 Y1 C8 103.40(12) . . ?
C3 Y1 C8 61.80(11) . . ?
C28 Y1 C8 121.82(18) . . ?
C6 Y1 C8 53.34(10) . . ?
C31 Y1 C8 115.02(14) . . ?
C4 Y1 C1 56.41(10) . . ?
C5 Y1 C1 33.34(10) . . ?
C27 Y1 C1 163.98(14) . . ?
C3 Y1 C1 53.39(10) . . ?
C28 Y1 C1 132.90(15) . . ?
C6 Y1 C1 61.26(11) . . ?
C31 Y1 C1 152.25(14) . . ?
C8 Y1 C1 86.62(10) . . ?
C4 Y1 C30 179.12(16) . . ?
C5 Y1 C30 144.77(14) . . ?
C27 Y1 C30 50.90(14) . . ?
C3 Y1 C30 147.36(19) . . ?
C28 Y1 C30 50.1(2) . . ?
C6 Y1 C30 124.37(18) . . ?
C31 Y1 C30 30.74(17) . . ?
C8 Y1 C30 145.38(16) . . ?
C1 Y1 C30 124.35(13) . . ?
C4 Y1 C29 150.10(19) . . ?
C5 Y1 C29 148.96(15) . . ?
C27 Y1 C29 51.06(16) . . ?
C3 Y1 C29 117.14(19) . . ?
C28 Y1 C29 30.3(2) . . ?
C6 Y1 C29 151.5(2) . . ?
C31 Y1 C29 50.90(16) . . ?
C8 Y1 C29 151.91(18) . . ?
C1 Y1 C29 115.96(14) . . ?
C30 Y1 C29 30.4(2) . . ?
C4 Y1 C2 52.79(11) . . ?
C5 Y1 C2 52.35(11) . . ?
C27 Y1 C2 135.94(14) . . ?
C3 Y1 C2 30.35(11) . . ?
C28 Y1 C2 108.14(14) . . ?
C6 Y1 C2 85.45(12) . . ?
C31 Y1 C2 155.37(13) . . ?
C8 Y1 C2 86.28(10) . . ?
C1 Y1 C2 30.85(10) . . ?
C30 Y1 C2 128.09(17) . . ?
C29 Y1 C2 104.50(15) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 C1 C2 C3 2.3(4) . . . . ?
Si1 C1 C2 C3 166.1(3) . . . . ?
Y1 C1 C2 C3 -56.4(3) . . . . ?
C5 C1 C2 Y1 58.7(2) . . . . ?
Si1 C1 C2 Y1 -137.5(3) . . . . ?
C1 C2 C3 C4 -2.1(4) . . . . ?
Y1 C2 C3 C4 -59.4(2) . . . . ?
C1 C2 C3 Y1 57.3(3) . . . . ?
C2 C3 C4 C5 1.0(4) . . . . ?
Y1 C3 C4 C5 -69.2(2) . . . . ?
C2 C3 C4 C8 142.2(4) . . . . ?
Y1 C3 C4 C8 72.0(4) . . . . ?
C2 C3 C4 Y1 70.2(3) . . . . ?
C3 C4 C5 C6 151.7(3) . . . . ?
C8 C4 C5 C6 0.0(4) . . . . ?
Y1 C4 C5 C6 75.8(2) . . . . ?
C3 C4 C5 C1 0.4(4) . . . . ?
C8 C4 C5 C1 -151.3(3) . . . . ?
Y1 C4 C5 C1 -75.5(2) . . . . ?
C3 C4 C5 Y1 75.9(2) . . . . ?
C8 C4 C5 Y1 -75.8(2) . . . . ?
C2 C1 C5 C4 -1.6(4) . . . . ?
Si1 C1 C5 C4 -165.9(2) . . . . ?
Y1 C1 C5 C4 67.9(2) . . . . ?
C2 C1 C5 C6 -141.9(4) . . . . ?
Si1 C1 C5 C6 53.9(5) . . . . ?
Y1 C1 C5 C6 -72.4(4) . . . . ?
C2 C1 C5 Y1 -69.5(2) . . . . ?
Si1 C1 C5 Y1 126.3(2) . . . . ?
C4 C5 C6 C7 1.2(4) . . . . ?
C1 C5 C6 C7 142.2(4) . . . . ?
Y1 C5 C6 C7 69.5(3) . . . . ?
C4 C5 C6 Y1 -68.3(2) . . . . ?
C1 C5 C6 Y1 72.7(4) . . . . ?
C5 C6 C7 C8 -2.0(4) . . . . ?
Y1 C6 C7 C8 57.0(3) . . . . ?
C5 C6 C7 Y1 -59.0(2) . . . . ?
C6 C7 C8 C4 1.9(4) . . . . ?
Y1 C7 C8 C4 58.7(2) . . . . ?
C6 C7 C8 Si2 155.0(3) . . . . ?
Y1 C7 C8 Si2 -148.3(3) . . . . ?
C6 C7 C8 Y1 -56.8(3) . . . . ?
C3 C4 C8 C7 -141.6(4) . . . . ?
C5 C4 C8 C7 -1.1(4) . . . . ?
Y1 C4 C8 C7 -69.9(2) . . . . ?
C3 C4 C8 Si2 65.2(5) . . . . ?
C5 C4 C8 Si2 -154.3(2) . . . . ?
Y1 C4 C8 Si2 136.9(2) . . . . ?
C3 C4 C8 Y1 -71.7(4) . . . . ?
C5 C4 C8 Y1 68.8(2) . . . . ?
C31 C27 C28 C29 -1.3(5) . . . . ?
C32A C27 C28 C29 171.6(6) . . . . ?
C32B C27 C28 C29 173.3(8) . . . . ?
Y1 C27 C28 C29 -69.2(3) . . . . ?
C31 C27 C28 C33A -171.0(8) . . . . ?
C32A C27 C28 C33A 1.9(11) . . . . ?
C32B C27 C28 C33A 3.6(13) . . . . ?
Y1 C27 C28 C33A 121.1(8) . . . . ?
C31 C27 C28 C33B -174.9(5) . . . . ?
C32A C27 C28 C33B -2.0(8) . . . . ?
C32B C27 C28 C33B -0.3(10) . . . . ?
Y1 C27 C28 C33B 117.2(5) . . . . ?
C31 C27 C28 Y1 67.9(3) . . . . ?
C32A C27 C28 Y1 -119.2(6) . . . . ?
C32B C27 C28 Y1 -117.5(8) . . . . ?
C27 C28 C29 C30 0.9(5) . . . . ?
C33A C28 C29 C30 173.7(5) . . . . ?
C33B C28 C29 C30 172.1(7) . . . . ?
Y1 C28 C29 C30 -67.4(3) . . . . ?
C27 C28 C29 C34B -171.5(8) . . . . ?
C33A C28 C29 C34B 1.4(10) . . . . ?
C33B C28 C29 C34B -0.3(13) . . . . ?
Y1 C28 C29 C34B 120.3(8) . . . . ?
C27 C28 C29 C34A -174.3(5) . . . . ?
C33A C28 C29 C34A -1.4(7) . . . . ?
C33B C28 C29 C34A -3.1(10) . . . . ?
Y1 C28 C29 C34A 117.5(5) . . . . ?
C27 C28 C29 Y1 68.2(3) . . . . ?
C33A C28 C29 Y1 -118.9(5) . . . . ?
C33B C28 C29 Y1 -120.6(8) . . . . ?
C28 C29 C30 C31 -0.1(5) . . . . ?
C34B C29 C30 C31 174.5(5) . . . . ?
C34A C29 C30 C31 172.0(8) . . . . ?
Y1 C29 C30 C31 -66.7(3) . . . . ?
C28 C29 C30 C35B -169.6(6) . . . . ?
C34B C29 C30 C35B 5.1(8) . . . . ?
C34A C29 C30 C35B 2.6(11) . . . . ?
Y1 C29 C30 C35B 123.9(5) . . . . ?
C28 C29 C30 C35A -175.3(7) . . . . ?
C34B C29 C30 C35A -0.7(10) . . . . ?
C34A C29 C30 C35A -3.2(13) . . . . ?
Y1 C29 C30 C35A 118.1(8) . . . . ?
C28 C29 C30 Y1 66.5(3) . . . . ?
C34B C29 C30 Y1 -118.8(5) . . . . ?
C34A C29 C30 Y1 -121.3(9) . . . . ?
C29 C30 C31 C27 -0.7(5) . . . . ?
C35B C30 C31 C27 163.7(9) . . . . ?
C35A C30 C31 C27 176.0(5) . . . . ?
Y1 C30 C31 C27 -68.1(3) . . . . ?
C29 C30 C31 C36A -177.6(6) . . . . ?
C35B C30 C31 C36A -13.3(12) . . . . ?
C35A C30 C31 C36A -1.0(8) . . . . ?
Y1 C30 C31 C36A 114.9(6) . . . . ?
C29 C30 C31 C36B -174.5(8) . . . . ?
C35B C30 C31 C36B -10.1(13) . . . . ?
C35A C30 C31 C36B 2.1(10) . . . . ?
Y1 C30 C31 C36B 118.0(8) . . . . ?
C29 C30 C31 Y1 67.4(3) . . . . ?
C35B C30 C31 Y1 -128.2(9) . . . . ?
C35A C30 C31 Y1 -115.9(5) . . . . ?
C28 C27 C31 C30 1.2(4) . . . . ?
C32A C27 C31 C30 -169.6(8) . . . . ?
C32B C27 C31 C30 -174.7(6) . . . . ?
Y1 C27 C31 C30 68.7(3) . . . . ?
C28 C27 C31 C36A 177.3(8) . . . . ?
C32A C27 C31 C36A 6.5(12) . . . . ?
C32B C27 C31 C36A 1.5(10) . . . . ?
Y1 C27 C31 C36A -115.1(8) . . . . ?
C28 C27 C31 C36B 176.5(6) . . . . ?
C32A C27 C31 C36B 5.7(11) . . . . ?
C32B C27 C31 C36B 0.7(9) . . . . ?
Y1 C27 C31 C36B -115.9(6) . . . . ?
C28 C27 C31 Y1 -67.6(3) . . . . ?
C32A C27 C31 Y1 121.6(8) . . . . ?
C32B C27 C31 Y1 116.6(6) . . . . ?
C2 C1 Si1 C9 -92.8(3) . . . . ?
C5 C1 Si1 C9 67.7(3) . . . . ?
Y1 C1 Si1 C9 153.5(2) . . . . ?
C2 C1 Si1 C15 24.8(4) . . . . ?
C5 C1 Si1 C15 -174.7(3) . . . . ?
Y1 C1 Si1 C15 -88.9(3) . . . . ?
C2 C1 Si1 C12 150.9(3) . . . . ?
C5 C1 Si1 C12 -48.6(3) . . . . ?
Y1 C1 Si1 C12 37.2(3) . . . . ?
C11 C9 Si1 C1 -67.6(4) . . . . ?
C10 C9 Si1 C1 57.5(4) . . . . ?
C11 C9 Si1 C15 174.2(3) . . . . ?
C10 C9 Si1 C15 -60.7(4) . . . . ?
C11 C9 Si1 C12 49.6(3) . . . . ?
C10 C9 Si1 C12 174.8(4) . . . . ?
C16 C15 Si1 C1 69.1(4) . . . . ?
C17 C15 Si1 C1 -162.6(3) . . . . ?
C16 C15 Si1 C9 -173.3(4) . . . . ?
C17 C15 Si1 C9 -45.0(4) . . . . ?
C16 C15 Si1 C12 -53.4(5) . . . . ?
C17 C15 Si1 C12 74.9(4) . . . . ?
C14 C12 Si1 C1 -52.3(3) . . . . ?
C13 C12 Si1 C1 178.7(3) . . . . ?
C14 C12 Si1 C9 -169.2(3) . . . . ?
C13 C12 Si1 C9 61.8(4) . . . . ?
C14 C12 Si1 C15 70.4(4) . . . . ?
C13 C12 Si1 C15 -58.6(4) . . . . ?
C7 C8 Si2 C18 -69.2(3) . . . . ?
C4 C8 Si2 C18 78.5(3) . . . . ?
Y1 C8 Si2 C18 168.6(3) . . . . ?
C7 C8 Si2 C24 175.0(3) . . . . ?
C4 C8 Si2 C24 -37.3(3) . . . . ?
Y1 C8 Si2 C24 52.8(3) . . . . ?
C7 C8 Si2 C21 53.8(4) . . . . ?
C4 C8 Si2 C21 -158.6(3) . . . . ?
Y1 C8 Si2 C21 -68.5(3) . . . . ?
C20 C18 Si2 C8 -67.9(4) . . . . ?
C19 C18 Si2 C8 57.1(4) . . . . ?
C20 C18 Si2 C24 48.6(4) . . . . ?
C19 C18 Si2 C24 173.7(3) . . . . ?
C20 C18 Si2 C21 167.4(3) . . . . ?
C19 C18 Si2 C21 -67.5(4) . . . . ?
C25 C24 Si2 C8 -64.6(3) . . . . ?
C26 C24 Si2 C8 168.5(4) . . . . ?
C25 C24 Si2 C18 -179.4(3) . . . . ?
C26 C24 Si2 C18 53.7(4) . . . . ?
C25 C24 Si2 C21 60.1(4) . . . . ?
C26 C24 Si2 C21 -66.9(4) . . . . ?

_refine_diff_density_max         1.971
_refine_diff_density_min         -1.105
_refine_diff_density_rms         0.106

_shelxl_version_number           2013-3



#===END

_chemical_properties_physical    Air-sensitive,Moisture-sensitive
