# Electronic Supplementary Material (ESI) for CrystEngComm.
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2095669'
loop_
_audit_author_name
_audit_author_address
'Anton Cherkasov'
;IOMC RAS
Russia
;
_audit_update_record             
;
2021-07-10 deposited with the CCDC.	2021-11-09 downloaded from the CCDC.
;
_audit_creation_date             2021-07-07
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C104 H124 Dy2 O12 Si4, 2(C24 H20 B), 2(C4 H8 O), C3 H3'
_chemical_formula_sum            'C163 H183 B2 Dy2 O14 Si4'
_chemical_formula_weight         2825.06
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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                   46.8542(19)
_cell_length_b                   18.1479(8)
_cell_length_c                   18.2239(8)
_cell_angle_alpha                90
_cell_angle_beta                 112.5840(10)
_cell_angle_gamma                90
_cell_volume                     14307.6(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5879
_cell_measurement_temperature    120
_cell_measurement_theta_max      20.81
_cell_measurement_theta_min      2.24
_shelx_estimated_absorpt_T_max   0.849
_shelx_estimated_absorpt_T_min   0.765
_exptl_absorpt_coefficient_mu    1.132
_exptl_absorpt_correction_T_max  0.4330
_exptl_absorpt_correction_T_min  0.3701
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0722 before and 0.0611 after correction.
The Ratio of minimum to maximum transmission is 0.8547.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.312
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             5884
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0870
_diffrn_reflns_av_unetI/netI     0.0715
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       55
_diffrn_reflns_limit_h_min       -55
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            54365
_diffrn_reflns_point_group_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.804
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8557
_reflns_number_total             12598
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         2.263
_refine_diff_density_min         -2.029
_refine_diff_density_rms         0.103
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     875
_refine_ls_number_reflns         12598
_refine_ls_number_restraints     231
_refine_ls_R_factor_all          0.0995
_refine_ls_R_factor_gt           0.0598
_refine_ls_restrained_S_all      1.016
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0488P)²+141.1722P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1301
_refine_ls_wR_factor_ref         0.1570
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 Si1-C7' \\sim Si1-C7
 with sigma of 0.02
 Si1-C1 \\sim Si1-C1'
 with sigma of 0.02
 Si1-C13 \\sim Si1-C13'
 with sigma of 0.02
 Dy1-O3' \\sim Dy1-O3
 with sigma of 0.02
 O3-C37 \\sim O3'-C37'
 with sigma of 0.02
 C39'-C38' \\sim C39-C38
 with sigma of 0.02
 O3-C40 \\sim O3'-C40'
 with sigma of 0.02
 C38-C37 \\sim C38'-C37'
 with sigma of 0.02
 C40'-C39' \\sim C40-C39
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C34) \\sim Ueq, Uanis(C34') \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C8S) \\sim Ueq, Uanis(C7S) \\sim Ueq, Uanis(C6S) \\sim Ueq, Uanis(C5S)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C32) \\sim Ueq, Uanis(C32') \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C34') \\sim Ueq, Uanis(C33) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C37) \\sim Ueq, Uanis(C37') \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C38) \\sim Ueq, Uanis(C38') \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C39) \\sim Ueq, Uanis(C39') \\sim Ueq, Uanis(C40') \\sim Ueq, Uanis(C40)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C36) \\sim Ueq, Uanis(C36') \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C32')
\\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C34') \\sim Ueq, Uanis(C34) \\sim Ueq,
Uanis(C35') \\sim Ueq, Uanis(C35) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C31) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C6) \\sim Ueq, Uanis(C5) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C14') \\sim Ueq, Uanis(C15') \\sim Ueq, Uanis(C16') \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C4S) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C11') \\sim Ueq, Uanis(C11) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O1S) \\sim Ueq, Uanis(O1S') \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C1S') \\sim Ueq, Uanis(C1S) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C3S') \\sim Ueq, Uanis(C3S) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O3) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C34) = Uanis(C34')
Uanis(C35') = Uanis(C35)
Uanis(C36') = Uanis(C36)
Uanis(C32') = Uanis(C32)
Uanis(C37) = Uanis(C37')
Uanis(C38) = Uanis(C38')
Uanis(C39) = Uanis(C39')
Uanis(O3) = Uanis(O3')
Uanis(C40) = Uanis(C40')
Uanis(C33') = Uanis(C33)
Uanis(C8) = Uanis(C8')
Uanis(C10') = Uanis(C10)
Uanis(C9') = Uanis(C9)
Uanis(C7) = Uanis(C12)
Uanis(C11') = Uanis(C11)
Uanis(C12') = Uanis(C12)
Uanis(C7') = Uanis(C7)
Uanis(C13) = Uanis(C13')
Uanis(C18) = Uanis(C18')
Uanis(C17) = Uanis(C17')
Uanis(C16') = Uanis(C16)
Uanis(C15') = Uanis(C15)
Uanis(C14) = Uanis(C14')
Uanis(C5) = Uanis(C5')
Uanis(C6) = Uanis(C6')
Uanis(C4') = Uanis(C4)
Uanis(C1) = Uanis(C1')
Uanis(C3') = Uanis(C3)
Uanis(C2') = Uanis(C2)
Uanis(O1S') = Uanis(O1S)
Uanis(C4S) = Uanis(C4S')
Uanis(C1S) = Uanis(C1S')
Uanis(C2S) = Uanis(C2S')
Uanis(C3S) = Uanis(C3S')
4. Others
 Sof(C32')=Sof(H32')=Sof(C33')=Sof(H33')=Sof(C34')=Sof(H34')=Sof(C35')=
 Sof(H35')=Sof(C36')=Sof(H36')=1-FVAR(1)
 Sof(C32)=Sof(H32)=Sof(C33)=Sof(H33)=Sof(C34)=Sof(H34)=Sof(C35)=Sof(H35)=
 Sof(C36)=Sof(H36)=FVAR(1)
 Sof(C8')=Sof(H8')=Sof(C9')=Sof(H9')=Sof(C10')=Sof(H10')=Sof(C11')=Sof(H11')=
 Sof(C12')=Sof(H12')=Sof(C7')=1-FVAR(2)
 Sof(C7)=Sof(C8)=Sof(H8)=Sof(C9)=Sof(H9)=Sof(C10)=Sof(H10)=Sof(C11)=Sof(H11)=
 Sof(C12)=Sof(H12)=FVAR(2)
 Sof(C13')=Sof(C14')=Sof(H14')=Sof(C15')=Sof(H15')=Sof(C16')=Sof(H16')=
 Sof(C17')=Sof(H17')=Sof(C18')=Sof(H18')=1-FVAR(3)
 Sof(C13)=Sof(C14)=Sof(H14)=Sof(C15)=Sof(H15)=Sof(C16)=Sof(H16)=Sof(C17)=
 Sof(H17)=Sof(C18)=Sof(H18)=FVAR(3)
 Sof(C1')=Sof(C6')=Sof(H6')=Sof(C5')=Sof(H5')=Sof(C4')=Sof(H4')=Sof(C3')=
 Sof(H3')=Sof(C2')=Sof(H2')=1-FVAR(4)
 Sof(C1)=Sof(C6)=Sof(H6)=Sof(C5)=Sof(H5)=Sof(C4)=Sof(H4)=Sof(C3)=Sof(H3)=
 Sof(C2)=Sof(H2)=FVAR(4)
 Sof(O1S')=Sof(C1S')=Sof(H1SA)=Sof(H1SB)=Sof(C2S')=Sof(H2SA)=Sof(H2SB)=
 Sof(C3S')=Sof(H3SA)=Sof(H3SB)=Sof(C4S')=Sof(H4SA)=Sof(H4SB)=1-FVAR(5)
 Sof(O1S)=Sof(C1S)=Sof(H1SC)=Sof(H1SD)=Sof(C2S)=Sof(H2SC)=Sof(H2SD)=Sof(C3S)=
 Sof(H3SC)=Sof(H3SD)=Sof(C4S)=Sof(H4SC)=Sof(H4SD)=FVAR(5)
 Sof(O3')=Sof(C37')=Sof(H37C)=Sof(H37D)=Sof(C38')=Sof(H38C)=Sof(H38D)=
 Sof(C39')=Sof(H39C)=Sof(H39D)=Sof(C40')=Sof(H40C)=Sof(H40D)=1-FVAR(6)
 Sof(O3)=Sof(C37)=Sof(H37A)=Sof(H37B)=Sof(C38)=Sof(H38A)=Sof(H38B)=Sof(C39)=
 Sof(H39A)=Sof(H39B)=Sof(C40)=Sof(H40A)=Sof(H40B)=FVAR(6)
 Fixed Sof: C5S(0.25) H5S(0.25) C6S(0.5) H6S(0.5) C7S(0.5) H7S(0.5) C8S(0.25)
 H8S(0.25)
5.a Secondary CH2 refined with riding coordinates:
 C41(H41A,H41B), C42(H42A,H42B), C43(H43A,H43B), C44(H44A,H44B), C45(H45A,
 H45B), C46(H46A,H46B), C47(H47A,H47B), C48(H48A,H48B), C49(H49A,H49B),
 C50(H50A,H50B), C51(H51A,H51B), C52(H52A,H52B), C37(H37A,H37B), C38(H38A,H38B),
  C39(H39A,H39B), C40(H40A,H40B), C37'(H37C,H37D), C38'(H38C,H38D), C39'(H39C,
 H39D), C40'(H40C,H40D), C1S'(H1SA,H1SB), C2S'(H2SA,H2SB), C3S'(H3SA,H3SB),
 C4S'(H4SA,H4SB), C1S(H1SC,H1SD), C2S(H2SC,H2SD), C3S(H3SC,H3SD), C4S(H4SC,H4SD)
5.b Aromatic/amide H refined with riding coordinates:
 C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C26(H26), C27(H27),
 C28(H28), C29(H29), C30(H30), C6(H6), C5(H5), C4(H4), C3(H3), C2(H2), C8(H8),
 C9(H9), C10(H10), C11(H11), C12(H12), C14(H14), C15(H15), C16(H16), C17(H17),
 C18(H18), C32'(H32'), C33'(H33'), C34'(H34'), C35'(H35'), C36'(H36'), C6'(H6'),
  C5'(H5'), C4'(H4'), C3'(H3'), C2'(H2'), C8'(H8'), C9'(H9'), C10'(H10'),
 C11'(H11'), C12'(H12'), C14'(H14'), C15'(H15'), C16'(H16'), C17'(H17'),
 C18'(H18'), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C54(H54),
 C55(H55), C56(H56), C57(H57), C58(H58), C60(H60), C61(H61), C62(H62), C63(H63),
  C64(H64), C66(H66), C67(H67), C68(H68), C69(H69), C70(H70), C72(H72),
 C73(H73), C74(H74), C75(H75), C76(H76), C5S(H5S), C6S(H6S), C7S(H7S), C8S(H8S)
5.c Fitted hexagon refined as free rotating group:
 C1(C6,C5,C4,C3,C2), C7(C8,C9,C10,C11,C12), C13(C14,C15,C16,C17,C18), C1'(C6',
 C5',C4',C3',C2'), C8'(C9',C10',C11',C12',C7'), C13'(C14',C15',C16',C17',C18')
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.37264(2) 0.77327(2) 0.36977(2) 0.04250(12) Uani 1 1 d D . . . .
Si1 Si 0.43392(5) 0.85860(13) 0.54145(14) 0.0547(6) Uani 1 1 d D . . . .
Si2 Si 0.40196(4) 0.58200(11) 0.40083(11) 0.0376(4) Uani 1 1 d . . . . .
O1 O 0.40687(11) 0.8244(3) 0.4668(3) 0.0588(14) Uani 1 1 d . . . . .
O2 O 0.38810(11) 0.6632(3) 0.3802(3) 0.0486(12) Uani 1 1 d . . . . .
O4 O 0.34791(12) 0.8918(3) 0.3396(3) 0.0539(13) Uani 1 1 d . . . . .
O5 O 0.33107(12) 0.7429(3) 0.2460(3) 0.0562(14) Uani 1 1 d . . . . .
O6 O 0.33605(12) 0.7509(3) 0.4249(3) 0.0518(13) Uani 1 1 d . . . . .
C19 C 0.43837(15) 0.5748(4) 0.3810(4) 0.0391(16) Uani 1 1 d . . . . .
C20 C 0.45849(15) 0.5158(5) 0.4061(4) 0.052(2) Uani 1 1 d . . . . .
H20 H 0.4537 0.4769 0.4343 0.062 Uiso 1 1 calc R U . . .
C21 C 0.48523(17) 0.5111(5) 0.3918(4) 0.056(2) Uani 1 1 d . . . . .
H21 H 0.4983 0.4694 0.4103 0.068 Uiso 1 1 calc R U . . .
C22 C 0.49331(19) 0.5652(5) 0.3516(5) 0.065(2) Uani 1 1 d . . . . .
H22 H 0.5118 0.5618 0.3419 0.078 Uiso 1 1 calc R U . . .
C23 C 0.4738(3) 0.6255(6) 0.3251(7) 0.090(3) Uani 1 1 d . . . . .
H23 H 0.4791 0.6641 0.2975 0.107 Uiso 1 1 calc R U . . .
C24 C 0.4464(2) 0.6296(5) 0.3391(5) 0.066(2) Uani 1 1 d . . . . .
H24 H 0.4331 0.6707 0.3194 0.079 Uiso 1 1 calc R U . . .
C25 C 0.37330(15) 0.5143(4) 0.3367(4) 0.0411(16) Uani 1 1 d . . . . .
C26 C 0.34495(17) 0.4996(4) 0.3443(5) 0.0526(19) Uani 1 1 d . . . . .
H26 H 0.3411 0.5213 0.3871 0.063 Uiso 1 1 calc R U . . .
C27 C 0.3227(2) 0.4547(5) 0.2917(5) 0.071(3) Uani 1 1 d . . . . .
H27 H 0.3041 0.4453 0.2994 0.085 Uiso 1 1 calc R U . . .
C28 C 0.3271(2) 0.4236(5) 0.2288(5) 0.073(3) Uani 1 1 d . . . . .
H28 H 0.3117 0.3926 0.1928 0.088 Uiso 1 1 calc R U . . .
C29 C 0.3539(2) 0.4372(5) 0.2176(5) 0.070(3) Uani 1 1 d . . . . .
H29 H 0.3568 0.4166 0.1730 0.084 Uiso 1 1 calc R U . . .
C30 C 0.37704(18) 0.4809(5) 0.2712(4) 0.057(2) Uani 1 1 d . . . . .
H30 H 0.3957 0.4883 0.2634 0.069 Uiso 1 1 calc R U . . .
C31 C 0.41209(15) 0.5597(4) 0.5079(4) 0.0439(17) Uani 1 1 d . U . . .
C41 C 0.3430(2) 0.9383(5) 0.2704(5) 0.068(3) Uani 1 1 d . . . . .
H41A H 0.3207 0.9413 0.2359 0.082 Uiso 1 1 calc R U . . .
H41B H 0.3545 0.9193 0.2388 0.082 Uiso 1 1 calc R U . . .
C42 C 0.3550(2) 1.0106(5) 0.3053(6) 0.075(3) Uani 1 1 d . . . . .
H42A H 0.3463 1.0508 0.2662 0.090 Uiso 1 1 calc R U . . .
H42B H 0.3778 1.0121 0.3249 0.090 Uiso 1 1 calc R U . . .
C43 C 0.3440(3) 1.0165(5) 0.3731(6) 0.084(3) Uani 1 1 d . . . . .
H43A H 0.3579 1.0486 0.4159 0.101 Uiso 1 1 calc R U . . .
H43B H 0.3228 1.0366 0.3545 0.101 Uiso 1 1 calc R U . . .
C44 C 0.34501(19) 0.9389(4) 0.4016(5) 0.056(2) Uani 1 1 d . . . . .
H44A H 0.3629 0.9317 0.4524 0.067 Uiso 1 1 calc R U . . .
H44B H 0.3258 0.9270 0.4100 0.067 Uiso 1 1 calc R U . . .
C45 C 0.30216(18) 0.7829(5) 0.2083(5) 0.066(2) Uani 1 1 d . . . . .
H45A H 0.3044 0.8215 0.1726 0.079 Uiso 1 1 calc R U . . .
H45B H 0.2960 0.8066 0.2490 0.079 Uiso 1 1 calc R U . . .
C46 C 0.2781(2) 0.7269(5) 0.1615(5) 0.071(2) Uani 1 1 d . . . . .
H46A H 0.2608 0.7258 0.1797 0.086 Uiso 1 1 calc R U . . .
H46B H 0.2699 0.7388 0.1041 0.086 Uiso 1 1 calc R U . . .
C47 C 0.2946(2) 0.6539(6) 0.1767(6) 0.083(3) Uani 1 1 d . . . . .
H47A H 0.2914 0.6268 0.2200 0.100 Uiso 1 1 calc R U . . .
H47B H 0.2874 0.6230 0.1282 0.100 Uiso 1 1 calc R U . . .
C48 C 0.3278(2) 0.6742(5) 0.2000(5) 0.079(3) Uani 1 1 d . . . . .
H48A H 0.3415 0.6351 0.2330 0.094 Uiso 1 1 calc R U . . .
H48B H 0.3328 0.6825 0.1526 0.094 Uiso 1 1 calc R U . . .
C49 C 0.33050(17) 0.7840(4) 0.4906(4) 0.0488(18) Uani 1 1 d . . . . .
H49A H 0.3126 0.8180 0.4709 0.059 Uiso 1 1 calc R U . . .
H49B H 0.3489 0.8117 0.5255 0.059 Uiso 1 1 calc R U . . .
C50 C 0.3238(2) 0.7198(4) 0.5352(5) 0.060(2) Uani 1 1 d . . . . .
H50A H 0.3408 0.7132 0.5878 0.072 Uiso 1 1 calc R U . . .
H50B H 0.3042 0.7278 0.5428 0.072 Uiso 1 1 calc R U . . .
C51 C 0.3214(3) 0.6543(5) 0.4828(6) 0.082(3) Uani 1 1 d . . . . .
H51A H 0.3404 0.6240 0.5042 0.098 Uiso 1 1 calc R U . . .
H51B H 0.3035 0.6232 0.4788 0.098 Uiso 1 1 calc R U . . .
C52 C 0.3173(2) 0.6848(5) 0.4049(5) 0.065(2) Uani 1 1 d . . . . .
H52A H 0.3248 0.6500 0.3743 0.079 Uiso 1 1 calc R U . . .
H52B H 0.2954 0.6967 0.3735 0.079 Uiso 1 1 calc R U . . .
O3 O 0.3993(4) 0.8093(10) 0.2893(8) 0.068(3) Uani 0.742(14) 1 d D U P A 1
C1 C 0.4702(2) 0.8033(6) 0.5630(6) 0.047(3) Uani 0.712(16) 1 d DG . P B 1
C6 C 0.4938(2) 0.8163(7) 0.6364(6) 0.070(4) Uani 0.712(16) 1 d G U P B 1
H6 H 0.4919 0.8551 0.6692 0.084 Uiso 0.712(16) 1 calc R U P B 1
C5 C 0.52015(19) 0.7726(8) 0.6617(6) 0.089(4) Uani 0.712(16) 1 d G U P B 1
H5 H 0.5363 0.7815 0.7119 0.106 Uiso 0.712(16) 1 calc R U P B 1
C4 C 0.5229(2) 0.7158(7) 0.6137(8) 0.091(5) Uani 0.712(16) 1 d G . P B 1
H4 H 0.5409 0.6859 0.6310 0.109 Uiso 0.712(16) 1 calc R U P B 1
C3 C 0.4993(4) 0.7028(8) 0.5403(8) 0.084(4) Uani 0.712(16) 1 d G . P B 1
H3 H 0.5012 0.6640 0.5074 0.101 Uiso 0.712(16) 1 calc R U P B 1
C2 C 0.4729(3) 0.7466(8) 0.5149(6) 0.060(4) Uani 0.712(16) 1 d G . P B 1
H2 H 0.4568 0.7377 0.4647 0.072 Uiso 0.712(16) 1 calc R U P B 1
C7 C 0.4382(2) 0.9595(4) 0.5103(7) 0.072(3) Uani 0.705(9) 1 d DG . P B 1
C8 C 0.4592(2) 0.9710(4) 0.4746(7) 0.095(5) Uani 0.705(9) 1 d G . P B 1
H8 H 0.4712 0.9311 0.4684 0.114 Uiso 0.705(9) 1 calc R U P B 1
C9 C 0.4628(2) 1.0409(5) 0.4482(7) 0.119(6) Uani 0.705(9) 1 d G . P B 1
H9 H 0.4772 1.0488 0.4238 0.142 Uiso 0.705(9) 1 calc R U P B 1
C10 C 0.4452(2) 1.0993(4) 0.4574(7) 0.085(4) Uani 0.705(9) 1 d G . P B 1
H10 H 0.4476 1.1471 0.4393 0.102 Uiso 0.705(9) 1 calc R U P B 1
C11 C 0.4242(2) 1.0878(5) 0.4930(7) 0.097(5) Uani 0.705(9) 1 d G U P B 1
H11 H 0.4122 1.1277 0.4993 0.116 Uiso 0.705(9) 1 calc R U P B 1
C12 C 0.4206(2) 1.0179(6) 0.5195(8) 0.072(3) Uani 0.705(9) 1 d G . P B 1
H12 H 0.4062 1.0100 0.5438 0.087 Uiso 0.705(9) 1 calc R U P B 1
C13 C 0.42298(18) 0.8616(5) 0.6296(4) 0.051(3) Uani 0.763(10) 1 d DG . P B 1
C14 C 0.4305(2) 0.9192(4) 0.6840(5) 0.090(4) Uani 0.763(10) 1 d G . P B 1
H14 H 0.4418 0.9602 0.6775 0.109 Uiso 0.763(10) 1 calc R U P B 1
C15 C 0.4213(3) 0.9167(5) 0.7480(5) 0.114(5) Uani 0.763(10) 1 d G . P B 1
H15 H 0.4264 0.9560 0.7852 0.136 Uiso 0.763(10) 1 calc R U P B 1
C16 C 0.4046(2) 0.8566(6) 0.7576(5) 0.100(5) Uani 0.763(10) 1 d G . P B 1
H16 H 0.3984 0.8549 0.8013 0.120 Uiso 0.763(10) 1 calc R U P B 1
C17 C 0.3972(2) 0.7990(5) 0.7032(5) 0.107(6) Uani 0.763(10) 1 d G . P B 1
H17 H 0.3858 0.7579 0.7097 0.129 Uiso 0.763(10) 1 calc R U P B 1
C18 C 0.40633(19) 0.8015(5) 0.6392(4) 0.069(4) Uani 0.763(10) 1 d G . P B 1
H18 H 0.4012 0.7621 0.6020 0.083 Uiso 0.763(10) 1 calc R U P B 1
C32' C 0.4251(6) 0.6187(15) 0.5636(14) 0.073(4) Uani 0.476(18) 1 d . U P C 1
H32' H 0.4243 0.6676 0.5444 0.088 Uiso 0.476(18) 1 calc R U P C 1
C33' C 0.4385(7) 0.6061(16) 0.6429(17) 0.081(5) Uani 0.476(18) 1 d . . P C 1
H33' H 0.4528 0.6409 0.6762 0.097 Uiso 0.476(18) 1 calc R U P C 1
C34' C 0.4321(5) 0.5472(13) 0.6739(12) 0.045(3) Uani 0.476(18) 1 d . U P C 1
H34' H 0.4414 0.5383 0.7295 0.054 Uiso 0.476(18) 1 calc R U P C 1
C35' C 0.4105(7) 0.4962(16) 0.6213(18) 0.074(5) Uani 0.476(18) 1 d . U P C 1
H35' H 0.4038 0.4552 0.6429 0.089 Uiso 0.476(18) 1 calc R U P C 1
C36' C 0.3990(8) 0.5056(19) 0.537(2) 0.065(5) Uani 0.476(18) 1 d . U P C 1
H36' H 0.3828 0.4755 0.5025 0.078 Uiso 0.476(18) 1 calc R U P C 1
C37 C 0.3921(3) 0.7808(9) 0.2079(8) 0.081(4) Uani 0.742(14) 1 d D U P A 1
H37A H 0.3720 0.8005 0.1707 0.097 Uiso 0.742(14) 1 calc R U P A 1
H37B H 0.3910 0.7263 0.2071 0.097 Uiso 0.742(14) 1 calc R U P A 1
C38 C 0.4176(4) 0.8067(11) 0.1856(10) 0.105(6) Uani 0.742(14) 1 d D U P A 1
H38A H 0.4354 0.7725 0.2046 0.126 Uiso 0.742(14) 1 calc R U P A 1
H38B H 0.4108 0.8133 0.1274 0.126 Uiso 0.742(14) 1 calc R U P A 1
C39 C 0.4248(4) 0.8762(9) 0.2270(9) 0.101(5) Uani 0.742(14) 1 d D U P A 1
H39A H 0.4100 0.9146 0.1966 0.121 Uiso 0.742(14) 1 calc R U P A 1
H39B H 0.4459 0.8923 0.2343 0.121 Uiso 0.742(14) 1 calc R U P A 1
C40 C 0.4225(4) 0.8635(11) 0.3100(11) 0.090(4) Uani 0.742(14) 1 d D U P A 1
H40A H 0.4422 0.8453 0.3502 0.108 Uiso 0.742(14) 1 calc R U P A 1
H40B H 0.4161 0.9088 0.3298 0.108 Uiso 0.742(14) 1 calc R U P A 1
O3' O 0.3942(13) 0.798(3) 0.274(3) 0.068(3) Uani 0.258(14) 1 d D . P A 2
C1' C 0.4699(6) 0.7956(18) 0.5807(19) 0.047(3) Uani 0.288(16) 1 d DG . P B 2
C6' C 0.4893(6) 0.7782(17) 0.6581(16) 0.070(4) Uani 0.288(16) 1 d G . P B 2
H6' H 0.4862 0.8005 0.7016 0.084 Uiso 0.288(16) 1 calc R U P B 2
C5' C 0.5133(5) 0.7283(18) 0.6719(17) 0.089(4) Uani 0.288(16) 1 d G . P B 2
H5' H 0.5266 0.7164 0.7249 0.106 Uiso 0.288(16) 1 calc R U P B 2
C4' C 0.5179(7) 0.6957(18) 0.608(2) 0.091(5) Uani 0.288(16) 1 d G . P B 2
H4' H 0.5343 0.6615 0.6177 0.109 Uiso 0.288(16) 1 calc R U P B 2
C3' C 0.4985(10) 0.713(2) 0.531(2) 0.084(4) Uani 0.288(16) 1 d G . P B 2
H3' H 0.5016 0.6908 0.4874 0.101 Uiso 0.288(16) 1 calc R U P B 2
C2' C 0.4745(9) 0.763(3) 0.5171(14) 0.060(4) Uani 0.288(16) 1 d G . P B 2
H2' H 0.4612 0.7749 0.4642 0.072 Uiso 0.288(16) 1 calc R U P B 2
C8' C 0.4798(6) 0.9719(9) 0.5356(16) 0.095(5) Uani 0.295(9) 1 d G . P B 2
H8' H 0.4941 0.9328 0.5418 0.114 Uiso 0.295(9) 1 calc R U P B 2
C9' C 0.4881(5) 1.0439(11) 0.5270(18) 0.119(6) Uani 0.295(9) 1 d G . P B 2
H9' H 0.5081 1.0541 0.5273 0.142 Uiso 0.295(9) 1 calc R U P B 2
C10' C 0.4673(6) 1.1010(8) 0.5178(17) 0.085(4) Uani 0.295(9) 1 d G . P B 2
H10' H 0.4729 1.1502 0.5120 0.102 Uiso 0.295(9) 1 calc R U P B 2
C11' C 0.4381(5) 1.0861(12) 0.5173(18) 0.097(5) Uani 0.295(9) 1 d G U P B 2
H11' H 0.4238 1.1251 0.5110 0.116 Uiso 0.295(9) 1 calc R U P B 2
C12' C 0.4298(5) 1.0140(15) 0.526(2) 0.072(3) Uani 0.295(9) 1 d G . P B 2
H12' H 0.4098 1.0038 0.5255 0.087 Uiso 0.295(9) 1 calc R U P B 2
C7' C 0.4506(6) 0.9569(10) 0.5350(18) 0.072(3) Uani 0.295(9) 1 d DG . P B 2
C13' C 0.4191(7) 0.8284(15) 0.6214(14) 0.051(3) Uani 0.237(10) 1 d DG . P B 2
C14' C 0.4083(8) 0.8917(13) 0.6455(19) 0.090(4) Uani 0.237(10) 1 d G U P B 2
H14' H 0.4111 0.9385 0.6259 0.109 Uiso 0.237(10) 1 calc R U P B 2
C15' C 0.3935(9) 0.8864(16) 0.698(2) 0.114(5) Uani 0.237(10) 1 d G U P B 2
H15' H 0.3862 0.9297 0.7149 0.136 Uiso 0.237(10) 1 calc R U P B 2
C16' C 0.3895(8) 0.818(2) 0.7272(18) 0.100(5) Uani 0.237(10) 1 d G U P B 2
H16' H 0.3793 0.8144 0.7633 0.120 Uiso 0.237(10) 1 calc R U P B 2
C17' C 0.4002(7) 0.7547(15) 0.7030(18) 0.107(6) Uani 0.237(10) 1 d G . P B 2
H17' H 0.3974 0.7079 0.7227 0.129 Uiso 0.237(10) 1 calc R U P B 2
C18' C 0.4150(7) 0.7600(13) 0.6502(17) 0.069(4) Uani 0.237(10) 1 d G . P B 2
H18' H 0.4223 0.7168 0.6337 0.083 Uiso 0.237(10) 1 calc R U P B 2
C32 C 0.4367(5) 0.5932(13) 0.5638(13) 0.073(4) Uani 0.524(18) 1 d . U P C 2
H32 H 0.4480 0.6299 0.5492 0.088 Uiso 0.524(18) 1 calc R U P C 2
C33 C 0.4457(6) 0.5716(14) 0.6477(15) 0.081(5) Uani 0.524(18) 1 d . U P C 2
H33 H 0.4606 0.5996 0.6887 0.097 Uiso 0.524(18) 1 calc R U P C 2
C34 C 0.4325(4) 0.5112(12) 0.6656(11) 0.045(3) Uani 0.524(18) 1 d . U P C 2
H34 H 0.4365 0.5003 0.7196 0.054 Uiso 0.524(18) 1 calc R U P C 2
C35 C 0.4157(6) 0.4710(15) 0.6138(16) 0.074(5) Uani 0.524(18) 1 d . U P C 2
H35 H 0.4094 0.4251 0.6277 0.089 Uiso 0.524(18) 1 calc R U P C 2
C36 C 0.4055(7) 0.4915(18) 0.533(2) 0.065(5) Uani 0.524(18) 1 d . U P C 2
H36 H 0.3935 0.4573 0.4942 0.078 Uiso 0.524(18) 1 calc R U P C 2
C37' C 0.3978(10) 0.748(3) 0.213(3) 0.081(4) Uani 0.258(14) 1 d D U P A 2
H37C H 0.4001 0.6963 0.2314 0.097 Uiso 0.258(14) 1 calc R U P A 2
H37D H 0.3794 0.7514 0.1626 0.097 Uiso 0.258(14) 1 calc R U P A 2
C38' C 0.4259(10) 0.772(3) 0.200(3) 0.105(6) Uani 0.258(14) 1 d D U P A 2
H38C H 0.4385 0.7277 0.1999 0.126 Uiso 0.258(14) 1 calc R U P A 2
H38D H 0.4195 0.7947 0.1463 0.126 Uiso 0.258(14) 1 calc R U P A 2
C39' C 0.4452(10) 0.824(3) 0.259(3) 0.101(5) Uani 0.258(14) 1 d D U P A 2
H39C H 0.4527 0.8652 0.2361 0.121 Uiso 0.258(14) 1 calc R U P A 2
H39D H 0.4627 0.8001 0.3023 0.121 Uiso 0.258(14) 1 calc R U P A 2
C40' C 0.4185(11) 0.849(3) 0.288(4) 0.090(4) Uani 0.258(14) 1 d D U P A 2
H40C H 0.4279 0.8592 0.3452 0.108 Uiso 0.258(14) 1 calc R U P A 2
H40D H 0.4095 0.8951 0.2602 0.108 Uiso 0.258(14) 1 calc R U P A 2
C53 C 0.26093(15) 0.9292(4) 0.4621(4) 0.0351(15) Uani 1 1 d . . . . .
C54 C 0.25079(15) 0.8562(4) 0.4573(4) 0.0372(15) Uani 1 1 d . . . . .
H54 H 0.2476 0.8357 0.5015 0.045 Uiso 1 1 calc R U . . .
C55 C 0.24526(15) 0.8124(4) 0.3911(4) 0.0381(15) Uani 1 1 d . . . . .
H55 H 0.2384 0.7631 0.3905 0.046 Uiso 1 1 calc R U . . .
C56 C 0.24971(14) 0.8404(4) 0.3257(4) 0.0382(15) Uani 1 1 d . . . . .
H56 H 0.2461 0.8107 0.2801 0.046 Uiso 1 1 calc R U . . .
C57 C 0.25953(15) 0.9122(4) 0.3282(4) 0.0396(16) Uani 1 1 d . . . . .
H57 H 0.2627 0.9321 0.2837 0.048 Uiso 1 1 calc R U . . .
C58 C 0.26488(15) 0.9555(4) 0.3944(4) 0.0392(16) Uani 1 1 d . . . . .
H58 H 0.2715 1.0050 0.3940 0.047 Uiso 1 1 calc R U . . .
C59 C 0.29495(18) 1.0391(4) 0.5469(4) 0.0460(18) Uani 1 1 d . . . . .
C60 C 0.3259(2) 1.0180(5) 0.5763(5) 0.062(2) Uani 1 1 d . . . . .
H60 H 0.3313 0.9708 0.6000 0.075 Uiso 1 1 calc R U . . .
C61 C 0.3494(2) 1.0635(7) 0.5723(6) 0.088(3) Uani 1 1 d . . . . .
H61 H 0.3702 1.0467 0.5924 0.106 Uiso 1 1 calc R U . . .
C62 C 0.3422(3) 1.1327(7) 0.5391(7) 0.099(4) Uani 1 1 d . . . . .
H62 H 0.3579 1.1640 0.5358 0.118 Uiso 1 1 calc R U . . .
C63 C 0.3123(3) 1.1554(5) 0.5111(6) 0.087(3) Uani 1 1 d . . . . .
H63 H 0.3072 1.2033 0.4890 0.104 Uiso 1 1 calc R U . . .
C64 C 0.2892(2) 1.1099(4) 0.5141(5) 0.061(2) Uani 1 1 d . . . . .
H64 H 0.2685 1.1274 0.4931 0.074 Uiso 1 1 calc R U . . .
C65 C 0.23531(17) 1.0296(3) 0.5295(4) 0.0407(17) Uani 1 1 d . . . . .
C66 C 0.23571(19) 1.0873(4) 0.5802(5) 0.0518(19) Uani 1 1 d . . . . .
H66 H 0.2547 1.0993 0.6223 0.062 Uiso 1 1 calc R U . . .
C67 C 0.2095(2) 1.1284(4) 0.5719(5) 0.062(2) Uani 1 1 d . . . . .
H67 H 0.2110 1.1678 0.6075 0.074 Uiso 1 1 calc R U . . .
C68 C 0.1814(2) 1.1120(5) 0.5125(5) 0.062(2) Uani 1 1 d . . . . .
H68 H 0.1635 1.1397 0.5068 0.074 Uiso 1 1 calc R U . . .
C69 C 0.17988(18) 1.0551(4) 0.4616(5) 0.053(2) Uani 1 1 d . . . . .
H69 H 0.1607 1.0428 0.4206 0.064 Uiso 1 1 calc R U . . .
C70 C 0.20640(17) 1.0150(4) 0.4697(4) 0.0451(17) Uani 1 1 d . . . . .
H70 H 0.2047 0.9763 0.4332 0.054 Uiso 1 1 calc R U . . .
C71 C 0.27611(16) 0.9294(4) 0.6210(4) 0.0406(16) Uani 1 1 d . . . . .
C72 C 0.26201(17) 0.9347(4) 0.6767(4) 0.0451(17) Uani 1 1 d . . . . .
H72 H 0.2462 0.9703 0.6686 0.054 Uiso 1 1 calc R U . . .
C73 C 0.27063(19) 0.8892(4) 0.7436(4) 0.054(2) Uani 1 1 d . . . . .
H73 H 0.2606 0.8949 0.7797 0.065 Uiso 1 1 calc R U . . .
C74 C 0.2930(2) 0.8368(5) 0.7584(5) 0.060(2) Uani 1 1 d . . . . .
H74 H 0.2987 0.8065 0.8043 0.072 Uiso 1 1 calc R U . . .
C75 C 0.30716(19) 0.8288(4) 0.7052(4) 0.056(2) Uani 1 1 d . . . . .
H75 H 0.3228 0.7926 0.7144 0.067 Uiso 1 1 calc R U . . .
C76 C 0.29863(17) 0.8732(4) 0.6383(4) 0.0469(18) Uani 1 1 d . . . . .
H76 H 0.3085 0.8654 0.6021 0.056 Uiso 1 1 calc R U . . .
B1 B 0.26658(19) 0.9817(4) 0.5411(5) 0.0399(18) Uani 1 1 d . . . . .
O1S' O 0.6118(7) 0.7220(15) 0.4929(18) 0.106(5) Uani 0.426(15) 1 d . U P D 2
C1S' C 0.6247(9) 0.729(2) 0.575(3) 0.106(6) Uani 0.426(15) 1 d . U P D 2
H1SA H 0.6309 0.7802 0.5900 0.127 Uiso 0.426(15) 1 calc R U P D 2
H1SB H 0.6432 0.6968 0.5971 0.127 Uiso 0.426(15) 1 calc R U P D 2
C2S' C 0.5979(12) 0.702(3) 0.607(3) 0.106(7) Uani 0.426(15) 1 d . . P D 2
H2SA H 0.6057 0.6666 0.6514 0.127 Uiso 0.426(15) 1 calc R U P D 2
H2SB H 0.5878 0.7444 0.6222 0.127 Uiso 0.426(15) 1 calc R U P D 2
C3S' C 0.5770(8) 0.666(2) 0.528(2) 0.120(9) Uani 0.426(15) 1 d . U P D 2
H3SA H 0.5552 0.6725 0.5222 0.144 Uiso 0.426(15) 1 calc R U P D 2
H3SB H 0.5814 0.6129 0.5318 0.144 Uiso 0.426(15) 1 calc R U P D 2
C4S' C 0.5803(7) 0.6975(17) 0.448(2) 0.116(6) Uani 0.426(15) 1 d . . P D 2
H4SA H 0.5788 0.6585 0.4085 0.140 Uiso 0.426(15) 1 calc R U P D 2
H4SB H 0.5659 0.7384 0.4223 0.140 Uiso 0.426(15) 1 calc R U P D 2
O1S O 0.3897(5) 0.2495(11) 0.4915(14) 0.106(5) Uani 0.574(15) 1 d . U P D 1
C1S C 0.3671(6) 0.2393(14) 0.4125(16) 0.106(6) Uani 0.574(15) 1 d . U P D 1
H1SC H 0.3460 0.2380 0.4123 0.127 Uiso 0.574(15) 1 calc R U P D 1
H1SD H 0.3710 0.1931 0.3890 0.127 Uiso 0.574(15) 1 calc R U P D 1
C2S C 0.3713(5) 0.3023(12) 0.3703(15) 0.106(7) Uani 0.574(15) 1 d . . P D 1
H2SC H 0.3650 0.2915 0.3129 0.127 Uiso 0.574(15) 1 calc R U P D 1
H2SD H 0.3593 0.3451 0.3768 0.127 Uiso 0.574(15) 1 calc R U P D 1
C3S C 0.4033(9) 0.315(2) 0.407(2) 0.120(9) Uani 0.574(15) 1 d . U P D 1
H3SC H 0.4076 0.3683 0.4041 0.144 Uiso 0.574(15) 1 calc R U P D 1
H3SD H 0.4141 0.2878 0.3779 0.144 Uiso 0.574(15) 1 calc R U P D 1
C4S C 0.4149(6) 0.2919(14) 0.4881(17) 0.116(6) Uani 0.574(15) 1 d . U P D 1
H4SC H 0.4196 0.3346 0.5246 0.140 Uiso 0.574(15) 1 calc R U P D 1
H4SD H 0.4338 0.2614 0.5012 0.140 Uiso 0.574(15) 1 calc R U P D 1
C5S C 0.5000 0.8125(17) 0.2500 0.084(8) Uani 0.5 2 d S TU P . .
H5S H 0.5000 0.7602 0.2500 0.101 Uiso 0.5 2 calc R U P . .
C6S C 0.5065(4) 0.8508(11) 0.3186(12) 0.079(5) Uani 0.5 1 d . U P . .
H6S H 0.5105 0.8238 0.3662 0.095 Uiso 0.5 1 calc R U P . .
C7S C 0.5075(5) 0.9288(14) 0.3229(15) 0.099(7) Uani 0.5 1 d . U P . .
H7S H 0.5128 0.9558 0.3710 0.119 Uiso 0.5 1 calc R U P . .
C8S C 0.5000 0.961(2) 0.2500 0.114(11) Uani 0.5 2 d S TU P . .
H8S H 0.5000 1.0132 0.2500 0.136 Uiso 0.5 2 calc R U P . .


_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
Dy1 O1 2.093(5) . ?
Dy1 O2 2.108(5) . ?
Dy1 O4 2.405(5) . ?
Dy1 O5 2.410(5) . ?
Dy1 O6 2.331(5) . ?
Dy1 O3 2.357(7) . ?
Dy1 O3' 2.367(16) . ?
Si1 O1 1.587(5) . ?
Si1 C1 1.880(7) . ?
Si1 C7 1.949(7) . ?
Si1 C13 1.865(6) . ?
Si1 C1' 1.933(14) . ?
Si1 C7' 1.970(13) . ?
Si1 C13' 1.920(15) . ?
Si2 O2 1.596(5) . ?
Si2 C19 1.879(7) . ?
Si2 C25 1.864(7) . ?
Si2 C31 1.867(7) . ?
O4 C41 1.460(8) . ?
O4 C44 1.464(9) . ?
O5 C45 1.455(9) . ?
O5 C48 1.478(9) . ?
O6 C49 1.450(8) . ?
O6 C52 1.447(9) . ?
C19 C20 1.384(10) . ?
C19 C24 1.392(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.377(10) . ?
C21 H21 0.9500 . ?
C21 C22 1.364(11) . ?
C22 H22 0.9500 . ?
C22 C23 1.387(13) . ?
C23 H23 0.9500 . ?
C23 C24 1.403(11) . ?
C24 H24 0.9500 . ?
C25 C26 1.413(9) . ?
C25 C30 1.408(10) . ?
C26 H26 0.9500 . ?
C26 C27 1.379(11) . ?
C27 H27 0.9500 . ?
C27 C28 1.365(12) . ?
C28 H28 0.9500 . ?
C28 C29 1.368(11) . ?
C29 H29 0.9500 . ?
C29 C30 1.394(11) . ?
C30 H30 0.9500 . ?
C31 C32' 1.44(2) . ?
C31 C36' 1.37(4) . ?
C31 C32 1.35(2) . ?
C31 C36 1.40(3) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C41 C42 1.473(12) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 C43 1.513(12) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C43 C44 1.497(11) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C46 1.514(12) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 C47 1.504(12) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C47 C48 1.490(12) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 C50 1.519(10) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C50 C51 1.502(11) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C51 C52 1.468(11) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
O3 C37 1.481(14) . ?
O3 C40 1.404(13) . ?
C1 C6 1.3900 . ?
C1 C2 1.3900 . ?
C6 H6 0.9500 . ?
C6 C5 1.3900 . ?
C5 H5 0.9500 . ?
C5 C4 1.3900 . ?
C4 H4 0.9500 . ?
C4 C3 1.3900 . ?
C3 H3 0.9500 . ?
C3 C2 1.3900 . ?
C2 H2 0.9500 . ?
C7 C8 1.3900 . ?
C7 C12 1.3900 . ?
C8 H8 0.9500 . ?
C8 C9 1.3900 . ?
C9 H9 0.9500 . ?
C9 C10 1.3900 . ?
C10 H10 0.9500 . ?
C10 C11 1.3900 . ?
C11 H11 0.9500 . ?
C11 C12 1.3900 . ?
C12 H12 0.9500 . ?
C13 C14 1.3900 . ?
C13 C18 1.3900 . ?
C14 H14 0.9500 . ?
C14 C15 1.3900 . ?
C15 H15 0.9500 . ?
C15 C16 1.3900 . ?
C16 H16 0.9500 . ?
C16 C17 1.3900 . ?
C17 H17 0.9500 . ?
C17 C18 1.3900 . ?
C18 H18 0.9500 . ?
C32' H32' 0.9500 . ?
C32' C33' 1.36(3) . ?
C33' H33' 0.9500 . ?
C33' C34' 1.30(3) . ?
C34' H34' 0.9500 . ?
C34' C35' 1.43(4) . ?
C35' H35' 0.9500 . ?
C35' C36' 1.43(5) . ?
C36' H36' 0.9500 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C38 1.480(15) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 C39 1.442(19) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C40 1.575(19) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
O3' C37' 1.50(2) . ?
O3' C40' 1.41(2) . ?
C1' C6' 1.3900 . ?
C1' C2' 1.3900 . ?
C6' H6' 0.9500 . ?
C6' C5' 1.3900 . ?
C5' H5' 0.9500 . ?
C5' C4' 1.3900 . ?
C4' H4' 0.9500 . ?
C4' C3' 1.3900 . ?
C3' H3' 0.9500 . ?
C3' C2' 1.3900 . ?
C2' H2' 0.9500 . ?
C8' H8' 0.9500 . ?
C8' C9' 1.3900 . ?
C8' C7' 1.3900 . ?
C9' H9' 0.9500 . ?
C9' C10' 1.3900 . ?
C10' H10' 0.9500 . ?
C10' C11' 1.3900 . ?
C11' H11' 0.9500 . ?
C11' C12' 1.3900 . ?
C12' H12' 0.9500 . ?
C12' C7' 1.3900 . ?
C13' C14' 1.3900 . ?
C13' C18' 1.3900 . ?
C14' H14' 0.9500 . ?
C14' C15' 1.3900 . ?
C15' H15' 0.9500 . ?
C15' C16' 1.3900 . ?
C16' H16' 0.9500 . ?
C16' C17' 1.3900 . ?
C17' H17' 0.9500 . ?
C17' C18' 1.3900 . ?
C18' H18' 0.9500 . ?
C32 H32 0.9500 . ?
C32 C33 1.47(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.36(3) . ?
C34 H34 0.9500 . ?
C34 C35 1.21(3) . ?
C35 H35 0.9500 . ?
C35 C36 1.41(4) . ?
C36 H36 0.9500 . ?
C37' H37C 0.9900 . ?
C37' H37D 0.9900 . ?
C37' C38' 1.49(2) . ?
C38' H38C 0.9900 . ?
C38' H38D 0.9900 . ?
C38' C39' 1.47(2) . ?
C39' H39C 0.9900 . ?
C39' H39D 0.9900 . ?
C39' C40' 1.58(3) . ?
C40' H40C 0.9900 . ?
C40' H40D 0.9900 . ?
C53 C54 1.399(9) . ?
C53 C58 1.400(8) . ?
C53 B1 1.660(9) . ?
C54 H54 0.9500 . ?
C54 C55 1.384(9) . ?
C55 H55 0.9500 . ?
C55 C56 1.382(9) . ?
C56 H56 0.9500 . ?
C56 C57 1.377(9) . ?
C57 H57 0.9500 . ?
C57 C58 1.380(9) . ?
C58 H58 0.9500 . ?
C59 C60 1.394(11) . ?
C59 C64 1.398(11) . ?
C59 B1 1.661(10) . ?
C60 H60 0.9500 . ?
C60 C61 1.398(12) . ?
C61 H61 0.9500 . ?
C61 C62 1.380(16) . ?
C62 H62 0.9500 . ?
C62 C63 1.359(16) . ?
C63 H63 0.9500 . ?
C63 C64 1.379(11) . ?
C64 H64 0.9500 . ?
C65 C66 1.393(9) . ?
C65 C70 1.399(10) . ?
C65 B1 1.646(11) . ?
C66 H66 0.9500 . ?
C66 C67 1.396(11) . ?
C67 H67 0.9500 . ?
C67 C68 1.376(12) . ?
C68 H68 0.9500 . ?
C68 C69 1.372(11) . ?
C69 H69 0.9500 . ?
C69 C70 1.398(10) . ?
C70 H70 0.9500 . ?
C71 C72 1.412(9) . ?
C71 C76 1.413(10) . ?
C71 B1 1.649(10) . ?
C72 H72 0.9500 . ?
C72 C73 1.397(10) . ?
C73 H73 0.9500 . ?
C73 C74 1.363(11) . ?
C74 H74 0.9500 . ?
C74 C75 1.375(11) . ?
C75 H75 0.9500 . ?
C75 C76 1.387(10) . ?
C76 H76 0.9500 . ?
O1S' C1S' 1.38(5) . ?
O1S' C4S' 1.46(4) . ?
C1S' H1SA 0.9900 . ?
C1S' H1SB 0.9900 . ?
C1S' C2S' 1.65(6) . ?
C2S' H2SA 0.9900 . ?
C2S' H2SB 0.9900 . ?
C2S' C3S' 1.54(6) . ?
C3S' H3SA 0.9900 . ?
C3S' H3SB 0.9900 . ?
C3S' C4S' 1.63(5) . ?
C4S' H4SA 0.9900 . ?
C4S' H4SB 0.9900 . ?
O1S C1S 1.43(3) . ?
O1S C4S 1.43(3) . ?
C1S H1SC 0.9900 . ?
C1S H1SD 0.9900 . ?
C1S C2S 1.43(3) . ?
C2S H2SC 0.9900 . ?
C2S H2SD 0.9900 . ?
C2S C3S 1.41(4) . ?
C3S H3SC 0.9900 . ?
C3S H3SD 0.9900 . ?
C3S C4S 1.43(5) . ?
C4S H4SC 0.9900 . ?
C4S H4SD 0.9900 . ?
C5S H5S 0.9500 . ?
C5S C6S 1.36(2) 2_655 ?
C5S C6S 1.36(2) . ?
C6S H6S 0.9500 . ?
C6S C7S 1.42(3) . ?
C7S H7S 0.9500 . ?
C7S C8S 1.37(3) . ?
C8S C7S 1.37(3) 2_655 ?
C8S H8S 0.9500 . ?

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
O1 Dy1 O2 102.61(19) . . ?
O1 Dy1 O4 86.69(19) . . ?
O1 Dy1 O5 166.75(18) . . ?
O1 Dy1 O6 99.51(19) . . ?
O1 Dy1 O3 89.2(4) . . ?
O1 Dy1 O3' 97.7(12) . . ?
O2 Dy1 O4 170.70(18) . . ?
O2 Dy1 O5 89.68(18) . . ?
O2 Dy1 O6 94.58(18) . . ?
O2 Dy1 O3 94.2(5) . . ?
O2 Dy1 O3' 90.9(15) . . ?
O4 Dy1 O5 81.09(17) . . ?
O6 Dy1 O4 83.39(17) . . ?
O6 Dy1 O5 84.23(18) . . ?
O6 Dy1 O3 166.0(5) . . ?
O6 Dy1 O3' 160.3(15) . . ?
O3 Dy1 O4 86.2(5) . . ?
O3 Dy1 O5 85.0(4) . . ?
O3' Dy1 O4 88.2(15) . . ?
O3' Dy1 O5 76.9(13) . . ?
O1 Si1 C1 109.3(4) . . ?
O1 Si1 C7 104.8(4) . . ?
O1 Si1 C13 110.9(3) . . ?
O1 Si1 C1' 112.4(11) . . ?
O1 Si1 C7' 120.5(9) . . ?
O1 Si1 C13' 97.8(10) . . ?
C1 Si1 C7 112.1(5) . . ?
C13 Si1 C1 111.2(4) . . ?
C13 Si1 C7 108.4(4) . . ?
C1' Si1 C7' 104.4(14) . . ?
C13' Si1 C1' 94.0(14) . . ?
C13' Si1 C7' 124.8(12) . . ?
O2 Si2 C19 109.7(3) . . ?
O2 Si2 C25 109.3(3) . . ?
O2 Si2 C31 111.3(3) . . ?
C25 Si2 C19 108.8(3) . . ?
C25 Si2 C31 110.2(3) . . ?
C31 Si2 C19 107.5(3) . . ?
Si1 O1 Dy1 176.6(3) . . ?
Si2 O2 Dy1 172.2(3) . . ?
C41 O4 Dy1 128.1(4) . . ?
C41 O4 C44 107.4(6) . . ?
C44 O4 Dy1 121.6(4) . . ?
C45 O5 Dy1 126.8(4) . . ?
C45 O5 C48 106.1(6) . . ?
C48 O5 Dy1 126.5(4) . . ?
C49 O6 Dy1 132.7(4) . . ?
C52 O6 Dy1 120.7(4) . . ?
C52 O6 C49 105.5(5) . . ?
C20 C19 Si2 123.0(5) . . ?
C20 C19 C24 116.2(7) . . ?
C24 C19 Si2 120.9(6) . . ?
C19 C20 H20 118.7 . . ?
C21 C20 C19 122.7(7) . . ?
C21 C20 H20 118.7 . . ?
C20 C21 H21 119.4 . . ?
C22 C21 C20 121.2(8) . . ?
C22 C21 H21 119.4 . . ?
C21 C22 H22 120.9 . . ?
C21 C22 C23 118.2(8) . . ?
C23 C22 H22 120.9 . . ?
C22 C23 H23 119.8 . . ?
C22 C23 C24 120.4(8) . . ?
C24 C23 H23 119.8 . . ?
C19 C24 C23 121.4(8) . . ?
C19 C24 H24 119.3 . . ?
C23 C24 H24 119.3 . . ?
C26 C25 Si2 122.8(5) . . ?
C30 C25 Si2 121.4(5) . . ?
C30 C25 C26 115.4(7) . . ?
C25 C26 H26 118.9 . . ?
C27 C26 C25 122.1(7) . . ?
C27 C26 H26 118.9 . . ?
C26 C27 H27 119.7 . . ?
C28 C27 C26 120.7(8) . . ?
C28 C27 H27 119.7 . . ?
C27 C28 H28 120.2 . . ?
C27 C28 C29 119.6(8) . . ?
C29 C28 H28 120.2 . . ?
C28 C29 H29 119.7 . . ?
C28 C29 C30 120.6(8) . . ?
C30 C29 H29 119.7 . . ?
C25 C30 H30 119.2 . . ?
C29 C30 C25 121.5(7) . . ?
C29 C30 H30 119.2 . . ?
C32' C31 Si2 116.4(11) . . ?
C36' C31 Si2 126.1(16) . . ?
C36' C31 C32' 113.1(19) . . ?
C32 C31 Si2 119.4(11) . . ?
C32 C31 C36 112.4(17) . . ?
C36 C31 Si2 122.5(15) . . ?
O4 C41 H41A 111.1 . . ?
O4 C41 H41B 111.1 . . ?
O4 C41 C42 103.5(7) . . ?
H41A C41 H41B 109.0 . . ?
C42 C41 H41A 111.1 . . ?
C42 C41 H41B 111.1 . . ?
C41 C42 H42A 111.2 . . ?
C41 C42 H42B 111.2 . . ?
C41 C42 C43 102.9(7) . . ?
H42A C42 H42B 109.1 . . ?
C43 C42 H42A 111.2 . . ?
C43 C42 H42B 111.2 . . ?
C42 C43 H43A 110.9 . . ?
C42 C43 H43B 110.9 . . ?
H43A C43 H43B 109.0 . . ?
C44 C43 C42 104.0(7) . . ?
C44 C43 H43A 110.9 . . ?
C44 C43 H43B 110.9 . . ?
O4 C44 C43 106.3(6) . . ?
O4 C44 H44A 110.5 . . ?
O4 C44 H44B 110.5 . . ?
C43 C44 H44A 110.5 . . ?
C43 C44 H44B 110.5 . . ?
H44A C44 H44B 108.7 . . ?
O5 C45 H45A 110.4 . . ?
O5 C45 H45B 110.4 . . ?
O5 C45 C46 106.7(7) . . ?
H45A C45 H45B 108.6 . . ?
C46 C45 H45A 110.4 . . ?
C46 C45 H45B 110.4 . . ?
C45 C46 H46A 110.6 . . ?
C45 C46 H46B 110.6 . . ?
H46A C46 H46B 108.7 . . ?
C47 C46 C45 105.6(7) . . ?
C47 C46 H46A 110.6 . . ?
C47 C46 H46B 110.6 . . ?
C46 C47 H47A 111.0 . . ?
C46 C47 H47B 111.0 . . ?
H47A C47 H47B 109.0 . . ?
C48 C47 C46 103.9(8) . . ?
C48 C47 H47A 111.0 . . ?
C48 C47 H47B 111.0 . . ?
O5 C48 C47 103.9(6) . . ?
O5 C48 H48A 111.0 . . ?
O5 C48 H48B 111.0 . . ?
C47 C48 H48A 111.0 . . ?
C47 C48 H48B 111.0 . . ?
H48A C48 H48B 109.0 . . ?
O6 C49 H49A 110.7 . . ?
O6 C49 H49B 110.7 . . ?
O6 C49 C50 105.3(6) . . ?
H49A C49 H49B 108.8 . . ?
C50 C49 H49A 110.7 . . ?
C50 C49 H49B 110.7 . . ?
C49 C50 H50A 110.9 . . ?
C49 C50 H50B 110.9 . . ?
H50A C50 H50B 108.9 . . ?
C51 C50 C49 104.4(6) . . ?
C51 C50 H50A 110.9 . . ?
C51 C50 H50B 110.9 . . ?
C50 C51 H51A 110.7 . . ?
C50 C51 H51B 110.7 . . ?
H51A C51 H51B 108.8 . . ?
C52 C51 C50 105.4(7) . . ?
C52 C51 H51A 110.7 . . ?
C52 C51 H51B 110.7 . . ?
O6 C52 C51 103.2(7) . . ?
O6 C52 H52A 111.1 . . ?
O6 C52 H52B 111.1 . . ?
C51 C52 H52A 111.1 . . ?
C51 C52 H52B 111.1 . . ?
H52A C52 H52B 109.1 . . ?
C37 O3 Dy1 123.6(9) . . ?
C40 O3 Dy1 124.5(9) . . ?
C40 O3 C37 111.8(10) . . ?
C6 C1 Si1 115.6(6) . . ?
C6 C1 C2 120.0 . . ?
C2 C1 Si1 124.0(6) . . ?
C1 C6 H6 120.0 . . ?
C5 C6 C1 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C5 H5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C4 H4 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C3 H3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C2 C3 H3 120.0 . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.0 . . ?
C3 C2 H2 120.0 . . ?
C8 C7 Si1 116.6(6) . . ?
C8 C7 C12 120.0 . . ?
C12 C7 Si1 123.3(6) . . ?
C7 C8 H8 120.0 . . ?
C7 C8 C9 120.0 . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0 . . ?
C12 C11 H11 120.0 . . ?
C7 C12 H12 120.0 . . ?
C11 C12 C7 120.0 . . ?
C11 C12 H12 120.0 . . ?
C14 C13 Si1 124.0(5) . . ?
C14 C13 C18 120.0 . . ?
C18 C13 Si1 116.0(5) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 120.0 . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 120.0 . . ?
C14 C15 C16 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 C15 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 120.0 . . ?
C16 C17 C18 120.0 . . ?
C18 C17 H17 120.0 . . ?
C13 C18 H18 120.0 . . ?
C17 C18 C13 120.0 . . ?
C17 C18 H18 120.0 . . ?
C31 C32' H32' 119.2 . . ?
C33' C32' C31 122(2) . . ?
C33' C32' H32' 119.2 . . ?
C32' C33' H33' 119.6 . . ?
C34' C33' C32' 121(2) . . ?
C34' C33' H33' 119.6 . . ?
C33' C34' H34' 121.2 . . ?
C33' C34' C35' 118(2) . . ?
C35' C34' H34' 121.2 . . ?
C34' C35' H35' 119.3 . . ?
C36' C35' C34' 121(3) . . ?
C36' C35' H35' 119.3 . . ?
C31 C36' C35' 117(3) . . ?
C31 C36' H36' 121.3 . . ?
C35' C36' H36' 121.3 . . ?
O3 C37 H37A 110.7 . . ?
O3 C37 H37B 110.7 . . ?
O3 C37 C38 105.3(13) . . ?
H37A C37 H37B 108.8 . . ?
C38 C37 H37A 110.7 . . ?
C38 C37 H37B 110.7 . . ?
C37 C38 H38A 111.6 . . ?
C37 C38 H38B 111.6 . . ?
H38A C38 H38B 109.4 . . ?
C39 C38 C37 100.7(13) . . ?
C39 C38 H38A 111.6 . . ?
C39 C38 H38B 111.6 . . ?
C38 C39 H39A 110.4 . . ?
C38 C39 H39B 110.4 . . ?
C38 C39 C40 106.6(13) . . ?
H39A C39 H39B 108.6 . . ?
C40 C39 H39A 110.4 . . ?
C40 C39 H39B 110.4 . . ?
O3 C40 C39 100.1(11) . . ?
O3 C40 H40A 111.7 . . ?
O3 C40 H40B 111.7 . . ?
C39 C40 H40A 111.7 . . ?
C39 C40 H40B 111.7 . . ?
H40A C40 H40B 109.5 . . ?
C37' O3' Dy1 130(3) . . ?
C40' O3' Dy1 123(3) . . ?
C40' O3' C37' 102(3) . . ?
C6' C1' Si1 130.4(19) . . ?
C6' C1' C2' 120.0 . . ?
C2' C1' Si1 109.6(19) . . ?
C1' C6' H6' 120.0 . . ?
C5' C6' C1' 120.0 . . ?
C5' C6' H6' 120.0 . . ?
C6' C5' H5' 120.0 . . ?
C6' C5' C4' 120.0 . . ?
C4' C5' H5' 120.0 . . ?
C5' C4' H4' 120.0 . . ?
C3' C4' C5' 120.0 . . ?
C3' C4' H4' 120.0 . . ?
C4' C3' H3' 120.0 . . ?
C2' C3' C4' 120.0 . . ?
C2' C3' H3' 120.0 . . ?
C1' C2' H2' 120.0 . . ?
C3' C2' C1' 120.0 . . ?
C3' C2' H2' 120.0 . . ?
C9' C8' H8' 120.0 . . ?
C9' C8' C7' 120.0 . . ?
C7' C8' H8' 120.0 . . ?
C8' C9' H9' 120.0 . . ?
C8' C9' C10' 120.0 . . ?
C10' C9' H9' 120.0 . . ?
C9' C10' H10' 120.0 . . ?
C11' C10' C9' 120.0 . . ?
C11' C10' H10' 120.0 . . ?
C10' C11' H11' 120.0 . . ?
C10' C11' C12' 120.0 . . ?
C12' C11' H11' 120.0 . . ?
C11' C12' H12' 120.0 . . ?
C11' C12' C7' 120.0 . . ?
C7' C12' H12' 120.0 . . ?
C8' C7' Si1 126.0(15) . . ?
C12' C7' Si1 113.9(15) . . ?
C12' C7' C8' 120.0 . . ?
C14' C13' Si1 106.6(15) . . ?
C14' C13' C18' 120.0 . . ?
C18' C13' Si1 133.1(15) . . ?
C13' C14' H14' 120.0 . . ?
C13' C14' C15' 120.0 . . ?
C15' C14' H14' 120.0 . . ?
C14' C15' H15' 120.0 . . ?
C16' C15' C14' 120.0 . . ?
C16' C15' H15' 120.0 . . ?
C15' C16' H16' 120.0 . . ?
C15' C16' C17' 120.0 . . ?
C17' C16' H16' 120.0 . . ?
C16' C17' H17' 120.0 . . ?
C18' C17' C16' 120.0 . . ?
C18' C17' H17' 120.0 . . ?
C13' C18' H18' 120.0 . . ?
C17' C18' C13' 120.0 . . ?
C17' C18' H18' 120.0 . . ?
C31 C32 H32 120.5 . . ?
C31 C32 C33 119(2) . . ?
C33 C32 H32 120.5 . . ?
C32 C33 H33 120.4 . . ?
C34 C33 C32 119(2) . . ?
C34 C33 H33 120.4 . . ?
C33 C34 H34 119.4 . . ?
C35 C34 C33 121(2) . . ?
C35 C34 H34 119.4 . . ?
C34 C35 H35 119.6 . . ?
C34 C35 C36 121(3) . . ?
C36 C35 H35 119.6 . . ?
C31 C36 C35 123(3) . . ?
C31 C36 H36 118.3 . . ?
C35 C36 H36 118.3 . . ?
O3' C37' H37C 110.1 . . ?
O3' C37' H37D 110.1 . . ?
H37C C37' H37D 108.4 . . ?
C38' C37' O3' 108(3) . . ?
C38' C37' H37C 110.1 . . ?
C38' C37' H37D 110.1 . . ?
C37' C38' H38C 109.0 . . ?
C37' C38' H38D 109.0 . . ?
H38C C38' H38D 107.8 . . ?
C39' C38' C37' 113(4) . . ?
C39' C38' H38C 109.0 . . ?
C39' C38' H38D 109.0 . . ?
C38' C39' H39C 112.7 . . ?
C38' C39' H39D 112.7 . . ?
C38' C39' C40' 95(4) . . ?
H39C C39' H39D 110.2 . . ?
C40' C39' H39C 112.7 . . ?
C40' C39' H39D 112.7 . . ?
O3' C40' C39' 116(4) . . ?
O3' C40' H40C 108.2 . . ?
O3' C40' H40D 108.2 . . ?
C39' C40' H40C 108.2 . . ?
C39' C40' H40D 108.2 . . ?
H40C C40' H40D 107.3 . . ?
C54 C53 C58 115.2(6) . . ?
C54 C53 B1 122.3(5) . . ?
C58 C53 B1 122.5(6) . . ?
C53 C54 H54 118.6 . . ?
C55 C54 C53 122.9(6) . . ?
C55 C54 H54 118.6 . . ?
C54 C55 H55 119.9 . . ?
C56 C55 C54 120.1(6) . . ?
C56 C55 H55 119.9 . . ?
C55 C56 H56 120.7 . . ?
C57 C56 C55 118.6(6) . . ?
C57 C56 H56 120.7 . . ?
C56 C57 H57 119.5 . . ?
C56 C57 C58 120.9(6) . . ?
C58 C57 H57 119.5 . . ?
C53 C58 H58 118.8 . . ?
C57 C58 C53 122.3(6) . . ?
C57 C58 H58 118.8 . . ?
C60 C59 C64 114.7(7) . . ?
C60 C59 B1 122.8(7) . . ?
C64 C59 B1 122.1(7) . . ?
C59 C60 H60 118.6 . . ?
C59 C60 C61 122.7(9) . . ?
C61 C60 H60 118.6 . . ?
C60 C61 H61 120.1 . . ?
C62 C61 C60 119.8(11) . . ?
C62 C61 H61 120.1 . . ?
C61 C62 H62 120.6 . . ?
C63 C62 C61 118.8(9) . . ?
C63 C62 H62 120.6 . . ?
C62 C63 H63 119.4 . . ?
C62 C63 C64 121.1(10) . . ?
C64 C63 H63 119.4 . . ?
C59 C64 H64 118.6 . . ?
C63 C64 C59 122.8(10) . . ?
C63 C64 H64 118.6 . . ?
C66 C65 C70 114.9(7) . . ?
C66 C65 B1 121.9(7) . . ?
C70 C65 B1 123.2(6) . . ?
C65 C66 H66 118.5 . . ?
C65 C66 C67 122.9(8) . . ?
C67 C66 H66 118.5 . . ?
C66 C67 H67 119.8 . . ?
C68 C67 C66 120.3(8) . . ?
C68 C67 H67 119.8 . . ?
C67 C68 H68 120.6 . . ?
C69 C68 C67 118.7(8) . . ?
C69 C68 H68 120.6 . . ?
C68 C69 H69 119.8 . . ?
C68 C69 C70 120.4(8) . . ?
C70 C69 H69 119.8 . . ?
C65 C70 H70 118.7 . . ?
C69 C70 C65 122.7(7) . . ?
C69 C70 H70 118.7 . . ?
C72 C71 C76 113.9(6) . . ?
C72 C71 B1 123.5(6) . . ?
C76 C71 B1 122.6(6) . . ?
C71 C72 H72 119.1 . . ?
C73 C72 C71 121.9(7) . . ?
C73 C72 H72 119.1 . . ?
C72 C73 H73 119.1 . . ?
C74 C73 C72 121.9(7) . . ?
C74 C73 H73 119.1 . . ?
C73 C74 H74 120.8 . . ?
C73 C74 C75 118.5(7) . . ?
C75 C74 H74 120.8 . . ?
C74 C75 H75 119.9 . . ?
C74 C75 C76 120.2(8) . . ?
C76 C75 H75 119.9 . . ?
C71 C76 H76 118.2 . . ?
C75 C76 C71 123.7(7) . . ?
C75 C76 H76 118.2 . . ?
C53 B1 C59 105.8(5) . . ?
C65 B1 C53 110.7(6) . . ?
C65 B1 C59 109.1(6) . . ?
C65 B1 C71 110.1(5) . . ?
C71 B1 C53 109.5(5) . . ?
C71 B1 C59 111.5(6) . . ?
C1S' O1S' C4S' 124(3) . . ?
O1S' C1S' H1SA 110.4 . . ?
O1S' C1S' H1SB 110.4 . . ?
O1S' C1S' C2S' 107(3) . . ?
H1SA C1S' H1SB 108.6 . . ?
C2S' C1S' H1SA 110.4 . . ?
C2S' C1S' H1SB 110.4 . . ?
C1S' C2S' H2SA 112.8 . . ?
C1S' C2S' H2SB 112.8 . . ?
H2SA C2S' H2SB 110.2 . . ?
C3S' C2S' C1S' 95(3) . . ?
C3S' C2S' H2SA 112.8 . . ?
C3S' C2S' H2SB 112.8 . . ?
C2S' C3S' H3SA 108.1 . . ?
C2S' C3S' H3SB 108.1 . . ?
C2S' C3S' C4S' 117(3) . . ?
H3SA C3S' H3SB 107.3 . . ?
C4S' C3S' H3SA 108.1 . . ?
C4S' C3S' H3SB 108.1 . . ?
O1S' C4S' C3S' 91(3) . . ?
O1S' C4S' H4SA 113.4 . . ?
O1S' C4S' H4SB 113.4 . . ?
C3S' C4S' H4SA 113.4 . . ?
C3S' C4S' H4SB 113.4 . . ?
H4SA C4S' H4SB 110.7 . . ?
C4S O1S C1S 109(2) . . ?
O1S C1S H1SC 111.0 . . ?
O1S C1S H1SD 111.0 . . ?
O1S C1S C2S 104(2) . . ?
H1SC C1S H1SD 109.0 . . ?
C2S C1S H1SC 111.0 . . ?
C2S C1S H1SD 111.0 . . ?
C1S C2S H2SC 111.2 . . ?
C1S C2S H2SD 111.2 . . ?
H2SC C2S H2SD 109.2 . . ?
C3S C2S C1S 103(3) . . ?
C3S C2S H2SC 111.2 . . ?
C3S C2S H2SD 111.2 . . ?
C2S C3S H3SC 109.5 . . ?
C2S C3S H3SD 109.5 . . ?
C2S C3S C4S 111(3) . . ?
H3SC C3S H3SD 108.1 . . ?
C4S C3S H3SC 109.5 . . ?
C4S C3S H3SD 109.5 . . ?
O1S C4S H4SC 111.3 . . ?
O1S C4S H4SD 111.3 . . ?
C3S C4S O1S 102(3) . . ?
C3S C4S H4SC 111.3 . . ?
C3S C4S H4SD 111.3 . . ?
H4SC C4S H4SD 109.2 . . ?
C6S C5S H5S 120.8 . . ?
C6S C5S H5S 120.8 2_655 . ?
C6S C5S C6S 118(3) 2_655 . ?
C5S C6S H6S 118.2 . . ?
C5S C6S C7S 124(2) . . ?
C7S C6S H6S 118.2 . . ?
C6S C7S H7S 123.8 . . ?
C8S C7S C6S 112(3) . . ?
C8S C7S H7S 123.8 . . ?
C7S C8S C7S 130(4) 2_655 . ?
C7S C8S H8S 115.2 2_655 . ?
C7S C8S H8S 115.2 . . ?

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
Dy1 O4 C41 C42 -129.2(6) . . . . ?
Dy1 O4 C44 C43 152.1(6) . . . . ?
Dy1 O5 C45 C46 -150.5(5) . . . . ?
Dy1 O5 C48 C47 135.8(6) . . . . ?
Dy1 O6 C49 C50 -137.4(5) . . . . ?
Dy1 O6 C52 C51 128.6(6) . . . . ?
Dy1 O3 C37 C38 -169.9(13) . . . . ?
Dy1 O3 C40 C39 -166.3(14) . . . . ?
Dy1 O3' C37' C38' -149(4) . . . . ?
Dy1 O3' C40' C39' 138(4) . . . . ?
Si1 C1 C6 C5 172.8(8) . . . . ?
Si1 C1 C2 C3 -172.1(8) . . . . ?
Si1 C7 C8 C9 177.7(8) . . . . ?
Si1 C7 C12 C11 -177.5(8) . . . . ?
Si1 C13 C14 C15 179.9(7) . . . . ?
Si1 C13 C18 C17 -180.0(6) . . . . ?
Si1 C1' C6' C5' 177(3) . . . . ?
Si1 C1' C2' C3' -178(2) . . . . ?
Si1 C13' C14' C15' 174(2) . . . . ?
Si1 C13' C18' C17' -173(3) . . . . ?
Si2 C19 C20 C21 -179.6(6) . . . . ?
Si2 C19 C24 C23 178.9(7) . . . . ?
Si2 C25 C26 C27 173.7(6) . . . . ?
Si2 C25 C30 C29 -172.2(7) . . . . ?
Si2 C31 C32' C33' -168(2) . . . . ?
Si2 C31 C36' C35' 178.5(16) . . . . ?
Si2 C31 C32 C33 -176.0(14) . . . . ?
Si2 C31 C36 C35 173.2(17) . . . . ?
O1 Si1 C1 C6 -166.3(7) . . . . ?
O1 Si1 C1 C2 6.1(8) . . . . ?
O1 Si1 C13 C14 -141.5(5) . . . . ?
O1 Si1 C13 C18 38.5(5) . . . . ?
O2 Si2 C19 C20 168.3(6) . . . . ?
O2 Si2 C19 C24 -12.2(7) . . . . ?
O2 Si2 C25 C26 -68.2(6) . . . . ?
O2 Si2 C25 C30 104.2(6) . . . . ?
O2 Si2 C31 C32' -38.0(13) . . . . ?
O2 Si2 C31 C36' 116.6(16) . . . . ?
O2 Si2 C31 C32 -71.1(13) . . . . ?
O2 Si2 C31 C36 137.5(14) . . . . ?
O4 C41 C42 C43 -40.0(9) . . . . ?
O5 C45 C46 C47 1.7(10) . . . . ?
O6 C49 C50 C51 -8.4(9) . . . . ?
C19 Si2 C25 C26 172.0(6) . . . . ?
C19 Si2 C25 C30 -15.5(7) . . . . ?
C19 Si2 C31 C32' 82.1(13) . . . . ?
C19 Si2 C31 C36' -123.3(16) . . . . ?
C19 Si2 C31 C32 49.0(13) . . . . ?
C19 Si2 C31 C36 -102.4(14) . . . . ?
C19 C20 C21 C22 0.0(12) . . . . ?
C20 C19 C24 C23 -1.5(12) . . . . ?
C20 C21 C22 C23 -0.1(13) . . . . ?
C21 C22 C23 C24 -0.7(15) . . . . ?
C22 C23 C24 C19 1.5(15) . . . . ?
C24 C19 C20 C21 0.8(11) . . . . ?
C25 Si2 C19 C20 -72.2(6) . . . . ?
C25 Si2 C19 C24 107.4(6) . . . . ?
C25 Si2 C31 C32' -159.4(12) . . . . ?
C25 Si2 C31 C36' -4.9(17) . . . . ?
C25 Si2 C31 C32 167.4(13) . . . . ?
C25 Si2 C31 C36 16.1(14) . . . . ?
C25 C26 C27 C28 -1.2(13) . . . . ?
C26 C25 C30 C29 0.8(11) . . . . ?
C26 C27 C28 C29 -0.1(15) . . . . ?
C27 C28 C29 C30 1.7(15) . . . . ?
C28 C29 C30 C25 -2.1(14) . . . . ?
C30 C25 C26 C27 0.8(11) . . . . ?
C31 Si2 C19 C20 47.2(7) . . . . ?
C31 Si2 C19 C24 -133.2(6) . . . . ?
C31 Si2 C25 C26 54.4(7) . . . . ?
C31 Si2 C25 C30 -133.2(6) . . . . ?
C31 C32' C33' C34' -21(4) . . . . ?
C31 C32 C33 C34 11(3) . . . . ?
C41 O4 C44 C43 -10.2(9) . . . . ?
C41 C42 C43 C44 33.7(10) . . . . ?
C42 C43 C44 O4 -14.6(10) . . . . ?
C44 O4 C41 C42 31.7(8) . . . . ?
C45 O5 C48 C47 -35.7(9) . . . . ?
C45 C46 C47 C48 -23.2(10) . . . . ?
C46 C47 C48 O5 36.0(9) . . . . ?
C48 O5 C45 C46 20.9(9) . . . . ?
C49 O6 C52 C51 -41.1(8) . . . . ?
C49 C50 C51 C52 -16.3(10) . . . . ?
C50 C51 C52 O6 35.1(10) . . . . ?
C52 O6 C49 C50 30.6(8) . . . . ?
O3 C37 C38 C39 -32.9(17) . . . . ?
C1 Si1 C13 C14 96.7(7) . . . . ?
C1 Si1 C13 C18 -83.3(6) . . . . ?
C1 C6 C5 C4 0.0 . . . . ?
C6 C1 C2 C3 0.0 . . . . ?
C6 C5 C4 C3 0.0 . . . . ?
C5 C4 C3 C2 0.0 . . . . ?
C4 C3 C2 C1 0.0 . . . . ?
C2 C1 C6 C5 0.0 . . . . ?
C7 Si1 C1 C6 78.0(8) . . . . ?
C7 Si1 C1 C2 -109.6(8) . . . . ?
C7 Si1 C13 C14 -27.0(7) . . . . ?
C7 Si1 C13 C18 153.0(5) . . . . ?
C7 C8 C9 C10 0.0 . . . . ?
C8 C7 C12 C11 0.0 . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C11 C12 C7 0.0 . . . . ?
C12 C7 C8 C9 0.0 . . . . ?
C13 Si1 C1 C6 -43.6(8) . . . . ?
C13 Si1 C1 C2 128.9(8) . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
C14 C13 C18 C17 0.0 . . . . ?
C14 C15 C16 C17 0.0 . . . . ?
C15 C16 C17 C18 0.0 . . . . ?
C16 C17 C18 C13 0.0 . . . . ?
C18 C13 C14 C15 0.0 . . . . ?
C32' C31 C36' C35' -26(3) . . . . ?
C32' C33' C34' C35' 0(4) . . . . ?
C33' C34' C35' C36' 6(4) . . . . ?
C34' C35' C36' C31 8(4) . . . . ?
C36' C31 C32' C33' 34(3) . . . . ?
C37 O3 C40 C39 10(2) . . . . ?
C37 C38 C39 C40 39.7(17) . . . . ?
C38 C39 C40 O3 -31(2) . . . . ?
C40 O3 C37 C38 14(2) . . . . ?
O3' C37' C38' C39' 12(7) . . . . ?
C1' C6' C5' C4' 0.0 . . . . ?
C6' C1' C2' C3' 0.0 . . . . ?
C6' C5' C4' C3' 0.0 . . . . ?
C5' C4' C3' C2' 0.0 . . . . ?
C4' C3' C2' C1' 0.0 . . . . ?
C2' C1' C6' C5' 0.0 . . . . ?
C8' C9' C10' C11' 0.0 . . . . ?
C9' C8' C7' Si1 177(2) . . . . ?
C9' C8' C7' C12' 0.0 . . . . ?
C9' C10' C11' C12' 0.0 . . . . ?
C10' C11' C12' C7' 0.0 . . . . ?
C11' C12' C7' Si1 -177(2) . . . . ?
C11' C12' C7' C8' 0.0 . . . . ?
C7' C8' C9' C10' 0.0 . . . . ?
C13' C14' C15' C16' 0.0 . . . . ?
C14' C13' C18' C17' 0.0 . . . . ?
C14' C15' C16' C17' 0.0 . . . . ?
C15' C16' C17' C18' 0.0 . . . . ?
C16' C17' C18' C13' 0.0 . . . . ?
C18' C13' C14' C15' 0.0 . . . . ?
C32 C31 C36 C35 20(3) . . . . ?
C32 C33 C34 C35 7(3) . . . . ?
C33 C34 C35 C36 -10(4) . . . . ?
C34 C35 C36 C31 -4(4) . . . . ?
C36 C31 C32 C33 -22(3) . . . . ?
C37' O3' C40' C39' -18(7) . . . . ?
C37' C38' C39' C40' -20(6) . . . . ?
C38' C39' C40' O3' 24(6) . . . . ?
C40' O3' C37' C38' 4(6) . . . . ?
C53 C54 C55 C56 0.0(10) . . . . ?
C54 C53 C58 C57 -0.8(10) . . . . ?
C54 C53 B1 C59 149.0(6) . . . . ?
C54 C53 B1 C65 -92.8(7) . . . . ?
C54 C53 B1 C71 28.7(9) . . . . ?
C54 C55 C56 C57 -0.3(10) . . . . ?
C55 C56 C57 C58 0.0(10) . . . . ?
C56 C57 C58 C53 0.5(11) . . . . ?
C58 C53 C54 C55 0.6(10) . . . . ?
C58 C53 B1 C59 -33.3(9) . . . . ?
C58 C53 B1 C65 84.8(8) . . . . ?
C58 C53 B1 C71 -153.6(6) . . . . ?
C59 C60 C61 C62 0.9(13) . . . . ?
C60 C59 C64 C63 0.0(11) . . . . ?
C60 C59 B1 C53 -77.4(8) . . . . ?
C60 C59 B1 C65 163.4(6) . . . . ?
C60 C59 B1 C71 41.6(9) . . . . ?
C60 C61 C62 C63 0.3(15) . . . . ?
C61 C62 C63 C64 -1.2(15) . . . . ?
C62 C63 C64 C59 1.1(14) . . . . ?
C64 C59 C60 C61 -0.9(11) . . . . ?
C64 C59 B1 C53 95.0(7) . . . . ?
C64 C59 B1 C65 -24.1(8) . . . . ?
C64 C59 B1 C71 -146.0(6) . . . . ?
C65 C66 C67 C68 1.0(11) . . . . ?
C66 C65 C70 C69 -0.3(9) . . . . ?
C66 C65 B1 C53 -168.1(6) . . . . ?
C66 C65 B1 C59 -52.0(8) . . . . ?
C66 C65 B1 C71 70.7(8) . . . . ?
C66 C67 C68 C69 -0.3(11) . . . . ?
C67 C68 C69 C70 -0.6(11) . . . . ?
C68 C69 C70 C65 0.9(11) . . . . ?
C70 C65 C66 C67 -0.7(10) . . . . ?
C70 C65 B1 C53 13.2(8) . . . . ?
C70 C65 B1 C59 129.3(6) . . . . ?
C70 C65 B1 C71 -108.0(7) . . . . ?
C71 C72 C73 C74 -0.4(11) . . . . ?
C72 C71 C76 C75 -2.2(10) . . . . ?
C72 C71 B1 C53 -131.1(6) . . . . ?
C72 C71 B1 C59 112.2(7) . . . . ?
C72 C71 B1 C65 -9.1(9) . . . . ?
C72 C73 C74 C75 -0.4(11) . . . . ?
C73 C74 C75 C76 -0.1(11) . . . . ?
C74 C75 C76 C71 1.6(11) . . . . ?
C76 C71 C72 C73 1.7(10) . . . . ?
C76 C71 B1 C53 46.9(8) . . . . ?
C76 C71 B1 C59 -69.9(8) . . . . ?
C76 C71 B1 C65 168.8(6) . . . . ?
B1 C53 C54 C55 178.4(6) . . . . ?
B1 C53 C58 C57 -178.6(6) . . . . ?
B1 C59 C60 C61 172.0(7) . . . . ?
B1 C59 C64 C63 -173.0(7) . . . . ?
B1 C65 C66 C67 -179.5(6) . . . . ?
B1 C65 C70 C69 178.5(6) . . . . ?
B1 C71 C72 C73 179.7(6) . . . . ?
B1 C71 C76 C75 179.7(6) . . . . ?
O1S' C1S' C2S' C3S' 14(4) . . . . ?
C1S' O1S' C4S' C3S' -15(4) . . . . ?
C1S' C2S' C3S' C4S' -25(4) . . . . ?
C2S' C3S' C4S' O1S' 25(4) . . . . ?
C4S' O1S' C1S' C2S' 1(5) . . . . ?
O1S C1S C2S C3S 34(3) . . . . ?
C1S O1S C4S C3S 9(3) . . . . ?
C1S C2S C3S C4S -30(4) . . . . ?
C2S C3S C4S O1S 13(4) . . . . ?
C4S O1S C1S C2S -28(3) . . . . ?
C5S C6S C7S C8S 2(3) . . . . ?
C6S C5S C6S C7S -1.4(14) 2_655 . . . ?
C6S C7S C8S C7S -1.2(12) . . . 2_655 ?

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

data_2
_database_code_depnum_ccdc_archive 'CCDC 2110429'
loop_
_audit_author_name
_audit_author_address
'Yulia Nelyubina'
;AN Nesmeyanov Institute of Organoelement Compounds
Russia
;
_audit_update_record             
;
2021-09-17 deposited with the CCDC.	2021-11-09 downloaded from the CCDC.
;
_audit_creation_date             2021-09-17
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C66 H69 Dy O6 Si3, C4 H8 O'
_chemical_formula_sum            'C70 H77 Dy O7 Si3'
_chemical_formula_weight         1277.08
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   14.334(2)
_cell_length_b                   16.468(2)
_cell_length_c                   14.540(2)
_cell_angle_alpha                90
_cell_angle_beta                 113.635(3)
_cell_angle_gamma                90
_cell_volume                     3144.3(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2933
_cell_measurement_temperature    120
_cell_measurement_theta_max      27.95
_cell_measurement_theta_min      2.47
_shelx_estimated_absorpt_T_max   0.881
_shelx_estimated_absorpt_T_min   0.881
_exptl_absorpt_coefficient_mu    1.298
_exptl_absorpt_correction_T_max  0.4330
_exptl_absorpt_correction_T_min  0.3513
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1016 before and 0.0892 after correction.
The Ratio of minimum to maximum transmission is 0.8113.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.349
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1322
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1365
_diffrn_reflns_av_unetI/netI     0.1443
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            41242
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         1.966
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.930
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                9051
_reflns_number_total             12339
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         1.287
_refine_diff_density_min         -1.104
_refine_diff_density_rms         0.126
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.017(15)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     741
_refine_ls_number_reflns         12339
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0914
_refine_ls_R_factor_gt           0.0564
_refine_ls_restrained_S_all      0.996
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0243P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0996
_refine_ls_wR_factor_ref         0.1104
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.983(15)
 0.017(15)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
3. Uiso/Uaniso restraints and constraints
Uanis(C43) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C66') = Uanis(C66)
Uanis(C65) = Uanis(C65')
Uanis(C64) = Uanis(C64')
4. Others
 Sof(H63C)=Sof(H63D)=Sof(C64')=Sof(H64C)=Sof(H64D)=Sof(C65')=Sof(H65C)=
 Sof(H65D)=Sof(C66')=Sof(H66C)=Sof(H66D)=1-FVAR(1)
 Sof(H63A)=Sof(H63B)=Sof(C64)=Sof(H64A)=Sof(H64B)=Sof(C65)=Sof(H65A)=Sof(H65B)=
 Sof(C66)=Sof(H66A)=Sof(H66B)=FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C55(H55A,H55B), C56(H56A,H56B), C57(H57A,H57B), C58(H58A,H58B), C59(H59A,
 H59B), C60(H60A,H60B), C61(H61A,H61B), C62(H62A,H62B), C63(H63A,H63B),
 C63(H63C,H63D), C64(H64A,H64B), C64'(H64C,H64D), C65(H65A,H65B), C65'(H65C,
 H65D), C66(H66A,H66B), C66'(H66C,H66D), C1S(H1SA,H1SB), C2S(H2SA,H2SB),
 C3S(H3SA,H3SB), C4S(H4SA,H4SB)
5.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21),
  C22(H22), C23(H23), C24(H24), C26(H26), C27(H27), C28(H28), C29(H29),
 C30(H30), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C38(H38), C39(H39),
  C40(H40), C41(H41), C42(H42), C44(H44), C45(H45), C46(H46), C47(H47),
 C48(H48), C50(H50), C51(H51), C52(H52), C53(H53), C54(H54)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.81064(4) 0.38774(3) 0.70626(3) 0.01760(12) Uani 1 1 d . . . . .
Si1 Si 0.7737(2) 0.31492(19) 0.4519(2) 0.0195(7) Uani 1 1 d . . . . .
Si2 Si 0.6641(2) 0.22743(19) 0.7706(2) 0.0216(8) Uani 1 1 d . . . . .
Si3 Si 1.0684(3) 0.29967(19) 0.8427(2) 0.0224(8) Uani 1 1 d . . . . .
O1 O 0.7813(6) 0.3527(5) 0.5571(6) 0.026(2) Uani 1 1 d . . . . .
O2 O 0.7295(6) 0.2975(5) 0.7502(6) 0.0244(19) Uani 1 1 d . . . . .
O3 O 0.9639(6) 0.3482(4) 0.7849(6) 0.028(2) Uani 1 1 d . . . . .
O4 O 0.8849(6) 0.5150(5) 0.6743(6) 0.029(2) Uani 1 1 d . . . . .
O5 O 0.6565(7) 0.4706(5) 0.6329(6) 0.039(2) Uani 1 1 d . . . . .
O6 O 0.8224(8) 0.4643(5) 0.8528(6) 0.039(3) Uani 1 1 d . . . . .
C1 C 0.8939(9) 0.3379(6) 0.4325(9) 0.023(3) Uani 1 1 d . . . . .
C2 C 0.9833(9) 0.3586(6) 0.5147(8) 0.022(3) Uani 1 1 d . . . . .
H2 H 0.9830 0.3595 0.5799 0.027 Uiso 1 1 calc R U . . .
C3 C 1.0719(8) 0.3777(12) 0.5035(8) 0.030(3) Uani 1 1 d . . . . .
H3 H 1.1307 0.3938 0.5601 0.036 Uiso 1 1 calc R U . . .
C4 C 1.0749(9) 0.3734(8) 0.4086(9) 0.028(3) Uani 1 1 d . . . . .
H4 H 1.1365 0.3844 0.4009 0.034 Uiso 1 1 calc R U . . .
C5 C 0.9873(9) 0.3529(6) 0.3257(9) 0.027(3) Uani 1 1 d . . . . .
H5 H 0.9882 0.3504 0.2609 0.032 Uiso 1 1 calc R U . . .
C6 C 0.8984(9) 0.3360(7) 0.3384(9) 0.026(3) Uani 1 1 d . . . . .
H6 H 0.8387 0.3227 0.2811 0.031 Uiso 1 1 calc R U . . .
C7 C 0.6644(10) 0.3593(8) 0.3431(9) 0.026(3) Uani 1 1 d . . . . .
C8 C 0.6707(10) 0.4368(8) 0.3054(9) 0.024(3) Uani 1 1 d . . . . .
H8 H 0.7327 0.4660 0.3359 0.029 Uiso 1 1 calc R U . . .
C9 C 0.5921(11) 0.4727(8) 0.2269(9) 0.032(3) Uani 1 1 d . . . . .
H9 H 0.6005 0.5254 0.2048 0.038 Uiso 1 1 calc R U . . .
C10 C 0.5000(13) 0.4315(11) 0.1799(11) 0.041(5) Uani 1 1 d . . . . .
H10 H 0.4451 0.4551 0.1251 0.049 Uiso 1 1 calc R U . . .
C11 C 0.4907(11) 0.3548(9) 0.2157(10) 0.029(4) Uani 1 1 d . . . . .
H11 H 0.4288 0.3256 0.1843 0.035 Uiso 1 1 calc R U . . .
C12 C 0.5706(9) 0.3202(7) 0.2965(9) 0.027(3) Uani 1 1 d . . . . .
H12 H 0.5610 0.2686 0.3207 0.032 Uiso 1 1 calc R U . . .
C13 C 0.7513(8) 0.2026(7) 0.4460(8) 0.020(3) Uani 1 1 d . . . . .
C14 C 0.7489(9) 0.1554(7) 0.3646(9) 0.027(3) Uani 1 1 d . . . . .
H14 H 0.7583 0.1813 0.3106 0.032 Uiso 1 1 calc R U . . .
C15 C 0.7330(9) 0.0717(7) 0.3608(9) 0.029(3) Uani 1 1 d . . . . .
H15 H 0.7324 0.0414 0.3050 0.034 Uiso 1 1 calc R U . . .
C16 C 0.7184(10) 0.0333(9) 0.4368(11) 0.031(4) Uani 1 1 d . . . . .
H16 H 0.7083 -0.0238 0.4339 0.037 Uiso 1 1 calc R U . . .
C17 C 0.7180(9) 0.0773(7) 0.5199(9) 0.025(3) Uani 1 1 d . . . . .
H17 H 0.7073 0.0506 0.5728 0.029 Uiso 1 1 calc R U . . .
C18 C 0.7338(8) 0.1611(7) 0.5226(9) 0.022(3) Uani 1 1 d . . . . .
H18 H 0.7328 0.1912 0.5779 0.026 Uiso 1 1 calc R U . . .
C19 C 0.5276(10) 0.2326(7) 0.6753(10) 0.029(3) Uani 1 1 d . . . . .
C20 C 0.5031(10) 0.2725(8) 0.5871(11) 0.045(4) Uani 1 1 d . . . . .
H20 H 0.5566 0.2950 0.5724 0.054 Uiso 1 1 calc R U . . .
C21 C 0.4029(14) 0.2823(9) 0.5165(12) 0.076(7) Uani 1 1 d . . . . .
H21 H 0.3891 0.3107 0.4557 0.091 Uiso 1 1 calc R U . . .
C22 C 0.3220(15) 0.2487(10) 0.5377(16) 0.068(7) Uani 1 1 d . . . . .
H22 H 0.2533 0.2531 0.4907 0.081 Uiso 1 1 calc R U . . .
C23 C 0.3452(11) 0.2109(11) 0.6250(13) 0.057(5) Uani 1 1 d . . . . .
H23 H 0.2921 0.1894 0.6411 0.069 Uiso 1 1 calc R U . . .
C24 C 0.4480(10) 0.2023(9) 0.6949(10) 0.041(4) Uani 1 1 d . . . . .
H24 H 0.4621 0.1749 0.7565 0.049 Uiso 1 1 calc R U . . .
C25 C 0.7218(9) 0.1259(7) 0.7687(8) 0.018(3) Uani 1 1 d . . . . .
C26 C 0.8234(9) 0.1202(7) 0.7791(8) 0.026(3) Uani 1 1 d . . . . .
H26 H 0.8609 0.1688 0.7844 0.031 Uiso 1 1 calc R U . . .
C27 C 0.8696(11) 0.0484(8) 0.7820(10) 0.029(4) Uani 1 1 d . . . . .
H27 H 0.9379 0.0475 0.7876 0.035 Uiso 1 1 calc R U . . .
C28 C 0.8184(10) -0.0251(8) 0.7768(10) 0.034(3) Uani 1 1 d . . . . .
H28 H 0.8517 -0.0756 0.7806 0.041 Uiso 1 1 calc R U . . .
C29 C 0.7173(10) -0.0218(8) 0.7658(10) 0.035(3) Uani 1 1 d . . . . .
H29 H 0.6812 -0.0709 0.7622 0.041 Uiso 1 1 calc R U . . .
C30 C 0.6687(10) 0.0518(7) 0.7599(9) 0.029(3) Uani 1 1 d . . . . .
H30 H 0.5990 0.0527 0.7500 0.034 Uiso 1 1 calc R U . . .
C31 C 0.6622(9) 0.2400(7) 0.8981(9) 0.021(3) Uani 1 1 d . . . . .
C32 C 0.7204(9) 0.1926(8) 0.9808(9) 0.030(3) Uani 1 1 d . . . . .
H32 H 0.7602 0.1496 0.9718 0.036 Uiso 1 1 calc R U . . .
C33 C 0.7223(10) 0.2062(9) 1.0762(10) 0.036(4) Uani 1 1 d . . . . .
H33 H 0.7620 0.1722 1.1306 0.044 Uiso 1 1 calc R U . . .
C34 C 0.6660(10) 0.2694(9) 1.0917(10) 0.037(3) Uani 1 1 d . . . . .
H34 H 0.6683 0.2802 1.1568 0.044 Uiso 1 1 calc R U . . .
C35 C 0.6067(10) 0.3160(8) 1.0107(10) 0.037(3) Uani 1 1 d . . . . .
H35 H 0.5671 0.3589 1.0200 0.045 Uiso 1 1 calc R U . . .
C36 C 0.6040(10) 0.3013(7) 0.9158(9) 0.029(3) Uani 1 1 d . . . . .
H36 H 0.5613 0.3338 0.8612 0.034 Uiso 1 1 calc R U . . .
C37 C 1.0867(9) 0.2778(7) 0.9758(9) 0.024(3) Uani 1 1 d . . . . .
C38 C 1.0004(10) 0.2582(8) 0.9956(9) 0.030(3) Uani 1 1 d . . . . .
H38 H 0.9349 0.2567 0.9420 0.036 Uiso 1 1 calc R U . . .
C39 C 1.0104(11) 0.2411(8) 1.0936(11) 0.039(4) Uani 1 1 d . . . . .
H39 H 0.9520 0.2269 1.1055 0.047 Uiso 1 1 calc R U . . .
C40 C 1.1059(12) 0.2448(9) 1.1742(11) 0.035(4) Uani 1 1 d . . . . .
H40 H 1.1125 0.2347 1.2408 0.042 Uiso 1 1 calc R U . . .
C41 C 1.1884(10) 0.2630(7) 1.1551(10) 0.029(3) Uani 1 1 d . . . . .
H41 H 1.2537 0.2644 1.2090 0.035 Uiso 1 1 calc R U . . .
C42 C 1.1795(9) 0.2797(7) 1.0584(9) 0.025(3) Uani 1 1 d . . . . .
H42 H 1.2392 0.2930 1.0482 0.030 Uiso 1 1 calc R U . . .
C43 C 1.1841(9) 0.3577(7) 0.8504(9) 0.026(3) Uani 1 1 d . U . . .
C44 C 1.2199(9) 0.4259(7) 0.9102(9) 0.025(3) Uani 1 1 d . . . . .
H44 H 1.1853 0.4436 0.9504 0.030 Uiso 1 1 calc R U . . .
C45 C 1.3038(10) 0.4692(8) 0.9136(10) 0.038(4) Uani 1 1 d . . . . .
H45 H 1.3251 0.5159 0.9552 0.046 Uiso 1 1 calc R U . . .
C46 C 1.3568(11) 0.4456(8) 0.8576(11) 0.039(4) Uani 1 1 d . . . . .
H46 H 1.4144 0.4753 0.8596 0.047 Uiso 1 1 calc R U . . .
C47 C 1.3238(9) 0.3770(12) 0.7980(9) 0.037(4) Uani 1 1 d . . . . .
H47 H 1.3593 0.3588 0.7590 0.045 Uiso 1 1 calc R U . . .
C48 C 1.2408(10) 0.3359(8) 0.7952(10) 0.033(3) Uani 1 1 d . . . . .
H48 H 1.2199 0.2894 0.7532 0.040 Uiso 1 1 calc R U . . .
C49 C 1.0693(9) 0.2018(7) 0.7758(9) 0.024(3) Uani 1 1 d . . . . .
C50 C 1.1424(9) 0.1421(7) 0.8144(9) 0.028(3) Uani 1 1 d . . . . .
H50 H 1.1935 0.1489 0.8802 0.034 Uiso 1 1 calc R U . . .
C51 C 1.1446(10) 0.0718(8) 0.7607(10) 0.035(3) Uani 1 1 d . . . . .
H51 H 1.1950 0.0312 0.7902 0.042 Uiso 1 1 calc R U . . .
C52 C 1.0717(9) 0.0629(7) 0.6637(9) 0.026(3) Uani 1 1 d . . . . .
H52 H 1.0738 0.0166 0.6256 0.031 Uiso 1 1 calc R U . . .
C53 C 0.9968(9) 0.1195(7) 0.6219(9) 0.025(3) Uani 1 1 d . . . . .
H53 H 0.9459 0.1124 0.5561 0.030 Uiso 1 1 calc R U . . .
C54 C 0.9971(11) 0.1884(9) 0.6790(10) 0.024(3) Uani 1 1 d . . . . .
H54 H 0.9453 0.2279 0.6499 0.029 Uiso 1 1 calc R U . . .
C55 C 0.8365(11) 0.5642(8) 0.5846(10) 0.047(4) Uani 1 1 d . . . . .
H55A H 0.7768 0.5934 0.5863 0.056 Uiso 1 1 calc R U . . .
H55B H 0.8139 0.5299 0.5236 0.056 Uiso 1 1 calc R U . . .
C56 C 0.9166(11) 0.6227(9) 0.5859(10) 0.040(4) Uani 1 1 d . . . . .
H56A H 0.9116 0.6330 0.5170 0.048 Uiso 1 1 calc R U . . .
H56B H 0.9096 0.6750 0.6162 0.048 Uiso 1 1 calc R U . . .
C57 C 1.0129(15) 0.5839(13) 0.6465(17) 0.082(8) Uani 1 1 d . . . . .
H57A H 1.0656 0.6251 0.6813 0.098 Uiso 1 1 calc R U . . .
H57B H 1.0368 0.5499 0.6041 0.098 Uiso 1 1 calc R U . . .
C58 C 0.9919(12) 0.5329(9) 0.7204(12) 0.056(5) Uani 1 1 d . . . . .
H58A H 1.0325 0.4822 0.7345 0.067 Uiso 1 1 calc R U . . .
H58B H 1.0088 0.5627 0.7842 0.067 Uiso 1 1 calc R U . . .
C59 C 0.5896(11) 0.4773(8) 0.5281(10) 0.043(4) Uani 1 1 d . . . . .
H59A H 0.5343 0.4365 0.5098 0.052 Uiso 1 1 calc R U . . .
H59B H 0.6279 0.4688 0.4853 0.052 Uiso 1 1 calc R U . . .
C60 C 0.5464(11) 0.5629(8) 0.5151(10) 0.041(4) Uani 1 1 d . . . . .
H60A H 0.5854 0.6002 0.4903 0.050 Uiso 1 1 calc R U . . .
H60B H 0.4739 0.5636 0.4677 0.050 Uiso 1 1 calc R U . . .
C61 C 0.5579(12) 0.5857(9) 0.6184(10) 0.045(4) Uani 1 1 d . . . . .
H61A H 0.4919 0.6036 0.6184 0.054 Uiso 1 1 calc R U . . .
H61B H 0.6082 0.6300 0.6455 0.054 Uiso 1 1 calc R U . . .
C62 C 0.5952(16) 0.5079(12) 0.6805(13) 0.080(6) Uani 1 1 d . . . . .
H62A H 0.6366 0.5204 0.7520 0.097 Uiso 1 1 calc R U . . .
H62B H 0.5375 0.4725 0.6757 0.097 Uiso 1 1 calc R U . . .
C63 C 0.8100(10) 0.4230(9) 0.9353(9) 0.043(4) Uani 1 1 d . . . . .
H63A H 0.8125 0.3632 0.9302 0.052 Uiso 0.66(3) 1 calc R U P A 1
H63B H 0.7472 0.4396 0.9431 0.052 Uiso 0.66(3) 1 calc R U P A 1
H63C H 0.8360 0.3667 0.9417 0.052 Uiso 0.34(3) 1 calc R U P A 2
H63D H 0.7373 0.4213 0.9243 0.052 Uiso 0.34(3) 1 calc R U P A 2
C64 C 0.913(3) 0.460(3) 1.023(3) 0.048(11) Uani 0.66(3) 1 d . . P A 1
H64A H 0.9046 0.4664 1.0870 0.057 Uiso 0.66(3) 1 calc R U P A 1
H64B H 0.9726 0.4253 1.0343 0.057 Uiso 0.66(3) 1 calc R U P A 1
C64' C 0.872(7) 0.472(6) 1.030(7) 0.048(11) Uani 0.34(3) 1 d . . P A 2
H64C H 0.8334 0.4781 1.0730 0.057 Uiso 0.34(3) 1 calc R U P A 2
H64D H 0.9374 0.4452 1.0691 0.057 Uiso 0.34(3) 1 calc R U P A 2
C65 C 0.926(3) 0.547(2) 0.980(2) 0.043(7) Uani 0.66(3) 1 d . . P A 1
H65A H 0.9203 0.5914 1.0230 0.052 Uiso 0.66(3) 1 calc R U P A 1
H65B H 0.9921 0.5508 0.9739 0.052 Uiso 0.66(3) 1 calc R U P A 1
C65' C 0.889(6) 0.551(5) 0.996(5) 0.043(7) Uani 0.34(3) 1 d . . P A 2
H65C H 0.9482 0.5794 1.0470 0.052 Uiso 0.34(3) 1 calc R U P A 2
H65D H 0.8283 0.5864 0.9757 0.052 Uiso 0.34(3) 1 calc R U P A 2
C66 C 0.840(2) 0.5469(13) 0.8813(17) 0.046(7) Uani 0.66(3) 1 d . . P A 1
H66A H 0.7792 0.5716 0.8857 0.056 Uiso 0.66(3) 1 calc R U P A 1
H66B H 0.8578 0.5779 0.8321 0.056 Uiso 0.66(3) 1 calc R U P A 1
C66' C 0.912(5) 0.524(3) 0.901(4) 0.046(7) Uani 0.34(3) 1 d . . P A 2
H66C H 0.9083 0.5706 0.8565 0.056 Uiso 0.34(3) 1 calc R U P A 2
H66D H 0.9789 0.4971 0.9218 0.056 Uiso 0.34(3) 1 calc R U P A 2
O1S O 0.5750(7) 0.5580(5) 0.8984(6) 0.040(2) Uani 1 1 d . . . . .
C1S C 0.5971(10) 0.5524(7) 1.0034(9) 0.033(3) Uani 1 1 d . . . . .
H1SA H 0.6703 0.5403 1.0416 0.040 Uiso 1 1 calc R U . . .
H1SB H 0.5567 0.5083 1.0157 0.040 Uiso 1 1 calc R U . . .
C2S C 0.5704(10) 0.6334(7) 1.0373(10) 0.034(3) Uani 1 1 d . . . . .
H2SA H 0.6159 0.6457 1.1078 0.040 Uiso 1 1 calc R U . . .
H2SB H 0.4987 0.6346 1.0299 0.040 Uiso 1 1 calc R U . . .
C3S C 0.5882(10) 0.6916(8) 0.9640(9) 0.035(3) Uani 1 1 d . . . . .
H3SA H 0.5493 0.7426 0.9564 0.042 Uiso 1 1 calc R U . . .
H3SB H 0.6614 0.7046 0.9856 0.042 Uiso 1 1 calc R U . . .
C4S C 0.5487(11) 0.6425(8) 0.8680(10) 0.040(4) Uani 1 1 d . . . . .
H4SA H 0.4741 0.6489 0.8325 0.048 Uiso 1 1 calc R U . . .
H4SB H 0.5812 0.6604 0.8228 0.048 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.118(8) . ?
Dy1 O2 2.136(8) . ?
Dy1 O3 2.132(8) . ?
Dy1 O4 2.478(8) . ?
Dy1 O5 2.448(8) . ?
Dy1 O6 2.423(8) . ?
Si1 O1 1.613(8) . ?
Si1 C1 1.892(13) . ?
Si1 C7 1.872(14) . ?
Si1 C13 1.873(11) . ?
Si2 O2 1.588(8) . ?
Si2 C19 1.894(13) . ?
Si2 C25 1.871(11) . ?
Si2 C31 1.877(12) . ?
Si3 O3 1.607(8) . ?
Si3 C37 1.881(12) . ?
Si3 C43 1.878(13) . ?
Si3 C49 1.885(12) . ?
O4 C55 1.454(14) . ?
O4 C58 1.436(17) . ?
O5 C59 1.443(15) . ?
O5 C62 1.454(18) . ?
O6 C63 1.450(14) . ?
O6 C66 1.41(2) . ?
O6 C66' 1.55(5) . ?
C1 C2 1.400(16) . ?
C1 C6 1.397(16) . ?
C2 H2 0.9500 . ?
C2 C3 1.379(15) . ?
C3 H3 0.9500 . ?
C3 C4 1.400(15) . ?
C4 H4 0.9500 . ?
C4 C5 1.389(16) . ?
C5 H5 0.9500 . ?
C5 C6 1.385(16) . ?
C6 H6 0.9500 . ?
C7 C8 1.406(16) . ?
C7 C12 1.397(17) . ?
C8 H8 0.9500 . ?
C8 C9 1.375(17) . ?
C9 H9 0.9500 . ?
C9 C10 1.40(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.392(17) . ?
C11 H11 0.9500 . ?
C11 C12 1.392(18) . ?
C12 H12 0.9500 . ?
C13 C14 1.404(16) . ?
C13 C18 1.413(16) . ?
C14 H14 0.9500 . ?
C14 C15 1.395(16) . ?
C15 H15 0.9500 . ?
C15 C16 1.360(18) . ?
C16 H16 0.9500 . ?
C16 C17 1.411(18) . ?
C17 H17 0.9500 . ?
C17 C18 1.395(15) . ?
C18 H18 0.9500 . ?
C19 C20 1.356(18) . ?
C19 C24 1.375(18) . ?
C20 H20 0.9500 . ?
C20 C21 1.40(2) . ?
C21 H21 0.9500 . ?
C21 C22 1.43(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.33(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.422(19) . ?
C24 H24 0.9500 . ?
C25 C26 1.405(16) . ?
C25 C30 1.416(16) . ?
C26 H26 0.9500 . ?
C26 C27 1.348(18) . ?
C27 H27 0.9500 . ?
C27 C28 1.400(18) . ?
C28 H28 0.9500 . ?
C28 C29 1.394(18) . ?
C29 H29 0.9500 . ?
C29 C30 1.385(17) . ?
C30 H30 0.9500 . ?
C31 C32 1.395(16) . ?
C31 C36 1.397(16) . ?
C32 H32 0.9500 . ?
C32 C33 1.394(17) . ?
C33 H33 0.9500 . ?
C33 C34 1.390(18) . ?
C34 H34 0.9500 . ?
C34 C35 1.377(18) . ?
C35 H35 0.9500 . ?
C35 C36 1.386(17) . ?
C36 H36 0.9500 . ?
C37 C38 1.415(17) . ?
C37 C42 1.390(16) . ?
C38 H38 0.9500 . ?
C38 C39 1.402(18) . ?
C39 H39 0.9500 . ?
C39 C40 1.40(2) . ?
C40 H40 0.9500 . ?
C40 C41 1.351(19) . ?
C41 H41 0.9500 . ?
C41 C42 1.389(16) . ?
C42 H42 0.9500 . ?
C43 C44 1.387(14) . ?
C43 C48 1.398(18) . ?
C44 H44 0.9500 . ?
C44 C45 1.382(18) . ?
C45 H45 0.9500 . ?
C45 C46 1.37(2) . ?
C46 H46 0.9500 . ?
C46 C47 1.39(2) . ?
C47 H47 0.9500 . ?
C47 C48 1.354(18) . ?
C48 H48 0.9500 . ?
C49 C50 1.381(16) . ?
C49 C54 1.391(18) . ?
C50 H50 0.9500 . ?
C50 C51 1.405(16) . ?
C51 H51 0.9500 . ?
C51 C52 1.386(16) . ?
C52 H52 0.9500 . ?
C52 C53 1.366(16) . ?
C53 H53 0.9500 . ?
C53 C54 1.405(18) . ?
C54 H54 0.9500 . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 C56 1.492(18) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 C57 1.46(2) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C57 C58 1.49(2) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C59 C60 1.521(17) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C60 C61 1.493(18) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C61 C62 1.54(2) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C63 H63C 0.9900 . ?
C63 H63D 0.9900 . ?
C63 C64 1.64(5) . ?
C63 C64' 1.54(10) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C64 C65 1.59(6) . ?
C64' H64C 0.9900 . ?
C64' H64D 0.9900 . ?
C64' C65' 1.45(13) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C65 C66 1.47(4) . ?
C65' H65C 0.9900 . ?
C65' H65D 0.9900 . ?
C65' C66' 1.60(7) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C66' H66C 0.9900 . ?
C66' H66D 0.9900 . ?
O1S C1S 1.433(14) . ?
O1S C4S 1.463(15) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C1S C2S 1.522(17) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
C2S C3S 1.530(17) . ?
C3S H3SA 0.9900 . ?
C3S H3SB 0.9900 . ?
C3S C4S 1.513(17) . ?
C4S H4SA 0.9900 . ?
C4S H4SB 0.9900 . ?

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
O1 Dy1 O2 102.0(3) . . ?
O1 Dy1 O3 101.8(3) . . ?
O1 Dy1 O4 87.8(3) . . ?
O1 Dy1 O5 86.1(3) . . ?
O1 Dy1 O6 163.3(3) . . ?
O2 Dy1 O4 166.1(3) . . ?
O2 Dy1 O5 90.8(3) . . ?
O2 Dy1 O6 87.3(3) . . ?
O3 Dy1 O2 101.2(3) . . ?
O3 Dy1 O4 86.0(3) . . ?
O3 Dy1 O5 163.8(3) . . ?
O3 Dy1 O6 89.6(3) . . ?
O5 Dy1 O4 80.1(3) . . ?
O6 Dy1 O4 80.8(3) . . ?
O6 Dy1 O5 79.9(3) . . ?
O1 Si1 C1 110.1(5) . . ?
O1 Si1 C7 111.5(5) . . ?
O1 Si1 C13 111.7(5) . . ?
C7 Si1 C1 107.4(6) . . ?
C7 Si1 C13 106.1(5) . . ?
C13 Si1 C1 109.8(5) . . ?
O2 Si2 C19 110.2(5) . . ?
O2 Si2 C25 110.4(5) . . ?
O2 Si2 C31 110.4(5) . . ?
C25 Si2 C19 111.2(5) . . ?
C25 Si2 C31 107.2(5) . . ?
C31 Si2 C19 107.3(6) . . ?
O3 Si3 C37 110.5(5) . . ?
O3 Si3 C43 113.2(5) . . ?
O3 Si3 C49 110.7(5) . . ?
C37 Si3 C49 109.9(5) . . ?
C43 Si3 C37 106.3(6) . . ?
C43 Si3 C49 106.1(6) . . ?
Si1 O1 Dy1 170.5(5) . . ?
Si2 O2 Dy1 173.9(5) . . ?
Si3 O3 Dy1 167.7(5) . . ?
C55 O4 Dy1 123.6(7) . . ?
C58 O4 Dy1 123.0(7) . . ?
C58 O4 C55 109.9(10) . . ?
C59 O5 Dy1 127.1(7) . . ?
C59 O5 C62 101.5(11) . . ?
C62 O5 Dy1 129.8(8) . . ?
C63 O6 Dy1 119.6(7) . . ?
C63 O6 C66' 106.1(19) . . ?
C66 O6 Dy1 134.3(11) . . ?
C66 O6 C63 106.0(13) . . ?
C66' O6 Dy1 119(2) . . ?
C2 C1 Si1 119.9(9) . . ?
C6 C1 Si1 123.0(9) . . ?
C6 C1 C2 117.0(11) . . ?
C1 C2 H2 119.1 . . ?
C3 C2 C1 121.8(11) . . ?
C3 C2 H2 119.1 . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 119.9(11) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.3 . . ?
C5 C4 C3 119.5(11) . . ?
C5 C4 H4 120.3 . . ?
C4 C5 H5 120.2 . . ?
C6 C5 C4 119.6(11) . . ?
C6 C5 H5 120.2 . . ?
C1 C6 H6 118.9 . . ?
C5 C6 C1 122.1(11) . . ?
C5 C6 H6 118.9 . . ?
C8 C7 Si1 121.4(11) . . ?
C12 C7 Si1 123.1(10) . . ?
C12 C7 C8 115.4(13) . . ?
C7 C8 H8 118.2 . . ?
C9 C8 C7 123.7(14) . . ?
C9 C8 H8 118.2 . . ?
C8 C9 H9 120.1 . . ?
C8 C9 C10 119.8(12) . . ?
C10 C9 H9 120.1 . . ?
C9 C10 H10 120.9 . . ?
C11 C10 C9 118.1(15) . . ?
C11 C10 H10 120.9 . . ?
C10 C11 H11 119.4 . . ?
C10 C11 C12 121.2(15) . . ?
C12 C11 H11 119.4 . . ?
C7 C12 H12 119.1 . . ?
C11 C12 C7 121.7(12) . . ?
C11 C12 H12 119.1 . . ?
C14 C13 Si1 122.1(9) . . ?
C14 C13 C18 116.3(10) . . ?
C18 C13 Si1 121.6(9) . . ?
C13 C14 H14 119.0 . . ?
C15 C14 C13 122.0(11) . . ?
C15 C14 H14 119.0 . . ?
C14 C15 H15 119.9 . . ?
C16 C15 C14 120.2(12) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 119.6 . . ?
C15 C16 C17 120.8(13) . . ?
C17 C16 H16 119.6 . . ?
C16 C17 H17 120.8 . . ?
C18 C17 C16 118.4(12) . . ?
C18 C17 H17 120.8 . . ?
C13 C18 H18 118.8 . . ?
C17 C18 C13 122.3(11) . . ?
C17 C18 H18 118.8 . . ?
C20 C19 Si2 121.0(11) . . ?
C20 C19 C24 116.7(13) . . ?
C24 C19 Si2 122.1(11) . . ?
C19 C20 H20 118.3 . . ?
C19 C20 C21 123.3(15) . . ?
C21 C20 H20 118.3 . . ?
C20 C21 H21 120.6 . . ?
C20 C21 C22 118.8(16) . . ?
C22 C21 H21 120.6 . . ?
C21 C22 H22 120.9 . . ?
C23 C22 C21 118.2(17) . . ?
C23 C22 H22 120.9 . . ?
C22 C23 H23 119.4 . . ?
C22 C23 C24 121.3(18) . . ?
C24 C23 H23 119.4 . . ?
C19 C24 C23 121.6(15) . . ?
C19 C24 H24 119.2 . . ?
C23 C24 H24 119.2 . . ?
C26 C25 Si2 120.2(9) . . ?
C26 C25 C30 116.7(11) . . ?
C30 C25 Si2 123.1(9) . . ?
C25 C26 H26 118.8 . . ?
C27 C26 C25 122.5(12) . . ?
C27 C26 H26 118.8 . . ?
C26 C27 H27 119.5 . . ?
C26 C27 C28 121.0(13) . . ?
C28 C27 H27 119.5 . . ?
C27 C28 H28 120.9 . . ?
C29 C28 C27 118.1(12) . . ?
C29 C28 H28 120.9 . . ?
C28 C29 H29 119.5 . . ?
C30 C29 C28 121.0(12) . . ?
C30 C29 H29 119.5 . . ?
C25 C30 H30 119.7 . . ?
C29 C30 C25 120.6(12) . . ?
C29 C30 H30 119.7 . . ?
C32 C31 Si2 123.2(9) . . ?
C32 C31 C36 116.2(11) . . ?
C36 C31 Si2 120.5(9) . . ?
C31 C32 H32 118.9 . . ?
C33 C32 C31 122.2(12) . . ?
C33 C32 H32 118.9 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.1(12) . . ?
C34 C33 H33 120.0 . . ?
C33 C34 H34 120.7 . . ?
C35 C34 C33 118.5(12) . . ?
C35 C34 H34 120.7 . . ?
C34 C35 H35 119.5 . . ?
C34 C35 C36 121.1(13) . . ?
C36 C35 H35 119.5 . . ?
C31 C36 H36 119.1 . . ?
C35 C36 C31 121.9(12) . . ?
C35 C36 H36 119.1 . . ?
C38 C37 Si3 118.8(9) . . ?
C42 C37 Si3 125.1(10) . . ?
C42 C37 C38 116.2(11) . . ?
C37 C38 H38 119.6 . . ?
C39 C38 C37 120.7(13) . . ?
C39 C38 H38 119.6 . . ?
C38 C39 H39 119.7 . . ?
C40 C39 C38 120.6(14) . . ?
C40 C39 H39 119.7 . . ?
C39 C40 H40 120.7 . . ?
C41 C40 C39 118.6(13) . . ?
C41 C40 H40 120.7 . . ?
C40 C41 H41 119.4 . . ?
C40 C41 C42 121.3(13) . . ?
C42 C41 H41 119.4 . . ?
C37 C42 H42 118.7 . . ?
C41 C42 C37 122.5(12) . . ?
C41 C42 H42 118.7 . . ?
C44 C43 Si3 123.0(11) . . ?
C44 C43 C48 114.5(12) . . ?
C48 C43 Si3 122.5(9) . . ?
C43 C44 H44 118.8 . . ?
C45 C44 C43 122.5(13) . . ?
C45 C44 H44 118.8 . . ?
C44 C45 H45 119.6 . . ?
C46 C45 C44 120.9(13) . . ?
C46 C45 H45 119.6 . . ?
C45 C46 H46 121.0 . . ?
C45 C46 C47 118.0(13) . . ?
C47 C46 H46 121.0 . . ?
C46 C47 H47 119.9 . . ?
C48 C47 C46 120.1(14) . . ?
C48 C47 H47 119.9 . . ?
C43 C48 H48 118.0 . . ?
C47 C48 C43 124.0(13) . . ?
C47 C48 H48 118.0 . . ?
C50 C49 Si3 124.0(9) . . ?
C50 C49 C54 115.7(11) . . ?
C54 C49 Si3 120.1(10) . . ?
C49 C50 H50 118.5 . . ?
C49 C50 C51 122.9(11) . . ?
C51 C50 H50 118.5 . . ?
C50 C51 H51 120.7 . . ?
C52 C51 C50 118.5(11) . . ?
C52 C51 H51 120.7 . . ?
C51 C52 H52 119.4 . . ?
C53 C52 C51 121.2(11) . . ?
C53 C52 H52 119.4 . . ?
C52 C53 H53 120.9 . . ?
C52 C53 C54 118.2(11) . . ?
C54 C53 H53 120.9 . . ?
C49 C54 C53 123.4(12) . . ?
C49 C54 H54 118.3 . . ?
C53 C54 H54 118.3 . . ?
O4 C55 H55A 110.7 . . ?
O4 C55 H55B 110.7 . . ?
O4 C55 C56 105.1(11) . . ?
H55A C55 H55B 108.8 . . ?
C56 C55 H55A 110.7 . . ?
C56 C55 H55B 110.7 . . ?
C55 C56 H56A 110.7 . . ?
C55 C56 H56B 110.7 . . ?
H56A C56 H56B 108.8 . . ?
C57 C56 C55 105.2(13) . . ?
C57 C56 H56A 110.7 . . ?
C57 C56 H56B 110.7 . . ?
C56 C57 H57A 110.6 . . ?
C56 C57 H57B 110.6 . . ?
C56 C57 C58 105.5(15) . . ?
H57A C57 H57B 108.8 . . ?
C58 C57 H57A 110.6 . . ?
C58 C57 H57B 110.6 . . ?
O4 C58 C57 105.4(13) . . ?
O4 C58 H58A 110.7 . . ?
O4 C58 H58B 110.7 . . ?
C57 C58 H58A 110.7 . . ?
C57 C58 H58B 110.7 . . ?
H58A C58 H58B 108.8 . . ?
O5 C59 H59A 110.7 . . ?
O5 C59 H59B 110.7 . . ?
O5 C59 C60 105.4(11) . . ?
H59A C59 H59B 108.8 . . ?
C60 C59 H59A 110.7 . . ?
C60 C59 H59B 110.7 . . ?
C59 C60 H60A 111.1 . . ?
C59 C60 H60B 111.1 . . ?
H60A C60 H60B 109.0 . . ?
C61 C60 C59 103.5(11) . . ?
C61 C60 H60A 111.1 . . ?
C61 C60 H60B 111.1 . . ?
C60 C61 H61A 110.8 . . ?
C60 C61 H61B 110.8 . . ?
C60 C61 C62 104.7(12) . . ?
H61A C61 H61B 108.9 . . ?
C62 C61 H61A 110.8 . . ?
C62 C61 H61B 110.8 . . ?
O5 C62 C61 101.9(12) . . ?
O5 C62 H62A 111.4 . . ?
O5 C62 H62B 111.4 . . ?
C61 C62 H62A 111.4 . . ?
C61 C62 H62B 111.4 . . ?
H62A C62 H62B 109.3 . . ?
O6 C63 H63A 112.6 . . ?
O6 C63 H63B 112.6 . . ?
O6 C63 H63C 110.5 . . ?
O6 C63 H63D 110.5 . . ?
O6 C63 C64 95.5(17) . . ?
O6 C63 C64' 106(4) . . ?
H63A C63 H63B 110.1 . . ?
H63C C63 H63D 108.7 . . ?
C64 C63 H63A 112.6 . . ?
C64 C63 H63B 112.6 . . ?
C64' C63 H63C 110.5 . . ?
C64' C63 H63D 110.5 . . ?
C63 C64 H64A 111.0 . . ?
C63 C64 H64B 111.0 . . ?
H64A C64 H64B 109.0 . . ?
C65 C64 C63 104(3) . . ?
C65 C64 H64A 111.0 . . ?
C65 C64 H64B 111.0 . . ?
C63 C64' H64C 110.4 . . ?
C63 C64' H64D 110.4 . . ?
H64C C64' H64D 108.6 . . ?
C65' C64' C63 106(6) . . ?
C65' C64' H64C 110.4 . . ?
C65' C64' H64D 110.4 . . ?
C64 C65 H65A 111.4 . . ?
C64 C65 H65B 111.4 . . ?
H65A C65 H65B 109.3 . . ?
C66 C65 C64 102(3) . . ?
C66 C65 H65A 111.4 . . ?
C66 C65 H65B 111.4 . . ?
C64' C65' H65C 111.8 . . ?
C64' C65' H65D 111.8 . . ?
C64' C65' C66' 100(6) . . ?
H65C C65' H65D 109.5 . . ?
C66' C65' H65C 111.8 . . ?
C66' C65' H65D 111.8 . . ?
O6 C66 C65 105(2) . . ?
O6 C66 H66A 110.7 . . ?
O6 C66 H66B 110.7 . . ?
C65 C66 H66A 110.7 . . ?
C65 C66 H66B 110.7 . . ?
H66A C66 H66B 108.8 . . ?
O6 C66' C65' 99(5) . . ?
O6 C66' H66C 112.0 . . ?
O6 C66' H66D 112.0 . . ?
C65' C66' H66C 112.0 . . ?
C65' C66' H66D 112.0 . . ?
H66C C66' H66D 109.7 . . ?
C1S O1S C4S 107.6(9) . . ?
O1S C1S H1SA 110.1 . . ?
O1S C1S H1SB 110.1 . . ?
O1S C1S C2S 108.2(10) . . ?
H1SA C1S H1SB 108.4 . . ?
C2S C1S H1SA 110.1 . . ?
C2S C1S H1SB 110.1 . . ?
C1S C2S H2SA 111.6 . . ?
C1S C2S H2SB 111.6 . . ?
C1S C2S C3S 100.9(11) . . ?
H2SA C2S H2SB 109.4 . . ?
C3S C2S H2SA 111.6 . . ?
C3S C2S H2SB 111.6 . . ?
C2S C3S H3SA 111.4 . . ?
C2S C3S H3SB 111.4 . . ?
H3SA C3S H3SB 109.3 . . ?
C4S C3S C2S 101.7(10) . . ?
C4S C3S H3SA 111.4 . . ?
C4S C3S H3SB 111.4 . . ?
O1S C4S C3S 105.9(10) . . ?
O1S C4S H4SA 110.6 . . ?
O1S C4S H4SB 110.6 . . ?
C3S C4S H4SA 110.6 . . ?
C3S C4S H4SB 110.6 . . ?
H4SA C4S H4SB 108.7 . . ?

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
Dy1 O4 C55 C56 -167.6(8) . . . . ?
Dy1 O4 C58 C57 149.3(12) . . . . ?
Dy1 O5 C59 C60 -149.4(9) . . . . ?
Dy1 O5 C62 C61 146.9(10) . . . . ?
Dy1 O6 C63 C64 130.1(15) . . . . ?
Dy1 O6 C63 C64' 152(3) . . . . ?
Dy1 O6 C66 C65 -126.4(17) . . . . ?
Dy1 O6 C66' C65' -176(3) . . . . ?
Si1 C1 C2 C3 -178.4(11) . . . . ?
Si1 C1 C6 C5 -179.9(9) . . . . ?
Si1 C7 C8 C9 -178.8(10) . . . . ?
Si1 C7 C12 C11 -180.0(10) . . . . ?
Si1 C13 C14 C15 179.5(9) . . . . ?
Si1 C13 C18 C17 -179.4(9) . . . . ?
Si2 C19 C20 C21 -176.2(12) . . . . ?
Si2 C19 C24 C23 176.1(10) . . . . ?
Si2 C25 C26 C27 177.4(10) . . . . ?
Si2 C25 C30 C29 -175.5(9) . . . . ?
Si2 C31 C32 C33 176.2(10) . . . . ?
Si2 C31 C36 C35 -175.2(9) . . . . ?
Si3 C37 C38 C39 179.7(9) . . . . ?
Si3 C37 C42 C41 180.0(9) . . . . ?
Si3 C43 C44 C45 -178.6(10) . . . . ?
Si3 C43 C48 C47 179.1(11) . . . . ?
Si3 C49 C50 C51 -176.3(10) . . . . ?
Si3 C49 C54 C53 175.8(10) . . . . ?
O1 Si1 C1 C2 19.8(10) . . . . ?
O1 Si1 C1 C6 -159.6(9) . . . . ?
O1 Si1 C7 C8 78.2(11) . . . . ?
O1 Si1 C7 C12 -99.1(11) . . . . ?
O1 Si1 C13 C14 -175.6(9) . . . . ?
O1 Si1 C13 C18 5.8(11) . . . . ?
O2 Si2 C19 C20 19.7(13) . . . . ?
O2 Si2 C19 C24 -154.9(10) . . . . ?
O2 Si2 C25 C26 17.9(10) . . . . ?
O2 Si2 C25 C30 -164.0(9) . . . . ?
O2 Si2 C31 C32 -103.4(10) . . . . ?
O2 Si2 C31 C36 73.7(10) . . . . ?
O3 Si3 C37 C38 37.0(11) . . . . ?
O3 Si3 C37 C42 -142.6(10) . . . . ?
O3 Si3 C43 C44 70.5(10) . . . . ?
O3 Si3 C43 C48 -108.9(10) . . . . ?
O3 Si3 C49 C50 -170.9(11) . . . . ?
O3 Si3 C49 C54 13.3(12) . . . . ?
O4 C55 C56 C57 23.9(18) . . . . ?
O5 C59 C60 C61 -22.6(15) . . . . ?
O6 C63 C64 C65 30(2) . . . . ?
O6 C63 C64' C65' 18(6) . . . . ?
C1 Si1 C7 C8 -42.5(11) . . . . ?
C1 Si1 C7 C12 140.1(10) . . . . ?
C1 Si1 C13 C14 -53.1(11) . . . . ?
C1 Si1 C13 C18 128.3(9) . . . . ?
C1 C2 C3 C4 -3(2) . . . . ?
C2 C1 C6 C5 0.7(16) . . . . ?
C2 C3 C4 C5 3(2) . . . . ?
C3 C4 C5 C6 -0.8(19) . . . . ?
C4 C5 C6 C1 -0.8(17) . . . . ?
C6 C1 C2 C3 1.1(18) . . . . ?
C7 Si1 C1 C2 141.4(9) . . . . ?
C7 Si1 C1 C6 -38.0(11) . . . . ?
C7 Si1 C13 C14 62.7(11) . . . . ?
C7 Si1 C13 C18 -115.9(10) . . . . ?
C7 C8 C9 C10 -0.3(19) . . . . ?
C8 C7 C12 C11 2.6(17) . . . . ?
C8 C9 C10 C11 0.7(19) . . . . ?
C9 C10 C11 C12 0.5(19) . . . . ?
C10 C11 C12 C7 -2.3(19) . . . . ?
C12 C7 C8 C9 -1.3(17) . . . . ?
C13 Si1 C1 C2 -103.6(9) . . . . ?
C13 Si1 C1 C6 77.0(11) . . . . ?
C13 Si1 C7 C8 -160.0(9) . . . . ?
C13 Si1 C7 C12 22.7(12) . . . . ?
C13 C14 C15 C16 0.6(19) . . . . ?
C14 C13 C18 C17 1.9(16) . . . . ?
C14 C15 C16 C17 1(2) . . . . ?
C15 C16 C17 C18 -0.5(19) . . . . ?
C16 C17 C18 C13 -0.8(18) . . . . ?
C18 C13 C14 C15 -1.8(17) . . . . ?
C19 Si2 C25 C26 140.6(9) . . . . ?
C19 Si2 C25 C30 -41.4(11) . . . . ?
C19 Si2 C31 C32 136.5(10) . . . . ?
C19 Si2 C31 C36 -46.4(11) . . . . ?
C19 C20 C21 C22 0(2) . . . . ?
C20 C19 C24 C23 1(2) . . . . ?
C20 C21 C22 C23 1(2) . . . . ?
C21 C22 C23 C24 -2(2) . . . . ?
C22 C23 C24 C19 0(2) . . . . ?
C24 C19 C20 C21 -1(2) . . . . ?
C25 Si2 C19 C20 -103.1(12) . . . . ?
C25 Si2 C19 C24 82.3(12) . . . . ?
C25 Si2 C31 C32 16.9(12) . . . . ?
C25 Si2 C31 C36 -166.0(9) . . . . ?
C25 C26 C27 C28 -1(2) . . . . ?
C26 C25 C30 C29 2.6(16) . . . . ?
C26 C27 C28 C29 2(2) . . . . ?
C27 C28 C29 C30 0(2) . . . . ?
C28 C29 C30 C25 -2.3(19) . . . . ?
C30 C25 C26 C27 -0.7(17) . . . . ?
C31 Si2 C19 C20 140.0(11) . . . . ?
C31 Si2 C19 C24 -34.7(12) . . . . ?
C31 Si2 C25 C26 -102.4(9) . . . . ?
C31 Si2 C25 C30 75.6(10) . . . . ?
C31 C32 C33 C34 -1(2) . . . . ?
C32 C31 C36 C35 2.2(17) . . . . ?
C32 C33 C34 C35 2(2) . . . . ?
C33 C34 C35 C36 -1(2) . . . . ?
C34 C35 C36 C31 -1.3(19) . . . . ?
C36 C31 C32 C33 -1.1(18) . . . . ?
C37 Si3 O3 Dy1 -77(3) . . . . ?
C37 Si3 C43 C44 -50.9(10) . . . . ?
C37 Si3 C43 C48 129.7(10) . . . . ?
C37 Si3 C49 C50 -48.7(13) . . . . ?
C37 Si3 C49 C54 135.6(11) . . . . ?
C37 C38 C39 C40 1.4(19) . . . . ?
C38 C37 C42 C41 0.4(17) . . . . ?
C38 C39 C40 C41 -2(2) . . . . ?
C39 C40 C41 C42 2(2) . . . . ?
C40 C41 C42 C37 -0.9(19) . . . . ?
C42 C37 C38 C39 -0.7(17) . . . . ?
C43 Si3 O3 Dy1 163(2) . . . . ?
C43 Si3 C37 C38 160.2(9) . . . . ?
C43 Si3 C37 C42 -19.4(12) . . . . ?
C43 Si3 C49 C50 65.9(12) . . . . ?
C43 Si3 C49 C54 -109.9(11) . . . . ?
C43 C44 C45 C46 -0.6(18) . . . . ?
C44 C43 C48 C47 -0.3(18) . . . . ?
C44 C45 C46 C47 -0.2(19) . . . . ?
C45 C46 C47 C48 1(2) . . . . ?
C46 C47 C48 C43 0(2) . . . . ?
C48 C43 C44 C45 0.9(16) . . . . ?
C49 Si3 O3 Dy1 45(3) . . . . ?
C49 Si3 C37 C38 -85.4(10) . . . . ?
C49 Si3 C37 C42 95.0(11) . . . . ?
C49 Si3 C43 C44 -167.9(9) . . . . ?
C49 Si3 C43 C48 12.7(12) . . . . ?
C49 C50 C51 C52 2(2) . . . . ?
C50 C49 C54 C53 0(2) . . . . ?
C50 C51 C52 C53 -2.4(19) . . . . ?
C51 C52 C53 C54 1.7(19) . . . . ?
C52 C53 C54 C49 0(2) . . . . ?
C54 C49 C50 C51 -0.3(19) . . . . ?
C55 O4 C58 C57 -10.2(18) . . . . ?
C55 C56 C57 C58 -30(2) . . . . ?
C56 C57 C58 O4 25(2) . . . . ?
C58 O4 C55 C56 -8.3(16) . . . . ?
C59 O5 C62 C61 -47.1(16) . . . . ?
C59 C60 C61 C62 -6.5(17) . . . . ?
C60 C61 C62 O5 33.0(18) . . . . ?
C62 O5 C59 C60 44.1(15) . . . . ?
C63 O6 C66 C65 53(3) . . . . ?
C63 O6 C66' C65' -37(5) . . . . ?
C63 C64 C65 C66 -2(3) . . . . ?
C63 C64' C65' C66' -40(6) . . . . ?
C64 C65 C66 O6 -28(3) . . . . ?
C64' C65' C66' O6 47(6) . . . . ?
C66 O6 C63 C64 -50(2) . . . . ?
C66' O6 C63 C64' 14(4) . . . . ?
O1S C1S C2S C3S -29.2(13) . . . . ?
C1S O1S C4S C3S 17.6(14) . . . . ?
C1S C2S C3S C4S 38.2(13) . . . . ?
C2S C3S C4S O1S -35.4(13) . . . . ?
C4S O1S C1S C2S 7.7(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.983(15)
2 0.017(15)

####################################################################### 
# 
# 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_dyosiph3bipy
_database_code_depnum_ccdc_archive 'CCDC 2095671'
loop_
_audit_author_name
_audit_author_address
'Anton Cherkasov'
;IOMC RAS
Russia
;
_audit_update_record             
;
2021-07-10 deposited with the CCDC.	2021-11-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C68 H61 Dy N2 O4 Si3, C4 H8 O'
_chemical_formula_sum            'C72 H69 Dy N2 O5 Si3'
_chemical_formula_weight         1289.06

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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+1/2, -z'

_cell_length_a                   14.2745(4)
_cell_length_b                   16.2901(5)
_cell_length_c                   15.0762(4)
_cell_angle_alpha                90
_cell_angle_beta                 115.8060(10)
_cell_angle_gamma                90
_cell_volume                     3156.10(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9830
_cell_measurement_theta_min      2.72
_cell_measurement_theta_max      30.56

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_F_000             1326
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    1.293
_shelx_estimated_absorpt_T_min   0.782
_shelx_estimated_absorpt_T_max   0.938
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.802
_exptl_absorpt_correction_T_max  0.875
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'microfocus tube'
_diffrn_measurement_device_type  'Bruker D8 Quest (CMOS)'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            52387
_diffrn_reflns_av_unetI/netI     0.0610
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.501
_diffrn_reflns_theta_max         30.111
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             18482
_reflns_number_gt                15818
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.930
_reflns_Friedel_fraction_max     0.992
_reflns_Friedel_fraction_full    0.992

_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       APEX3
_computing_cell_refinement       'Saint 8.37a'
_computing_data_reduction        'Saint 8.37a'
_computing_structure_solution    'SHELXT 2018/2'
_computing_structure_refinement  'SHELXL 2018/3'
_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)+(0.0201P)²+0.6729P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_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_abs_structure_details 
;
 Flack x determined using 6626 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.024(2)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         18482
_refine_ls_number_parameters     796
_refine_ls_number_restraints     136
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0349
_refine_ls_wR_factor_ref         0.0572
_refine_ls_wR_factor_gt          0.0539
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.031
_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
Dy1 Dy 0.27877(2) 0.62812(2) 0.15833(2) 0.01534(4) Uani 1 1 d . . . . .
Si1 Si 0.54047(8) 0.55522(7) 0.20158(8) 0.0184(2) Uani 1 1 d . . . . .
Si2 Si 0.23585(8) 0.48330(7) 0.32694(8) 0.0198(2) Uani 1 1 d . . . . .
Si3 Si 0.13372(9) 0.54643(7) -0.09144(8) 0.0223(2) Uani 1 1 d . . . . .
O1 O 0.42688(19) 0.57811(17) 0.18827(19) 0.0224(6) Uani 1 1 d . . . . .
O2 O 0.2411(2) 0.54433(17) 0.24686(19) 0.0229(6) Uani 1 1 d . . . . .
O3 O 0.1982(2) 0.59906(16) 0.00531(18) 0.0266(7) Uani 1 1 d . . . . .
N1 N 0.3469(3) 0.7321(2) 0.2955(2) 0.0217(7) Uani 1 1 d . . . . .
N2 N 0.3455(3) 0.7625(2) 0.1214(2) 0.0257(8) Uani 1 1 d . . . . .
C1 C 0.5523(3) 0.5764(2) 0.0837(3) 0.0213(8) Uani 1 1 d . . . . .
C2 C 0.4633(3) 0.5969(2) -0.0020(3) 0.0253(9) Uani 1 1 d . . . . .
H2A H 0.397206 0.596107 -0.001015 0.030 Uiso 1 1 calc R U . . .
C3 C 0.4698(3) 0.6183(4) -0.0882(3) 0.0323(11) Uani 1 1 d . . . . .
H3A H 0.408355 0.632265 -0.145184 0.039 Uiso 1 1 calc R U . . .
C4 C 0.5646(3) 0.6195(4) -0.0920(3) 0.0366(11) Uani 1 1 d . . . . .
H4A H 0.568941 0.635185 -0.150764 0.044 Uiso 1 1 calc R U . . .
C5 C 0.6534(3) 0.5975(3) -0.0090(3) 0.0327(11) Uani 1 1 d . . . . .
H5A H 0.718765 0.596620 -0.011429 0.039 Uiso 1 1 calc R U . . .
C6 C 0.6473(3) 0.5767(3) 0.0776(3) 0.0274(9) Uani 1 1 d . . . . .
H6A H 0.709110 0.562426 0.134059 0.033 Uiso 1 1 calc R U . . .
C7 C 0.6416(2) 0.6190(4) 0.3005(2) 0.0195(9) Uani 1 1 d . . . . .
C8 C 0.6478(3) 0.7030(3) 0.2828(3) 0.0328(10) Uani 1 1 d . . . . .
H8A H 0.602446 0.725002 0.220376 0.039 Uiso 1 1 calc R U . . .
C9 C 0.7179(4) 0.7550(3) 0.3533(4) 0.0397(12) Uani 1 1 d . . . . .
H9A H 0.718838 0.811812 0.339629 0.048 Uiso 1 1 calc R U . . .
C10 C 0.7858(4) 0.7240(3) 0.4430(4) 0.0384(12) Uani 1 1 d . . . . .
H10A H 0.835881 0.758834 0.490682 0.046 Uiso 1 1 calc R U . . .
C11 C 0.7810(3) 0.6413(4) 0.4639(3) 0.0371(14) Uani 1 1 d . . . . .
H11A H 0.826913 0.619692 0.526347 0.045 Uiso 1 1 calc R U . . .
C12 C 0.7089(3) 0.5906(3) 0.3930(3) 0.0291(10) Uani 1 1 d . . . . .
H12A H 0.705593 0.534462 0.408546 0.035 Uiso 1 1 calc R U . . .
C13 C 0.5693(3) 0.4445(2) 0.2366(3) 0.0199(8) Uani 1 1 d . . . . .
C14 C 0.6565(3) 0.4042(3) 0.2390(3) 0.0289(10) Uani 1 1 d . . . . .
H14A H 0.704016 0.433952 0.222559 0.035 Uiso 1 1 calc R U . . .
C15 C 0.6760(4) 0.3222(3) 0.2647(3) 0.0343(11) Uani 1 1 d . . . . .
H15A H 0.736788 0.296673 0.266927 0.041 Uiso 1 1 calc R U . . .
C16 C 0.6069(4) 0.2777(3) 0.2871(3) 0.0311(10) Uani 1 1 d . . . . .
H16A H 0.619383 0.221230 0.304017 0.037 Uiso 1 1 calc R U . . .
C17 C 0.5197(3) 0.3156(3) 0.2849(3) 0.0319(10) Uani 1 1 d . . . . .
H17A H 0.472027 0.285337 0.300514 0.038 Uiso 1 1 calc R U . . .
C18 C 0.5015(3) 0.3976(3) 0.2599(3) 0.0263(9) Uani 1 1 d . . . . .
H18A H 0.440901 0.422809 0.258556 0.032 Uiso 1 1 calc R U . . .
C19 C 0.3434(3) 0.5100(3) 0.4514(3) 0.0242(10) Uani 1 1 d . . . . .
C20 C 0.4399(3) 0.5331(3) 0.4578(3) 0.0307(10) Uani 1 1 d . . . . .
H20A H 0.451717 0.530000 0.400581 0.037 Uiso 1 1 calc R U . . .
C21 C 0.5198(4) 0.5608(3) 0.5457(4) 0.0441(13) Uani 1 1 d . . . . .
H21A H 0.585169 0.575691 0.548049 0.053 Uiso 1 1 calc R U . . .
C22 C 0.5037(4) 0.5665(3) 0.6291(4) 0.0462(14) Uani 1 1 d . . . . .
H22A H 0.557573 0.586466 0.688649 0.055 Uiso 1 1 calc R U . . .
C23 C 0.4092(4) 0.5431(3) 0.6262(3) 0.0396(12) Uani 1 1 d . . . . .
H23A H 0.398424 0.546415 0.684064 0.048 Uiso 1 1 calc R U . . .
C24 C 0.3298(3) 0.5148(3) 0.5384(3) 0.0307(10) Uani 1 1 d . . . . .
H24A H 0.265352 0.498508 0.537224 0.037 Uiso 1 1 calc R U . . .
C25 C 0.1078(3) 0.4961(3) 0.3321(3) 0.0223(9) Uani 1 1 d . . . . .
C26 C 0.0849(3) 0.5658(3) 0.3722(3) 0.0312(10) Uani 1 1 d . . . . .
H26A H 0.138995 0.603921 0.406675 0.037 Uiso 1 1 calc R U . . .
C27 C -0.0141(3) 0.5816(3) 0.3634(3) 0.0356(11) Uani 1 1 d . . . . .
H27A H -0.027868 0.630226 0.390393 0.043 Uiso 1 1 calc R U . . .
C28 C -0.0925(3) 0.5257(3) 0.3150(3) 0.0422(13) Uani 1 1 d . . . . .
H28A H -0.160450 0.535378 0.309353 0.051 Uiso 1 1 calc R U . . .
C29 C -0.0725(4) 0.4564(4) 0.2750(4) 0.0468(14) Uani 1 1 d . . . . .
H29A H -0.127074 0.418460 0.241165 0.056 Uiso 1 1 calc R U . . .
C30 C 0.0263(3) 0.4407(3) 0.2832(3) 0.0323(10) Uani 1 1 d . . . . .
H30A H 0.038894 0.392031 0.255443 0.039 Uiso 1 1 calc R U . . .
C31 C 0.2481(3) 0.3741(2) 0.2941(3) 0.0245(9) Uani 1 1 d . . . . .
C32 C 0.2644(4) 0.3093(3) 0.3595(4) 0.0444(13) Uani 1 1 d . . . . .
H32A H 0.274664 0.320395 0.424930 0.053 Uiso 1 1 calc R U . . .
C33 C 0.2659(5) 0.2285(3) 0.3304(5) 0.0570(17) Uani 1 1 d . . . . .
H33A H 0.273944 0.184990 0.375032 0.068 Uiso 1 1 calc R U . . .
C34 C 0.2559(4) 0.2114(3) 0.2382(5) 0.0535(16) Uani 1 1 d . . . . .
H34A H 0.257121 0.155956 0.219049 0.064 Uiso 1 1 calc R U . . .
C35 C 0.2440(4) 0.2737(3) 0.1728(4) 0.0460(14) Uani 1 1 d . . . . .
H35A H 0.239384 0.261976 0.109299 0.055 Uiso 1 1 calc R U . . .
C36 C 0.2388(3) 0.3545(3) 0.2012(3) 0.0334(11) Uani 1 1 d . . . . .
H36A H 0.228489 0.397432 0.155234 0.040 Uiso 1 1 calc R U . . .
C37 C 0.0014(3) 0.5193(2) -0.0999(3) 0.0269(9) Uani 1 1 d . . . . .
C38 C -0.0093(4) 0.5056(3) -0.0137(4) 0.0397(12) Uani 1 1 d . . . . .
H38A H 0.049809 0.510566 0.048061 0.048 Uiso 1 1 calc R U . . .
C39 C -0.1050(5) 0.4847(4) -0.0163(4) 0.0546(15) Uani 1 1 d . . . . .
H39A H -0.111046 0.477481 0.043561 0.066 Uiso 1 1 calc R U . . .
C40 C -0.1905(4) 0.4746(3) -0.1045(5) 0.0507(14) Uani 1 1 d . . . . .
H40A H -0.255289 0.459114 -0.105875 0.061 Uiso 1 1 calc R U . . .
C41 C -0.1825(4) 0.4869(3) -0.1910(4) 0.0438(13) Uani 1 1 d . . . . .
H41A H -0.241827 0.479965 -0.252340 0.053 Uiso 1 1 calc R U . . .
C42 C -0.0874(3) 0.5095(3) -0.1890(3) 0.0334(10) Uani 1 1 d . . . . .
H42A H -0.082820 0.518349 -0.249329 0.040 Uiso 1 1 calc R U . . .
C43 C 0.2027(3) 0.4478(3) -0.0893(3) 0.0276(9) Uani 1 1 d . . . . .
C44 C 0.2948(3) 0.4258(3) -0.0088(3) 0.0275(9) Uani 1 1 d . . . . .
H44A H 0.323389 0.461745 0.046242 0.033 Uiso 1 1 calc R U . . .
C45 C 0.3456(4) 0.3533(3) -0.0066(3) 0.0372(12) Uani 1 1 d . . . . .
H45A H 0.408077 0.339894 0.049614 0.045 Uiso 1 1 calc R U . . .
C46 C 0.3067(5) 0.3007(3) -0.0847(4) 0.0480(14) Uani 1 1 d . . . . .
H46A H 0.342340 0.251106 -0.083214 0.058 Uiso 1 1 calc R U . . .
C47 C 0.2149(5) 0.3200(3) -0.1664(4) 0.0547(16) Uani 1 1 d . . . . .
H47A H 0.187702 0.283791 -0.221190 0.066 Uiso 1 1 calc R U . . .
C48 C 0.1632(4) 0.3924(3) -0.1676(3) 0.0425(13) Uani 1 1 d . . . . .
H48A H 0.099393 0.404476 -0.222911 0.051 Uiso 1 1 calc R U . . .
C49 C 0.1124(3) 0.6043(2) -0.2070(3) 0.0212(9) Uani 1 1 d . . . . .
C50 C 0.1646(3) 0.5856(3) -0.2636(3) 0.0320(10) Uani 1 1 d . . . . .
H50A H 0.213383 0.541795 -0.243898 0.038 Uiso 1 1 calc R U . . .
C51 C 0.1473(3) 0.6293(5) -0.3481(3) 0.0364(9) Uani 1 1 d . . . . .
H51A H 0.183269 0.614827 -0.386061 0.044 Uiso 1 1 calc R U . . .
C52 C 0.0778(4) 0.6941(3) -0.3773(3) 0.0360(11) Uani 1 1 d . . . . .
H52A H 0.065682 0.724093 -0.435341 0.043 Uiso 1 1 calc R U . . .
C53 C 0.0267(4) 0.7146(3) -0.3224(3) 0.0382(12) Uani 1 1 d . . . . .
H53A H -0.020670 0.759434 -0.341765 0.046 Uiso 1 1 calc R U . . .
C54 C 0.0437(4) 0.6700(3) -0.2379(3) 0.0316(10) Uani 1 1 d . . . . .
H54A H 0.007368 0.684895 -0.200473 0.038 Uiso 1 1 calc R U . . .
C55 C 0.3373(4) 0.7181(3) 0.3790(3) 0.0307(10) Uani 1 1 d . . . . .
H55A H 0.295543 0.673154 0.380310 0.037 Uiso 1 1 calc R U . . .
C56 C 0.3848(4) 0.7652(3) 0.4630(4) 0.0399(14) Uani 1 1 d . . . . .
H56A H 0.375488 0.753822 0.520380 0.048 Uiso 1 1 calc R U . . .
C57 C 0.4460(4) 0.8291(3) 0.4603(4) 0.0524(15) Uani 1 1 d . . . . .
H57A H 0.481704 0.861907 0.517321 0.063 Uiso 1 1 calc R U . . .
C58 C 0.4561(4) 0.8462(3) 0.3750(3) 0.0459(14) Uani 1 1 d . . . . .
H58A H 0.497977 0.890628 0.372524 0.055 Uiso 1 1 calc R U . . .
C59 C 0.4035(3) 0.7967(2) 0.2926(3) 0.0258(9) Uani 1 1 d . . . . .
C60 C 0.4050(3) 0.8131(2) 0.1968(3) 0.0243(9) Uani 1 1 d . . . . .
C61 C 0.4611(4) 0.8767(3) 0.1815(4) 0.0342(11) Uani 1 1 d . . . . .
H61A H 0.502271 0.911862 0.234459 0.041 Uiso 1 1 calc R U . . .
C62 C 0.4567(4) 0.8888(3) 0.0892(4) 0.0383(12) Uani 1 1 d . . . . .
H62A H 0.495386 0.931824 0.078279 0.046 Uiso 1 1 calc R U . . .
C63 C 0.3958(4) 0.8377(3) 0.0130(4) 0.0387(12) Uani 1 1 d . . . . .
H63A H 0.391314 0.844912 -0.051303 0.046 Uiso 1 1 calc R U . . .
C64 C 0.3414(4) 0.7757(3) 0.0325(3) 0.0343(11) Uani 1 1 d . . . . .
H64A H 0.298810 0.740735 -0.020088 0.041 Uiso 1 1 calc R U . . .
O4 O 0.1209(7) 0.7003(5) 0.1282(6) 0.0297(19) Uani 0.726(15) 1 d D U P A 1
C65 C 0.0830(7) 0.7628(6) 0.0541(8) 0.062(3) Uani 0.726(15) 1 d D U P A 1
H65A H 0.079667 0.741086 -0.008561 0.074 Uiso 0.726(15) 1 calc R U P A 1
H65B H 0.131474 0.810037 0.074466 0.074 Uiso 0.726(15) 1 calc R U P A 1
C66 C -0.0186(6) 0.7895(5) 0.0394(9) 0.061(3) Uani 0.726(15) 1 d D U P A 1
H66A H -0.061087 0.809540 -0.028474 0.073 Uiso 0.726(15) 1 calc R U P A 1
H66B H -0.015857 0.831647 0.087749 0.073 Uiso 0.726(15) 1 calc R U P A 1
C67 C -0.0546(5) 0.7079(5) 0.0582(9) 0.059(3) Uani 0.726(15) 1 d D U P A 1
H67A H -0.070377 0.670150 0.002034 0.070 Uiso 0.726(15) 1 calc R U P A 1
H67B H -0.117350 0.713843 0.069840 0.070 Uiso 0.726(15) 1 calc R U P A 1
C68 C 0.0357(6) 0.6772(7) 0.1487(7) 0.038(2) Uani 0.726(15) 1 d D U P A 1
H68A H 0.039532 0.704522 0.208872 0.045 Uiso 0.726(15) 1 calc R U P A 1
H68B H 0.032502 0.617024 0.155866 0.045 Uiso 0.726(15) 1 calc R U P A 1
O4* O 0.1294(17) 0.7058(11) 0.1576(16) 0.028(5) Uani 0.274(15) 1 d D U P A 2
C65* C 0.0990(13) 0.7857(12) 0.116(2) 0.051(6) Uani 0.274(15) 1 d D U P A 2
H65C H 0.116864 0.793937 0.060165 0.062 Uiso 0.274(15) 1 calc R U P A 2
H65D H 0.133816 0.828728 0.166085 0.062 Uiso 0.274(15) 1 calc R U P A 2
C66* C -0.0143(13) 0.7884(12) 0.0823(17) 0.041(6) Uani 0.274(15) 1 d D U P A 2
H66C H -0.050388 0.785285 0.009554 0.049 Uiso 0.274(15) 1 calc R U P A 2
H66D H -0.034500 0.840397 0.103416 0.049 Uiso 0.274(15) 1 calc R U P A 2
C67* C -0.0439(13) 0.7175(11) 0.1264(19) 0.042(5) Uani 0.274(15) 1 d D U P A 2
H67C H -0.075828 0.736548 0.169274 0.050 Uiso 0.274(15) 1 calc R U P A 2
H67D H -0.094391 0.681996 0.074114 0.050 Uiso 0.274(15) 1 calc R U P A 2
C68* C 0.0535(15) 0.6718(18) 0.1847(19) 0.038(6) Uani 0.274(15) 1 d D U P A 2
H68C H 0.074954 0.679029 0.256147 0.046 Uiso 0.274(15) 1 calc R U P A 2
H68D H 0.044011 0.612519 0.168985 0.046 Uiso 0.274(15) 1 calc R U P A 2
O1S O 0.9934(3) 0.3121(2) 0.5916(3) 0.0569(10) Uani 1 1 d D . . . .
C1S C 1.0163(4) 0.3867(3) 0.5547(4) 0.0562(16) Uani 1 1 d D . . . .
H1SA H 1.007468 0.379081 0.486322 0.067 Uiso 1 1 calc R U . . .
H1SB H 1.088873 0.404123 0.596268 0.067 Uiso 1 1 calc R U . . .
C2S C 0.9413(4) 0.4496(3) 0.5578(4) 0.0472(13) Uani 1 1 d D . . . .
H2SA H 0.969828 0.478690 0.621835 0.057 Uiso 1 1 calc R U . . .
H2SB H 0.923812 0.490294 0.504106 0.057 Uiso 1 1 calc R U . . .
C3S C 0.8488(4) 0.3993(3) 0.5441(4) 0.0568(15) Uani 1 1 d D . . . .
H3SA H 0.808281 0.425871 0.575289 0.068 Uiso 1 1 calc R U . . .
H3SB H 0.802900 0.390540 0.473272 0.068 Uiso 1 1 calc R U . . .
C4S C 0.8950(5) 0.3207(4) 0.5938(5) 0.073(2) Uani 1 1 d D . . . .
H4SA H 0.904038 0.321474 0.662713 0.087 Uiso 1 1 calc R U . . .
H4SB H 0.848940 0.274255 0.559050 0.087 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.123(2) . ?
Dy1 O2 2.135(3) . ?
Dy1 O3 2.135(2) . ?
Dy1 O4 2.402(8) . ?
Dy1 O4* 2.48(2) . ?
Dy1 N1 2.518(3) . ?
Dy1 N2 2.543(3) . ?
Si1 O1 1.589(3) . ?
Si1 C13 1.875(4) . ?
Si1 C7 1.874(4) . ?
Si1 C1 1.888(4) . ?
Si2 O2 1.591(3) . ?
Si2 C25 1.874(4) . ?
Si2 C31 1.875(4) . ?
Si2 C19 1.886(5) . ?
Si3 O3 1.594(3) . ?
Si3 C43 1.877(4) . ?
Si3 C49 1.885(4) . ?
Si3 C37 1.889(4) . ?
N1 C59 1.338(5) . ?
N1 C55 1.344(5) . ?
N2 C64 1.333(5) . ?
N2 C60 1.360(5) . ?
C1 C6 1.399(5) . ?
C1 C2 1.402(5) . ?
C2 C3 1.387(5) . ?
C2 H2A 0.9500 . ?
C3 C4 1.379(5) . ?
C3 H3A 0.9500 . ?
C4 C5 1.385(6) . ?
C4 H4A 0.9500 . ?
C5 C6 1.388(6) . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9500 . ?
C7 C12 1.385(5) . ?
C7 C8 1.405(7) . ?
C8 C9 1.386(6) . ?
C8 H8A 0.9500 . ?
C9 C10 1.372(7) . ?
C9 H9A 0.9500 . ?
C10 C11 1.392(8) . ?
C10 H10A 0.9500 . ?
C11 C12 1.388(6) . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 C14 1.393(6) . ?
C13 C18 1.392(5) . ?
C14 C15 1.386(6) . ?
C14 H14A 0.9500 . ?
C15 C16 1.380(6) . ?
C15 H15A 0.9500 . ?
C16 C17 1.376(6) . ?
C16 H16A 0.9500 . ?
C17 C18 1.382(6) . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
C19 C20 1.390(6) . ?
C19 C24 1.409(6) . ?
C20 C21 1.395(6) . ?
C20 H20A 0.9500 . ?
C21 C22 1.375(7) . ?
C21 H21A 0.9500 . ?
C22 C23 1.385(7) . ?
C22 H22A 0.9500 . ?
C23 C24 1.394(6) . ?
C23 H23A 0.9500 . ?
C24 H24A 0.9500 . ?
C25 C26 1.390(6) . ?
C25 C30 1.402(6) . ?
C26 C27 1.385(6) . ?
C26 H26A 0.9500 . ?
C27 C28 1.379(7) . ?
C27 H27A 0.9500 . ?
C28 C29 1.367(7) . ?
C28 H28A 0.9500 . ?
C29 C30 1.384(6) . ?
C29 H29A 0.9500 . ?
C30 H30A 0.9500 . ?
C31 C36 1.386(6) . ?
C31 C32 1.393(6) . ?
C32 C33 1.389(7) . ?
C32 H32A 0.9500 . ?
C33 C34 1.363(8) . ?
C33 H33A 0.9500 . ?
C34 C35 1.373(8) . ?
C34 H34A 0.9500 . ?
C35 C36 1.396(7) . ?
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
C37 C38 1.391(6) . ?
C37 C42 1.398(6) . ?
C38 C39 1.392(7) . ?
C38 H38A 0.9500 . ?
C39 C40 1.368(7) . ?
C39 H39A 0.9500 . ?
C40 C41 1.373(7) . ?
C40 H40A 0.9500 . ?
C41 C42 1.395(7) . ?
C41 H41A 0.9500 . ?
C42 H42A 0.9500 . ?
C43 C44 1.393(6) . ?
C43 C48 1.395(6) . ?
C44 C45 1.379(6) . ?
C44 H44A 0.9500 . ?
C45 C46 1.363(7) . ?
C45 H45A 0.9500 . ?
C46 C47 1.388(7) . ?
C46 H46A 0.9500 . ?
C47 C48 1.388(7) . ?
C47 H47A 0.9500 . ?
C48 H48A 0.9500 . ?
C49 C54 1.388(5) . ?
C49 C50 1.389(6) . ?
C50 C51 1.384(6) . ?
C50 H50A 0.9500 . ?
C51 C52 1.383(8) . ?
C51 H51A 0.9500 . ?
C52 C53 1.362(6) . ?
C52 H52A 0.9500 . ?
C53 C54 1.393(6) . ?
C53 H53A 0.9500 . ?
C54 H54A 0.9500 . ?
C55 C56 1.380(6) . ?
C55 H55A 0.9500 . ?
C56 C57 1.371(7) . ?
C56 H56A 0.9500 . ?
C57 C58 1.383(7) . ?
C57 H57A 0.9500 . ?
C58 C59 1.394(6) . ?
C58 H58A 0.9500 . ?
C59 C60 1.479(6) . ?
C60 C61 1.389(6) . ?
C61 C62 1.380(6) . ?
C61 H61A 0.9500 . ?
C62 C63 1.378(7) . ?
C62 H62A 0.9500 . ?
C63 C64 1.382(6) . ?
C63 H63A 0.9500 . ?
C64 H64A 0.9500 . ?
O4 C68 1.430(6) . ?
O4 C65 1.432(6) . ?
C65 C66 1.436(7) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 C67 1.497(7) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 C68 1.496(6) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
O4* C68* 1.425(8) . ?
O4* C65* 1.429(8) . ?
C65* C66* 1.470(8) . ?
C65* H65C 0.9900 . ?
C65* H65D 0.9900 . ?
C66* C67* 1.482(8) . ?
C66* H66C 0.9900 . ?
C66* H66D 0.9900 . ?
C67* C68* 1.482(8) . ?
C67* H67C 0.9900 . ?
C67* H67D 0.9900 . ?
C68* H68C 0.9900 . ?
C68* H68D 0.9900 . ?
O1S C4S 1.426(5) . ?
O1S C1S 1.433(5) . ?
C1S C2S 1.497(5) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C2S C3S 1.490(6) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
C3S C4S 1.485(6) . ?
C3S H3SA 0.9900 . ?
C3S H3SB 0.9900 . ?
C4S H4SA 0.9900 . ?
C4S H4SB 0.9900 . ?

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
O1 Dy1 O2 96.91(10) . . ?
O1 Dy1 O3 99.37(10) . . ?
O2 Dy1 O3 111.70(10) . . ?
O1 Dy1 O4 173.2(2) . . ?
O2 Dy1 O4 87.74(19) . . ?
O3 Dy1 O4 83.3(2) . . ?
O1 Dy1 O4* 166.7(6) . . ?
O2 Dy1 O4* 83.0(4) . . ?
O3 Dy1 O4* 92.9(5) . . ?
O1 Dy1 N1 95.22(11) . . ?
O2 Dy1 N1 91.67(10) . . ?
O3 Dy1 N1 150.48(10) . . ?
O4 Dy1 N1 79.7(2) . . ?
O4* Dy1 N1 71.6(5) . . ?
O1 Dy1 N2 86.75(10) . . ?
O2 Dy1 N2 155.12(11) . . ?
O3 Dy1 N2 91.80(11) . . ?
O4 Dy1 N2 87.0(2) . . ?
O4* Dy1 N2 87.9(4) . . ?
N1 Dy1 N2 63.46(11) . . ?
O1 Si1 C13 110.38(16) . . ?
O1 Si1 C7 111.11(17) . . ?
C13 Si1 C7 108.1(2) . . ?
O1 Si1 C1 110.04(16) . . ?
C13 Si1 C1 110.01(17) . . ?
C7 Si1 C1 107.10(17) . . ?
O2 Si2 C25 109.34(16) . . ?
O2 Si2 C31 110.62(17) . . ?
C25 Si2 C31 108.72(18) . . ?
O2 Si2 C19 108.94(18) . . ?
C25 Si2 C19 108.59(19) . . ?
C31 Si2 C19 110.60(19) . . ?
O3 Si3 C43 110.79(17) . . ?
O3 Si3 C49 111.94(16) . . ?
C43 Si3 C49 108.43(18) . . ?
O3 Si3 C37 110.46(17) . . ?
C43 Si3 C37 107.58(19) . . ?
C49 Si3 C37 107.48(18) . . ?
Si1 O1 Dy1 169.71(17) . . ?
Si2 O2 Dy1 169.07(17) . . ?
Si3 O3 Dy1 158.89(17) . . ?
C59 N1 C55 118.2(3) . . ?
C59 N1 Dy1 121.7(3) . . ?
C55 N1 Dy1 119.6(3) . . ?
C64 N2 C60 118.7(4) . . ?
C64 N2 Dy1 120.1(3) . . ?
C60 N2 Dy1 119.7(3) . . ?
C6 C1 C2 117.0(4) . . ?
C6 C1 Si1 123.3(3) . . ?
C2 C1 Si1 119.6(3) . . ?
C3 C2 C1 121.3(4) . . ?
C3 C2 H2A 119.3 . . ?
C1 C2 H2A 119.3 . . ?
C4 C3 C2 120.6(4) . . ?
C4 C3 H3A 119.7 . . ?
C2 C3 H3A 119.7 . . ?
C3 C4 C5 119.2(4) . . ?
C3 C4 H4A 120.4 . . ?
C5 C4 H4A 120.4 . . ?
C4 C5 C6 120.4(4) . . ?
C4 C5 H5A 119.8 . . ?
C6 C5 H5A 119.8 . . ?
C5 C6 C1 121.5(4) . . ?
C5 C6 H6A 119.3 . . ?
C1 C6 H6A 119.3 . . ?
C12 C7 C8 116.3(4) . . ?
C12 C7 Si1 124.9(4) . . ?
C8 C7 Si1 118.7(3) . . ?
C9 C8 C7 122.2(4) . . ?
C9 C8 H8A 118.9 . . ?
C7 C8 H8A 118.9 . . ?
C10 C9 C8 119.7(5) . . ?
C10 C9 H9A 120.1 . . ?
C8 C9 H9A 120.1 . . ?
C9 C10 C11 119.7(4) . . ?
C9 C10 H10A 120.1 . . ?
C11 C10 H10A 120.1 . . ?
C12 C11 C10 119.7(4) . . ?
C12 C11 H11A 120.2 . . ?
C10 C11 H11A 120.2 . . ?
C7 C12 C11 122.2(5) . . ?
C7 C12 H12A 118.9 . . ?
C11 C12 H12A 118.9 . . ?
C14 C13 C18 116.5(4) . . ?
C14 C13 Si1 123.0(3) . . ?
C18 C13 Si1 120.5(3) . . ?
C15 C14 C13 122.0(4) . . ?
C15 C14 H14A 119.0 . . ?
C13 C14 H14A 119.0 . . ?
C16 C15 C14 119.9(4) . . ?
C16 C15 H15A 120.1 . . ?
C14 C15 H15A 120.1 . . ?
C17 C16 C15 119.5(4) . . ?
C17 C16 H16A 120.2 . . ?
C15 C16 H16A 120.2 . . ?
C16 C17 C18 120.1(4) . . ?
C16 C17 H17A 119.9 . . ?
C18 C17 H17A 119.9 . . ?
C17 C18 C13 122.0(4) . . ?
C17 C18 H18A 119.0 . . ?
C13 C18 H18A 119.0 . . ?
C20 C19 C24 117.0(4) . . ?
C20 C19 Si2 118.9(3) . . ?
C24 C19 Si2 123.8(3) . . ?
C19 C20 C21 122.0(4) . . ?
C19 C20 H20A 119.0 . . ?
C21 C20 H20A 119.0 . . ?
C22 C21 C20 119.8(5) . . ?
C22 C21 H21A 120.1 . . ?
C20 C21 H21A 120.1 . . ?
C21 C22 C23 120.1(5) . . ?
C21 C22 H22A 120.0 . . ?
C23 C22 H22A 120.0 . . ?
C22 C23 C24 119.9(4) . . ?
C22 C23 H23A 120.1 . . ?
C24 C23 H23A 120.1 . . ?
C23 C24 C19 121.2(4) . . ?
C23 C24 H24A 119.4 . . ?
C19 C24 H24A 119.4 . . ?
C26 C25 C30 117.1(4) . . ?
C26 C25 Si2 121.8(3) . . ?
C30 C25 Si2 120.5(3) . . ?
C27 C26 C25 122.2(4) . . ?
C27 C26 H26A 118.9 . . ?
C25 C26 H26A 118.9 . . ?
C28 C27 C26 119.1(4) . . ?
C28 C27 H27A 120.4 . . ?
C26 C27 H27A 120.4 . . ?
C29 C28 C27 120.1(4) . . ?
C29 C28 H28A 119.9 . . ?
C27 C28 H28A 119.9 . . ?
C28 C29 C30 120.8(5) . . ?
C28 C29 H29A 119.6 . . ?
C30 C29 H29A 119.6 . . ?
C29 C30 C25 120.6(4) . . ?
C29 C30 H30A 119.7 . . ?
C25 C30 H30A 119.7 . . ?
C36 C31 C32 116.9(4) . . ?
C36 C31 Si2 120.4(3) . . ?
C32 C31 Si2 122.6(4) . . ?
C33 C32 C31 121.0(5) . . ?
C33 C32 H32A 119.5 . . ?
C31 C32 H32A 119.5 . . ?
C34 C33 C32 120.5(5) . . ?
C34 C33 H33A 119.8 . . ?
C32 C33 H33A 119.8 . . ?
C33 C34 C35 120.4(5) . . ?
C33 C34 H34A 119.8 . . ?
C35 C34 H34A 119.8 . . ?
C34 C35 C36 118.9(5) . . ?
C34 C35 H35A 120.5 . . ?
C36 C35 H35A 120.5 . . ?
C31 C36 C35 122.2(5) . . ?
C31 C36 H36A 118.9 . . ?
C35 C36 H36A 118.9 . . ?
C38 C37 C42 117.2(4) . . ?
C38 C37 Si3 119.2(3) . . ?
C42 C37 Si3 123.6(3) . . ?
C39 C38 C37 121.3(5) . . ?
C39 C38 H38A 119.4 . . ?
C37 C38 H38A 119.4 . . ?
C40 C39 C38 120.3(5) . . ?
C40 C39 H39A 119.8 . . ?
C38 C39 H39A 119.8 . . ?
C39 C40 C41 119.9(5) . . ?
C39 C40 H40A 120.1 . . ?
C41 C40 H40A 120.1 . . ?
C40 C41 C42 120.1(5) . . ?
C40 C41 H41A 120.0 . . ?
C42 C41 H41A 120.0 . . ?
C41 C42 C37 121.2(4) . . ?
C41 C42 H42A 119.4 . . ?
C37 C42 H42A 119.4 . . ?
C44 C43 C48 116.8(4) . . ?
C44 C43 Si3 121.6(3) . . ?
C48 C43 Si3 121.5(3) . . ?
C45 C44 C43 121.9(4) . . ?
C45 C44 H44A 119.1 . . ?
C43 C44 H44A 119.1 . . ?
C46 C45 C44 120.3(5) . . ?
C46 C45 H45A 119.8 . . ?
C44 C45 H45A 119.8 . . ?
C45 C46 C47 119.8(4) . . ?
C45 C46 H46A 120.1 . . ?
C47 C46 H46A 120.1 . . ?
C48 C47 C46 119.7(5) . . ?
C48 C47 H47A 120.2 . . ?
C46 C47 H47A 120.2 . . ?
C47 C48 C43 121.5(5) . . ?
C47 C48 H48A 119.3 . . ?
C43 C48 H48A 119.3 . . ?
C54 C49 C50 116.9(4) . . ?
C54 C49 Si3 120.1(3) . . ?
C50 C49 Si3 123.0(3) . . ?
C51 C50 C49 121.6(4) . . ?
C51 C50 H50A 119.2 . . ?
C49 C50 H50A 119.2 . . ?
C50 C51 C52 120.1(4) . . ?
C50 C51 H51A 120.0 . . ?
C52 C51 H51A 120.0 . . ?
C53 C52 C51 119.6(4) . . ?
C53 C52 H52A 120.2 . . ?
C51 C52 H52A 120.2 . . ?
C52 C53 C54 120.0(4) . . ?
C52 C53 H53A 120.0 . . ?
C54 C53 H53A 120.0 . . ?
C49 C54 C53 121.8(4) . . ?
C49 C54 H54A 119.1 . . ?
C53 C54 H54A 119.1 . . ?
N1 C55 C56 123.7(4) . . ?
N1 C55 H55A 118.1 . . ?
C56 C55 H55A 118.1 . . ?
C57 C56 C55 117.4(5) . . ?
C57 C56 H56A 121.3 . . ?
C55 C56 H56A 121.3 . . ?
C56 C57 C58 120.3(5) . . ?
C56 C57 H57A 119.8 . . ?
C58 C57 H57A 119.8 . . ?
C57 C58 C59 118.6(4) . . ?
C57 C58 H58A 120.7 . . ?
C59 C58 H58A 120.7 . . ?
N1 C59 C58 121.6(4) . . ?
N1 C59 C60 116.1(4) . . ?
C58 C59 C60 122.3(4) . . ?
N2 C60 C61 120.6(4) . . ?
N2 C60 C59 115.9(3) . . ?
C61 C60 C59 123.5(4) . . ?
C62 C61 C60 119.8(4) . . ?
C62 C61 H61A 120.1 . . ?
C60 C61 H61A 120.1 . . ?
C63 C62 C61 119.3(4) . . ?
C63 C62 H62A 120.3 . . ?
C61 C62 H62A 120.3 . . ?
C62 C63 C64 118.2(4) . . ?
C62 C63 H63A 120.9 . . ?
C64 C63 H63A 120.9 . . ?
N2 C64 C63 123.3(5) . . ?
N2 C64 H64A 118.3 . . ?
C63 C64 H64A 118.3 . . ?
C68 O4 C65 106.7(7) . . ?
C68 O4 Dy1 130.3(5) . . ?
C65 O4 Dy1 120.0(6) . . ?
O4 C65 C66 110.5(7) . . ?
O4 C65 H65A 109.6 . . ?
C66 C65 H65A 109.6 . . ?
O4 C65 H65B 109.6 . . ?
C66 C65 H65B 109.6 . . ?
H65A C65 H65B 108.1 . . ?
C65 C66 C67 96.2(7) . . ?
C65 C66 H66A 112.5 . . ?
C67 C66 H66A 112.5 . . ?
C65 C66 H66B 112.5 . . ?
C67 C66 H66B 112.5 . . ?
H66A C66 H66B 110.0 . . ?
C66 C67 C68 103.8(7) . . ?
C66 C67 H67A 111.0 . . ?
C68 C67 H67A 111.0 . . ?
C66 C67 H67B 111.0 . . ?
C68 C67 H67B 111.0 . . ?
H67A C67 H67B 109.0 . . ?
O4 C68 C67 101.0(6) . . ?
O4 C68 H68A 111.6 . . ?
C67 C68 H68A 111.6 . . ?
O4 C68 H68B 111.6 . . ?
C67 C68 H68B 111.6 . . ?
H68A C68 H68B 109.4 . . ?
C68* O4* C65* 110.9(19) . . ?
C68* O4* Dy1 124.1(14) . . ?
C65* O4* Dy1 124.4(14) . . ?
O4* C65* C66* 104.9(16) . . ?
O4* C65* H65C 110.8 . . ?
C66* C65* H65C 110.8 . . ?
O4* C65* H65D 110.8 . . ?
C66* C65* H65D 110.8 . . ?
H65C C65* H65D 108.8 . . ?
C65* C66* C67* 107.9(14) . . ?
C65* C66* H66C 110.1 . . ?
C67* C66* H66C 110.1 . . ?
C65* C66* H66D 110.1 . . ?
C67* C66* H66D 110.1 . . ?
H66C C66* H66D 108.4 . . ?
C68* C67* C66* 106.3(15) . . ?
C68* C67* H67C 110.5 . . ?
C66* C67* H67C 110.5 . . ?
C68* C67* H67D 110.5 . . ?
C66* C67* H67D 110.5 . . ?
H67C C67* H67D 108.7 . . ?
O4* C68* C67* 105.6(17) . . ?
O4* C68* H68C 110.6 . . ?
C67* C68* H68C 110.6 . . ?
O4* C68* H68D 110.6 . . ?
C67* C68* H68D 110.6 . . ?
H68C C68* H68D 108.8 . . ?
C4S O1S C1S 108.6(4) . . ?
O1S C1S C2S 106.3(4) . . ?
O1S C1S H1SA 110.5 . . ?
C2S C1S H1SA 110.5 . . ?
O1S C1S H1SB 110.5 . . ?
C2S C1S H1SB 110.5 . . ?
H1SA C1S H1SB 108.7 . . ?
C3S C2S C1S 102.8(4) . . ?
C3S C2S H2SA 111.2 . . ?
C1S C2S H2SA 111.2 . . ?
C3S C2S H2SB 111.2 . . ?
C1S C2S H2SB 111.2 . . ?
H2SA C2S H2SB 109.1 . . ?
C4S C3S C2S 103.4(4) . . ?
C4S C3S H3SA 111.1 . . ?
C2S C3S H3SA 111.1 . . ?
C4S C3S H3SB 111.1 . . ?
C2S C3S H3SB 111.1 . . ?
H3SA C3S H3SB 109.0 . . ?
O1S C4S C3S 107.4(5) . . ?
O1S C4S H4SA 110.2 . . ?
C3S C4S H4SA 110.2 . . ?
O1S C4S H4SB 110.2 . . ?
C3S C4S H4SB 110.2 . . ?
H4SA C4S H4SB 108.5 . . ?

_refine_diff_density_max         0.657
_refine_diff_density_min         -0.539
_refine_diff_density_rms         0.082

####################################################################### 
# 
# 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_dyosnph3
_database_code_depnum_ccdc_archive 'CCDC 2095670'
loop_
_audit_author_name
_audit_author_address
'Anton Cherkasov'
;IOMC RAS
Russia
;
_audit_update_record             
;
2021-07-10 deposited with the CCDC.	2021-11-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C52 H62 Dy O6 Sn2, C24 H20 B, C6 H14'
_chemical_formula_sum            'C82 H96 B Dy O6 Sn2'
_chemical_formula_weight         1588.27

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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                   14.2076(6)
_cell_length_b                   14.4956(6)
_cell_length_c                   20.1298(8)
_cell_angle_alpha                75.221(2)
_cell_angle_beta                 83.003(2)
_cell_angle_gamma                64.8030(10)
_cell_volume                     3626.7(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9862
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      29.12

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_F_000             1614
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    1.755
_shelx_estimated_absorpt_T_min   0.699
_shelx_estimated_absorpt_T_max   0.858
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.727
_exptl_absorpt_correction_T_max  0.837
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'microfocus tube'
_diffrn_measurement_device_type  'Bruker D8 Quest (CMOS)'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            51646
_diffrn_reflns_av_unetI/netI     0.0796
_diffrn_reflns_av_R_equivalents  0.0529
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.208
_diffrn_reflns_theta_max         28.787
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             18780
_reflns_number_gt                13051
_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       APEX3
_computing_cell_refinement       'Saint 8.37a'
_computing_data_reduction        'Saint 8.37a'
_computing_structure_solution    'SHELXT 2018/2'
_computing_structure_refinement  'SHELXL 2018/3'
_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)+(0.0237P)²+8.3759P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_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         18780
_refine_ls_number_parameters     899
_refine_ls_number_restraints     210
_refine_ls_R_factor_all          0.0886
_refine_ls_R_factor_gt           0.0452
_refine_ls_wR_factor_ref         0.0901
_refine_ls_wR_factor_gt          0.0787
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.003
_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
Dy1 Dy 0.38881(2) 0.25206(2) 0.25930(2) 0.02113(5) Uani 1 1 d . . . . .
Sn1 Sn 0.32686(2) 0.34626(2) 0.43551(2) 0.01821(7) Uani 1 1 d . . . . .
Sn2 Sn 0.10541(2) 0.29571(2) 0.23249(2) 0.02209(7) Uani 1 1 d . . . . .
O1 O 0.3543(2) 0.3145(2) 0.34542(14) 0.0244(6) Uani 1 1 d . . . . .
O2 O 0.2547(2) 0.2409(2) 0.24014(15) 0.0266(7) Uani 1 1 d . . . . .
O3 O 0.4663(2) 0.0752(2) 0.31831(16) 0.0305(7) Uani 1 1 d . . . . .
O4 O 0.5683(2) 0.2396(2) 0.25640(15) 0.0277(7) Uani 1 1 d . . . . .
O5 O 0.4522(3) 0.1907(3) 0.15408(17) 0.0467(9) Uani 1 1 d . . . . .
O6 O 0.3517(3) 0.4190(3) 0.18586(16) 0.0374(8) Uani 1 1 d . . . . .
C1 C 0.2220(3) 0.5060(3) 0.4316(2) 0.0215(9) Uani 1 1 d . . . . .
C2 C 0.1345(3) 0.5297(3) 0.4748(2) 0.0256(9) Uani 1 1 d . . . . .
H2A H 0.120459 0.474752 0.504931 0.031 Uiso 1 1 calc R U . . .
C3 C 0.0679(3) 0.6331(4) 0.4740(3) 0.0361(12) Uani 1 1 d . . . . .
H3A H 0.009064 0.648825 0.504131 0.043 Uiso 1 1 calc R U . . .
C4 C 0.0871(4) 0.7128(4) 0.4296(3) 0.0412(13) Uani 1 1 d . . . . .
H4A H 0.041373 0.783557 0.428934 0.049 Uiso 1 1 calc R U . . .
C5 C 0.1729(4) 0.6902(4) 0.3859(3) 0.0391(12) Uani 1 1 d . . . . .
H5A H 0.185258 0.745478 0.354782 0.047 Uiso 1 1 calc R U . . .
C6 C 0.2406(3) 0.5878(3) 0.3874(2) 0.0291(10) Uani 1 1 d . . . . .
H6A H 0.300308 0.572842 0.358052 0.035 Uiso 1 1 calc R U . . .
C7 C 0.2590(3) 0.2448(3) 0.4966(2) 0.0206(9) Uani 1 1 d . . . . .
C8 C 0.2474(3) 0.2318(3) 0.5679(2) 0.0253(9) Uani 1 1 d . . . . .
H8A H 0.265992 0.272016 0.590066 0.030 Uiso 1 1 calc R U . . .
C9 C 0.2094(3) 0.1614(4) 0.6063(2) 0.0328(11) Uani 1 1 d . . . . .
H9A H 0.202791 0.153166 0.654743 0.039 Uiso 1 1 calc R U . . .
C10 C 0.1808(3) 0.1027(4) 0.5751(3) 0.0350(11) Uani 1 1 d . . . . .
H10A H 0.155389 0.053601 0.601899 0.042 Uiso 1 1 calc R U . . .
C11 C 0.1898(3) 0.1163(4) 0.5050(3) 0.0340(11) Uani 1 1 d . . . . .
H11A H 0.169048 0.077250 0.483068 0.041 Uiso 1 1 calc R U . . .
C12 C 0.2288(3) 0.1865(3) 0.4655(2) 0.0272(10) Uani 1 1 d . . . . .
H12A H 0.234853 0.194731 0.417036 0.033 Uiso 1 1 calc R U . . .
C13 C 0.4778(3) 0.3071(3) 0.4707(2) 0.0193(8) Uani 1 1 d . . . . .
C14 C 0.5638(3) 0.2377(3) 0.4426(2) 0.0242(9) Uani 1 1 d . . . . .
H14A H 0.554890 0.212099 0.405875 0.029 Uiso 1 1 calc R U . . .
C15 C 0.6635(3) 0.2044(3) 0.4667(2) 0.0303(11) Uani 1 1 d . . . . .
H15A H 0.721538 0.154080 0.448161 0.036 Uiso 1 1 calc R U . . .
C16 C 0.6771(3) 0.2450(4) 0.5176(2) 0.0319(11) Uani 1 1 d . . . . .
H16A H 0.744950 0.223629 0.533790 0.038 Uiso 1 1 calc R U . . .
C17 C 0.5924(3) 0.3168(4) 0.5455(2) 0.0345(11) Uani 1 1 d . . . . .
H17A H 0.602183 0.345471 0.580197 0.041 Uiso 1 1 calc R U . . .
C18 C 0.4930(3) 0.3468(4) 0.5224(2) 0.0279(10) Uani 1 1 d . . . . .
H18A H 0.434817 0.395101 0.542293 0.034 Uiso 1 1 calc R U . . .
C19 C 0.0488(3) 0.2026(3) 0.3120(2) 0.0228(9) Uani 1 1 d . . . . .
C20 C 0.0996(4) 0.0947(4) 0.3306(3) 0.0364(12) Uani 1 1 d . . . . .
H20A H 0.163392 0.060029 0.308327 0.044 Uiso 1 1 calc R U . . .
C21 C 0.0588(4) 0.0363(4) 0.3811(3) 0.0416(13) Uani 1 1 d . . . . .
H21A H 0.094527 -0.037805 0.392903 0.050 Uiso 1 1 calc R U . . .
C22 C -0.0329(4) 0.0849(4) 0.4143(2) 0.0376(12) Uani 1 1 d . . . . .
H22A H -0.061038 0.044863 0.448676 0.045 Uiso 1 1 calc R U . . .
C23 C -0.0831(4) 0.1914(4) 0.3973(3) 0.0434(13) Uani 1 1 d . . . . .
H23A H -0.145963 0.225716 0.420539 0.052 Uiso 1 1 calc R U . . .
C24 C -0.0430(3) 0.2497(4) 0.3464(3) 0.0355(11) Uani 1 1 d . . . . .
H24A H -0.079363 0.323695 0.334846 0.043 Uiso 1 1 calc R U . . .
C25 C 0.0687(3) 0.2916(3) 0.1331(2) 0.0277(10) Uani 1 1 d . . . . .
C26 C 0.0165(4) 0.2330(4) 0.1275(3) 0.0462(13) Uani 1 1 d . . . . .
H26A H -0.003181 0.194153 0.167839 0.055 Uiso 1 1 calc R U . . .
C27 C -0.0078(5) 0.2299(5) 0.0635(3) 0.0624(18) Uani 1 1 d . . . . .
H27A H -0.043049 0.188332 0.060373 0.075 Uiso 1 1 calc R U . . .
C28 C 0.0190(4) 0.2865(5) 0.0051(3) 0.0539(16) Uani 1 1 d . . . . .
H28A H 0.001966 0.284748 -0.038617 0.065 Uiso 1 1 calc R U . . .
C29 C 0.0703(5) 0.3455(5) 0.0098(3) 0.0532(15) Uani 1 1 d . . . . .
H29A H 0.089498 0.384521 -0.030773 0.064 Uiso 1 1 calc R U . . .
C30 C 0.0944(4) 0.3488(4) 0.0732(2) 0.0422(13) Uani 1 1 d . . . . .
H30A H 0.129212 0.391065 0.075824 0.051 Uiso 1 1 calc R U . . .
C31 C 0.0399(3) 0.4539(3) 0.2434(2) 0.0241(9) Uani 1 1 d . . . . .
C32 C -0.0208(3) 0.5353(4) 0.1922(2) 0.0322(11) Uani 1 1 d . . . . .
H32A H -0.033939 0.520046 0.151947 0.039 Uiso 1 1 calc R U . . .
C33 C -0.0625(3) 0.6378(4) 0.1984(2) 0.0342(11) Uani 1 1 d . . . . .
H33A H -0.103011 0.692458 0.162512 0.041 Uiso 1 1 calc R U . . .
C34 C -0.0453(3) 0.6601(4) 0.2565(3) 0.0401(13) Uani 1 1 d . . . . .
H34A H -0.074804 0.730619 0.261090 0.048 Uiso 1 1 calc R U . . .
C35 C 0.0144(4) 0.5814(4) 0.3087(3) 0.0480(15) Uani 1 1 d . . . . .
H35A H 0.026152 0.597411 0.349026 0.058 Uiso 1 1 calc R U . . .
C36 C 0.0572(4) 0.4786(4) 0.3015(3) 0.0373(12) Uani 1 1 d . . . . .
H36A H 0.099059 0.424352 0.337115 0.045 Uiso 1 1 calc R U . . .
C37 C 0.4371(4) -0.0042(4) 0.3055(3) 0.0413(13) Uani 1 1 d . . . . .
H37A H 0.471802 -0.027016 0.263160 0.050 Uiso 1 1 calc R U . . .
H37B H 0.360889 0.023710 0.300363 0.050 Uiso 1 1 calc R U . . .
C38 C 0.4732(5) -0.0946(4) 0.3679(3) 0.0563(16) Uani 1 1 d . . . . .
H38A H 0.426109 -0.130985 0.378197 0.068 Uiso 1 1 calc R U . . .
H38B H 0.544749 -0.145686 0.360713 0.068 Uiso 1 1 calc R U . . .
C39 C 0.4696(4) -0.0435(4) 0.4240(3) 0.0419(13) Uani 1 1 d . . . . .
H39A H 0.517789 -0.093417 0.461246 0.050 Uiso 1 1 calc R U . . .
H39B H 0.398345 -0.014616 0.443504 0.050 Uiso 1 1 calc R U . . .
C40 C 0.5032(4) 0.0416(4) 0.3888(2) 0.0384(12) Uani 1 1 d . . . . .
H40A H 0.472394 0.100736 0.412047 0.046 Uiso 1 1 calc R U . . .
H40B H 0.579937 0.015353 0.389160 0.046 Uiso 1 1 calc R U . . .
C41 C 0.6688(3) 0.1507(4) 0.2664(3) 0.0381(12) Uani 1 1 d . . . . .
H41A H 0.674671 0.099938 0.239613 0.046 Uiso 1 1 calc R U . . .
H41B H 0.679498 0.114713 0.315595 0.046 Uiso 1 1 calc R U . . .
C42 C 0.7470(4) 0.1978(4) 0.2409(3) 0.0514(15) Uani 1 1 d . . . . .
H42A H 0.815520 0.152743 0.262581 0.062 Uiso 1 1 calc R U . . .
H42B H 0.755850 0.209226 0.190368 0.062 Uiso 1 1 calc R U . . .
C43 C 0.6980(4) 0.2996(4) 0.2630(3) 0.0397(12) Uani 1 1 d . . . . .
H43A H 0.724074 0.350849 0.234739 0.048 Uiso 1 1 calc R U . . .
H43B H 0.711631 0.289575 0.312012 0.048 Uiso 1 1 calc R U . . .
C44 C 0.5835(4) 0.3348(3) 0.2514(2) 0.0331(11) Uani 1 1 d . . . . .
H44A H 0.540890 0.372417 0.286717 0.040 Uiso 1 1 calc R U . . .
H44B H 0.563362 0.382071 0.205506 0.040 Uiso 1 1 calc R U . . .
C45 C 0.3983(5) 0.1468(5) 0.1216(3) 0.0649(18) Uani 1 1 d . . . . .
H45A H 0.379714 0.094816 0.156235 0.078 Uiso 1 1 calc R U . . .
H45B H 0.333834 0.202909 0.099338 0.078 Uiso 1 1 calc R U . . .
C46 C 0.4710(5) 0.0971(6) 0.0706(3) 0.072(2) Uani 1 1 d . . . . .
H46A H 0.433782 0.096266 0.032425 0.087 Uiso 1 1 calc R U . . .
H46B H 0.518735 0.024563 0.091522 0.087 Uiso 1 1 calc R U . . .
C47 C 0.5288(6) 0.1663(6) 0.0463(3) 0.076(2) Uani 1 1 d . . . . .
H47A H 0.598201 0.127730 0.027135 0.092 Uiso 1 1 calc R U . . .
H47B H 0.489157 0.228823 0.010895 0.092 Uiso 1 1 calc R U . . .
C48 C 0.5384(4) 0.1962(5) 0.1104(3) 0.0580(17) Uani 1 1 d . . . . .
H48A H 0.605109 0.147263 0.133138 0.070 Uiso 1 1 calc R U . . .
H48B H 0.535301 0.268005 0.099385 0.070 Uiso 1 1 calc R U . . .
C49 C 0.3024(4) 0.4498(4) 0.1201(3) 0.0539(15) Uani 1 1 d D U . . .
H49A H 0.254166 0.416326 0.121119 0.065 Uiso 0.744(19) 1 calc R U P A 1
H49B H 0.354430 0.432682 0.082655 0.065 Uiso 0.744(19) 1 calc R U P A 1
H49C H 0.279391 0.395462 0.117020 0.065 Uiso 0.256(19) 1 calc R U P A 2
H49D H 0.355265 0.450832 0.083372 0.065 Uiso 0.256(19) 1 calc R U P A 2
C50 C 0.2445(9) 0.5670(6) 0.1128(5) 0.079(4) Uani 0.744(19) 1 d D U P A 1
H50A H 0.284476 0.602689 0.081680 0.095 Uiso 0.744(19) 1 calc R U P A 1
H50B H 0.176129 0.591195 0.091696 0.095 Uiso 0.744(19) 1 calc R U P A 1
C51 C 0.2280(7) 0.5968(8) 0.1808(5) 0.084(3) Uani 0.744(19) 1 d D U P A 1
H51A H 0.226160 0.667046 0.176685 0.100 Uiso 0.744(19) 1 calc R U P A 1
H51B H 0.164826 0.592237 0.205418 0.100 Uiso 0.744(19) 1 calc R U P A 1
C50* C 0.2110(14) 0.5538(11) 0.1062(15) 0.057(6) Uani 0.256(19) 1 d D U P A 2
H50C H 0.144218 0.551833 0.125631 0.069 Uiso 0.256(19) 1 calc R U P A 2
H50D H 0.204072 0.591984 0.057430 0.069 Uiso 0.256(19) 1 calc R U P A 2
C51* C 0.264(2) 0.5869(19) 0.1500(12) 0.069(6) Uani 0.256(19) 1 d D U P A 2
C51C H 0.209944 0.647845 0.165883 0.083 Uiso 0.256(19) 1 calc R U P A 2
C51D H 0.312159 0.612587 0.119438 0.083 Uiso 0.256(19) 1 calc R U P A 2
C52 C 0.3253(5) 0.5113(4) 0.2125(3) 0.0555(15) Uani 1 1 d D U . . .
H52A H 0.382656 0.534626 0.202189 0.067 Uiso 0.744(19) 1 calc R U P A 1
H52B H 0.315784 0.494113 0.262995 0.067 Uiso 0.744(19) 1 calc R U P A 1
H52C H 0.387061 0.522298 0.219740 0.067 Uiso 0.256(19) 1 calc R U P A 2
H52D H 0.281897 0.511685 0.254905 0.067 Uiso 0.256(19) 1 calc R U P A 2
B1 B 0.5862(4) 0.6995(4) 0.1930(2) 0.0258(11) Uani 1 1 d . . . . .
C53 C 0.6282(3) 0.6193(3) 0.2679(2) 0.0218(9) Uani 1 1 d . . . . .
C54 C 0.5765(3) 0.5567(3) 0.3038(2) 0.0256(9) Uani 1 1 d . . . . .
H54A H 0.513783 0.565449 0.285669 0.031 Uiso 1 1 calc R U . . .
C55 C 0.6134(4) 0.4832(3) 0.3642(2) 0.0295(10) Uani 1 1 d . . . . .
H55A H 0.575143 0.443842 0.387012 0.035 Uiso 1 1 calc R U . . .
C56 C 0.7055(4) 0.4663(3) 0.3918(2) 0.0297(10) Uani 1 1 d . . . . .
H56A H 0.730935 0.415690 0.433337 0.036 Uiso 1 1 calc R U . . .
C57 C 0.7593(3) 0.5244(3) 0.3578(2) 0.0299(10) Uani 1 1 d . . . . .
H57A H 0.822903 0.513571 0.375773 0.036 Uiso 1 1 calc R U . . .
C58 C 0.7210(3) 0.5993(3) 0.2971(2) 0.0266(10) Uani 1 1 d . . . . .
H58A H 0.759845 0.638277 0.274723 0.032 Uiso 1 1 calc R U . . .
C59 C 0.6028(4) 0.6217(3) 0.1422(2) 0.0293(10) Uani 1 1 d . . . . .
C60 C 0.5238(4) 0.6128(4) 0.1133(2) 0.0380(12) Uani 1 1 d . . . . .
H60A H 0.453890 0.658973 0.120378 0.046 Uiso 1 1 calc R U . . .
C61 C 0.5420(5) 0.5397(4) 0.0746(3) 0.0493(15) Uani 1 1 d . . . . .
H61A H 0.485166 0.537295 0.055772 0.059 Uiso 1 1 calc R U . . .
C62 C 0.6410(6) 0.4714(4) 0.0636(3) 0.0550(17) Uani 1 1 d . . . . .
H62A H 0.653482 0.420660 0.037892 0.066 Uiso 1 1 calc R U . . .
C63 C 0.7229(5) 0.4771(4) 0.0905(3) 0.0593(18) Uani 1 1 d . . . . .
H63A H 0.792443 0.430608 0.082811 0.071 Uiso 1 1 calc R U . . .
C64 C 0.7034(4) 0.5510(4) 0.1289(2) 0.0442(13) Uani 1 1 d . . . . .
H64A H 0.760822 0.553675 0.146923 0.053 Uiso 1 1 calc R U . . .
C65 C 0.6518(3) 0.7721(3) 0.1647(2) 0.0286(10) Uani 1 1 d . . . . .
C66 C 0.6897(3) 0.7901(4) 0.0973(2) 0.0365(12) Uani 1 1 d . . . . .
H66A H 0.682135 0.754021 0.066380 0.044 Uiso 1 1 calc R U . . .
C67 C 0.7378(4) 0.8581(4) 0.0737(3) 0.0505(16) Uani 1 1 d . . . . .
H67A H 0.761868 0.867931 0.027428 0.061 Uiso 1 1 calc R U . . .
C68 C 0.7508(4) 0.9113(4) 0.1166(4) 0.0582(18) Uani 1 1 d . . . . .
H68A H 0.784535 0.957279 0.100711 0.070 Uiso 1 1 calc R U . . .
C69 C 0.7140(4) 0.8969(4) 0.1829(4) 0.0515(16) Uani 1 1 d . . . . .
H69A H 0.722128 0.933620 0.213119 0.062 Uiso 1 1 calc R U . . .
C70 C 0.6650(3) 0.8292(3) 0.2065(3) 0.0373(12) Uani 1 1 d . . . . .
H70A H 0.639644 0.821555 0.252569 0.045 Uiso 1 1 calc R U . . .
C71 C 0.4647(3) 0.7839(3) 0.1959(2) 0.0251(9) Uani 1 1 d . . . . .
C72 C 0.4186(4) 0.8574(4) 0.1366(3) 0.0427(13) Uani 1 1 d . . . . .
H72A H 0.457108 0.854210 0.094616 0.051 Uiso 1 1 calc R U . . .
C73 C 0.3180(4) 0.9359(4) 0.1365(3) 0.0536(16) Uani 1 1 d . . . . .
H73A H 0.289475 0.984322 0.094743 0.064 Uiso 1 1 calc R U . . .
C74 C 0.2602(4) 0.9433(4) 0.1961(3) 0.0449(13) Uani 1 1 d . . . . .
H74A H 0.191936 0.996808 0.196266 0.054 Uiso 1 1 calc R U . . .
C75 C 0.3030(4) 0.8719(4) 0.2553(3) 0.0370(12) Uani 1 1 d . . . . .
H75A H 0.263784 0.875611 0.297068 0.044 Uiso 1 1 calc R U . . .
C76 C 0.4034(3) 0.7940(3) 0.2551(2) 0.0281(10) Uani 1 1 d . . . . .
H76A H 0.431002 0.745832 0.297081 0.034 Uiso 1 1 calc R U . . .
C1S C 0.7692(8) 0.1834(8) 1.0231(5) 0.163(4) Uani 1 1 d D U . . .
H1SA H 0.760044 0.148386 1.070420 0.245 Uiso 0.559(10) 1 calc R U P B 1
H1SB H 0.794027 0.236794 1.023707 0.245 Uiso 0.559(10) 1 calc R U P B 1
H1SC H 0.702565 0.216685 0.999473 0.245 Uiso 0.559(10) 1 calc R U P B 1
H1SD H 0.693690 0.209432 1.019379 0.245 Uiso 0.441(10) 1 calc R U P B 2
H1SE H 0.790847 0.138481 1.068922 0.245 Uiso 0.441(10) 1 calc R U P B 2
H1SF H 0.788361 0.242736 1.016045 0.245 Uiso 0.441(10) 1 calc R U P B 2
C2S C 0.8490(11) 0.1028(9) 0.9853(5) 0.087(4) Uani 0.559(10) 1 d D U P B 1
H2SA H 0.916066 0.068390 1.009651 0.104 Uiso 0.559(10) 1 calc R U P B 1
H2SB H 0.824487 0.048256 0.985386 0.104 Uiso 0.559(10) 1 calc R U P B 1
C3S C 0.8653(8) 0.1548(7) 0.9113(4) 0.065(3) Uani 0.559(10) 1 d D U P B 1
H3SA H 0.797991 0.187070 0.887467 0.078 Uiso 0.559(10) 1 calc R U P B 1
H3SB H 0.885554 0.211908 0.912165 0.078 Uiso 0.559(10) 1 calc R U P B 1
C4S C 0.9460(8) 0.0834(8) 0.8698(4) 0.054(3) Uani 0.559(10) 1 d D U P B 1
H4SA H 0.931381 0.021344 0.873154 0.064 Uiso 0.559(10) 1 calc R U P B 1
H4SB H 1.015577 0.058697 0.889223 0.064 Uiso 0.559(10) 1 calc R U P B 1
C5S C 0.9467(8) 0.1389(8) 0.7940(4) 0.060(3) Uani 0.559(10) 1 d D U P B 1
H5SA H 0.876317 0.165570 0.775198 0.072 Uiso 0.559(10) 1 calc R U P B 1
H5SB H 0.963104 0.199790 0.790780 0.072 Uiso 0.559(10) 1 calc R U P B 1
C6S C 1.0249(9) 0.0680(11) 0.7506(6) 0.070(4) Uani 0.559(10) 1 d D U P B 1
H6SA H 1.015550 0.104059 0.701999 0.104 Uiso 0.559(10) 1 calc R U P B 1
H6SB H 1.014128 0.003679 0.757670 0.104 Uiso 0.559(10) 1 calc R U P B 1
H6SC H 1.095584 0.050300 0.764169 0.104 Uiso 0.559(10) 1 calc R U P B 1
C2* C 0.8236(13) 0.120(3) 0.9686(18) 0.279(12) Uani 0.441(10) 1 d D U P B 2
H2SC H 0.802059 0.061919 0.975490 0.334 Uiso 0.441(10) 1 calc R U P B 2
H2SD H 0.799576 0.166011 0.922695 0.334 Uiso 0.441(10) 1 calc R U P B 2
C3* C 0.9422(13) 0.076(2) 0.9693(12) 0.284(12) Uani 0.441(10) 1 d D U P B 2
H3SC H 0.963775 0.132914 0.966811 0.341 Uiso 0.441(10) 1 calc R U P B 2
H3SD H 0.966821 0.024426 1.013502 0.341 Uiso 0.441(10) 1 calc R U P B 2
C4* C 0.995(2) 0.0217(16) 0.9106(12) 0.255(12) Uani 0.441(10) 1 d D U P B 2
H4SC H 1.067456 -0.026680 0.923267 0.306 Uiso 0.441(10) 1 calc R U P B 2
H4SD H 0.958525 -0.020759 0.904664 0.306 Uiso 0.441(10) 1 calc R U P B 2
C5* C 0.995(2) 0.0969(17) 0.8423(13) 0.194(11) Uani 0.441(10) 1 d D U P B 2
H5SC H 1.018416 0.148879 0.850019 0.233 Uiso 0.441(10) 1 calc R U P B 2
H5SD H 0.923673 0.135190 0.824626 0.233 Uiso 0.441(10) 1 calc R U P B 2
C6* C 1.067(2) 0.0416(19) 0.7885(12) 0.163(10) Uani 0.441(10) 1 d D U P B 2
H6SD H 1.026734 0.059393 0.747146 0.244 Uiso 0.441(10) 1 calc R U P B 2
H6SE H 1.095092 -0.034265 0.806876 0.244 Uiso 0.441(10) 1 calc R U P B 2
H6SF H 1.123665 0.064198 0.776805 0.244 Uiso 0.441(10) 1 calc R U P B 2


_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
Dy1 O2 2.068(3) . ?
Dy1 O1 2.068(3) . ?
Dy1 O3 2.358(3) . ?
Dy1 O6 2.366(3) . ?
Dy1 O5 2.430(3) . ?
Dy1 O4 2.473(3) . ?
Sn1 O1 1.938(3) . ?
Sn1 C13 2.134(4) . ?
Sn1 C1 2.141(4) . ?
Sn1 C7 2.145(4) . ?
Sn2 O2 1.933(3) . ?
Sn2 C19 2.131(4) . ?
Sn2 C31 2.136(4) . ?
Sn2 C25 2.149(4) . ?
O3 C40 1.461(5) . ?
O3 C37 1.465(5) . ?
O4 C41 1.453(5) . ?
O4 C44 1.463(5) . ?
O5 C48 1.437(6) . ?
O5 C45 1.473(7) . ?
O6 C49 1.449(6) . ?
O6 C52 1.452(6) . ?
C1 C6 1.392(6) . ?
C1 C2 1.394(6) . ?
C2 C3 1.388(6) . ?
C2 H2A 0.9500 . ?
C3 C4 1.375(7) . ?
C3 H3A 0.9500 . ?
C4 C5 1.383(7) . ?
C4 H4A 0.9500 . ?
C5 C6 1.378(6) . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9500 . ?
C7 C12 1.389(6) . ?
C7 C8 1.397(6) . ?
C8 C9 1.376(6) . ?
C8 H8A 0.9500 . ?
C9 C10 1.383(7) . ?
C9 H9A 0.9500 . ?
C10 C11 1.373(7) . ?
C10 H10A 0.9500 . ?
C11 C12 1.391(6) . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 C14 1.378(5) . ?
C13 C18 1.390(6) . ?
C14 C15 1.394(6) . ?
C14 H14A 0.9500 . ?
C15 C16 1.373(6) . ?
C15 H15A 0.9500 . ?
C16 C17 1.382(6) . ?
C16 H16A 0.9500 . ?
C17 C18 1.390(6) . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
C19 C24 1.382(6) . ?
C19 C20 1.383(6) . ?
C20 C21 1.386(6) . ?
C20 H20A 0.9500 . ?
C21 C22 1.373(7) . ?
C21 H21A 0.9500 . ?
C22 C23 1.364(7) . ?
C22 H22A 0.9500 . ?
C23 C24 1.383(6) . ?
C23 H23A 0.9500 . ?
C24 H24A 0.9500 . ?
C25 C26 1.373(6) . ?
C25 C30 1.385(6) . ?
C26 C27 1.390(7) . ?
C26 H26A 0.9500 . ?
C27 C28 1.365(8) . ?
C27 H27A 0.9500 . ?
C28 C29 1.365(8) . ?
C28 H28A 0.9500 . ?
C29 C30 1.378(7) . ?
C29 H29A 0.9500 . ?
C30 H30A 0.9500 . ?
C31 C36 1.384(6) . ?
C31 C32 1.390(6) . ?
C32 C33 1.378(6) . ?
C32 H32A 0.9500 . ?
C33 C34 1.365(7) . ?
C33 H33A 0.9500 . ?
C34 C35 1.381(7) . ?
C34 H34A 0.9500 . ?
C35 C36 1.388(7) . ?
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
C37 C38 1.518(7) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.486(7) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.493(6) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.514(7) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.498(7) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.512(6) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.457(8) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.508(10) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.499(8) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C50* 1.498(7) . ?
C49 C50 1.516(6) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 H49C 0.9900 . ?
C49 H49D 0.9900 . ?
C50 C51 1.502(7) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.484(6) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C50* C51* 1.505(7) . ?
C50* H50C 0.9900 . ?
C50* H50D 0.9900 . ?
C51* C52 1.513(7) . ?
C51* C51C 0.9900 . ?
C51* C51D 0.9900 . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C52 H52C 0.9900 . ?
C52 H52D 0.9900 . ?
B1 C59 1.637(6) . ?
B1 C65 1.642(7) . ?
B1 C71 1.641(6) . ?
B1 C53 1.649(6) . ?
C53 C58 1.394(6) . ?
C53 C54 1.409(6) . ?
C54 C55 1.381(6) . ?
C54 H54A 0.9500 . ?
C55 C56 1.384(6) . ?
C55 H55A 0.9500 . ?
C56 C57 1.373(6) . ?
C56 H56A 0.9500 . ?
C57 C58 1.397(6) . ?
C57 H57A 0.9500 . ?
C58 H58A 0.9500 . ?
C59 C60 1.391(7) . ?
C59 C64 1.401(6) . ?
C60 C61 1.392(7) . ?
C60 H60A 0.9500 . ?
C61 C62 1.362(8) . ?
C61 H61A 0.9500 . ?
C62 C63 1.384(8) . ?
C62 H62A 0.9500 . ?
C63 C64 1.394(7) . ?
C63 H63A 0.9500 . ?
C64 H64A 0.9500 . ?
C65 C70 1.398(6) . ?
C65 C66 1.399(6) . ?
C66 C67 1.386(7) . ?
C66 H66A 0.9500 . ?
C67 C68 1.368(8) . ?
C67 H67A 0.9500 . ?
C68 C69 1.370(8) . ?
C68 H68A 0.9500 . ?
C69 C70 1.392(7) . ?
C69 H69A 0.9500 . ?
C70 H70A 0.9500 . ?
C71 C76 1.389(6) . ?
C71 C72 1.390(6) . ?
C72 C73 1.397(7) . ?
C72 H72A 0.9500 . ?
C73 C74 1.369(7) . ?
C73 H73A 0.9500 . ?
C74 C75 1.369(7) . ?
C74 H74A 0.9500 . ?
C75 C76 1.393(6) . ?
C75 H75A 0.9500 . ?
C76 H76A 0.9500 . ?
C1S C2* 1.531(8) . ?
C1S C2S 1.532(7) . ?
C1S H1SA 0.9800 . ?
C1S H1SB 0.9800 . ?
C1S H1SC 0.9800 . ?
C1S H1SD 0.9800 . ?
C1S H1SE 0.9800 . ?
C1S H1SF 0.9800 . ?
C2S C3S 1.527(7) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
C3S C4S 1.511(7) . ?
C3S H3SA 0.9900 . ?
C3S H3SB 0.9900 . ?
C4S C5S 1.534(7) . ?
C4S H4SA 0.9900 . ?
C4S H4SB 0.9900 . ?
C5S C6S 1.518(7) . ?
C5S H5SA 0.9900 . ?
C5S H5SB 0.9900 . ?
C6S H6SA 0.9800 . ?
C6S H6SB 0.9800 . ?
C6S H6SC 0.9800 . ?
C2* C3* 1.528(8) . ?
C2* H2SC 0.9900 . ?
C2* H2SD 0.9900 . ?
C3* C4* 1.524(8) . ?
C3* H3SC 0.9900 . ?
C3* H3SD 0.9900 . ?
C4* C5* 1.522(8) . ?
C4* H4SC 0.9900 . ?
C4* H4SD 0.9900 . ?
C5* C6* 1.525(8) . ?
C5* H5SC 0.9900 . ?
C5* H5SD 0.9900 . ?
C6* H6SD 0.9800 . ?
C6* H6SE 0.9800 . ?
C6* H6SF 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
O2 Dy1 O1 105.19(11) . . ?
O2 Dy1 O3 93.07(11) . . ?
O1 Dy1 O3 96.35(11) . . ?
O2 Dy1 O6 96.51(11) . . ?
O1 Dy1 O6 91.38(11) . . ?
O3 Dy1 O6 165.70(11) . . ?
O2 Dy1 O5 83.96(12) . . ?
O1 Dy1 O5 170.08(12) . . ?
O3 Dy1 O5 86.82(12) . . ?
O6 Dy1 O5 83.66(12) . . ?
O2 Dy1 O4 164.19(10) . . ?
O1 Dy1 O4 90.53(10) . . ?
O3 Dy1 O4 83.31(10) . . ?
O6 Dy1 O4 84.60(10) . . ?
O5 Dy1 O4 80.48(11) . . ?
O1 Sn1 C13 103.46(14) . . ?
O1 Sn1 C1 112.18(13) . . ?
C13 Sn1 C1 113.33(15) . . ?
O1 Sn1 C7 106.41(14) . . ?
C13 Sn1 C7 111.51(15) . . ?
C1 Sn1 C7 109.64(15) . . ?
O2 Sn2 C19 108.59(14) . . ?
O2 Sn2 C31 108.22(14) . . ?
C19 Sn2 C31 110.42(16) . . ?
O2 Sn2 C25 109.24(14) . . ?
C19 Sn2 C25 110.73(17) . . ?
C31 Sn2 C25 109.59(16) . . ?
Sn1 O1 Dy1 169.20(16) . . ?
Sn2 O2 Dy1 152.20(16) . . ?
C40 O3 C37 108.2(3) . . ?
C40 O3 Dy1 123.4(3) . . ?
C37 O3 Dy1 121.9(3) . . ?
C41 O4 C44 108.6(3) . . ?
C41 O4 Dy1 132.3(2) . . ?
C44 O4 Dy1 118.7(2) . . ?
C48 O5 C45 108.1(4) . . ?
C48 O5 Dy1 129.2(3) . . ?
C45 O5 Dy1 122.5(3) . . ?
C49 O6 C52 109.3(4) . . ?
C49 O6 Dy1 121.8(3) . . ?
C52 O6 Dy1 121.9(3) . . ?
C6 C1 C2 118.8(4) . . ?
C6 C1 Sn1 121.1(3) . . ?
C2 C1 Sn1 120.1(3) . . ?
C3 C2 C1 120.4(4) . . ?
C3 C2 H2A 119.8 . . ?
C1 C2 H2A 119.8 . . ?
C4 C3 C2 119.9(4) . . ?
C4 C3 H3A 120.1 . . ?
C2 C3 H3A 120.1 . . ?
C3 C4 C5 120.2(4) . . ?
C3 C4 H4A 119.9 . . ?
C5 C4 H4A 119.9 . . ?
C6 C5 C4 120.2(5) . . ?
C6 C5 H5A 119.9 . . ?
C4 C5 H5A 119.9 . . ?
C5 C6 C1 120.4(4) . . ?
C5 C6 H6A 119.8 . . ?
C1 C6 H6A 119.8 . . ?
C12 C7 C8 118.1(4) . . ?
C12 C7 Sn1 119.8(3) . . ?
C8 C7 Sn1 122.0(3) . . ?
C9 C8 C7 120.8(4) . . ?
C9 C8 H8A 119.6 . . ?
C7 C8 H8A 119.6 . . ?
C8 C9 C10 120.8(4) . . ?
C8 C9 H9A 119.6 . . ?
C10 C9 H9A 119.6 . . ?
C11 C10 C9 119.0(4) . . ?
C11 C10 H10A 120.5 . . ?
C9 C10 H10A 120.5 . . ?
C10 C11 C12 120.9(5) . . ?
C10 C11 H11A 119.6 . . ?
C12 C11 H11A 119.6 . . ?
C7 C12 C11 120.4(4) . . ?
C7 C12 H12A 119.8 . . ?
C11 C12 H12A 119.8 . . ?
C14 C13 C18 118.3(4) . . ?
C14 C13 Sn1 119.2(3) . . ?
C18 C13 Sn1 122.5(3) . . ?
C13 C14 C15 121.5(4) . . ?
C13 C14 H14A 119.2 . . ?
C15 C14 H14A 119.2 . . ?
C16 C15 C14 119.3(4) . . ?
C16 C15 H15A 120.4 . . ?
C14 C15 H15A 120.4 . . ?
C15 C16 C17 120.3(4) . . ?
C15 C16 H16A 119.8 . . ?
C17 C16 H16A 119.8 . . ?
C16 C17 C18 119.8(4) . . ?
C16 C17 H17A 120.1 . . ?
C18 C17 H17A 120.1 . . ?
C13 C18 C17 120.7(4) . . ?
C13 C18 H18A 119.6 . . ?
C17 C18 H18A 119.6 . . ?
C24 C19 C20 117.5(4) . . ?
C24 C19 Sn2 119.9(3) . . ?
C20 C19 Sn2 122.6(3) . . ?
C19 C20 C21 121.0(4) . . ?
C19 C20 H20A 119.5 . . ?
C21 C20 H20A 119.5 . . ?
C22 C21 C20 120.4(4) . . ?
C22 C21 H21A 119.8 . . ?
C20 C21 H21A 119.8 . . ?
C23 C22 C21 119.3(5) . . ?
C23 C22 H22A 120.3 . . ?
C21 C22 H22A 120.3 . . ?
C22 C23 C24 120.3(5) . . ?
C22 C23 H23A 119.8 . . ?
C24 C23 H23A 119.8 . . ?
C19 C24 C23 121.5(4) . . ?
C19 C24 H24A 119.3 . . ?
C23 C24 H24A 119.3 . . ?
C26 C25 C30 117.9(4) . . ?
C26 C25 Sn2 120.5(4) . . ?
C30 C25 Sn2 121.6(3) . . ?
C25 C26 C27 121.0(5) . . ?
C25 C26 H26A 119.5 . . ?
C27 C26 H26A 119.5 . . ?
C28 C27 C26 120.1(6) . . ?
C28 C27 H27A 120.0 . . ?
C26 C27 H27A 120.0 . . ?
C27 C28 C29 119.8(5) . . ?
C27 C28 H28A 120.1 . . ?
C29 C28 H28A 120.1 . . ?
C28 C29 C30 120.3(5) . . ?
C28 C29 H29A 119.9 . . ?
C30 C29 H29A 119.9 . . ?
C29 C30 C25 121.0(5) . . ?
C29 C30 H30A 119.5 . . ?
C25 C30 H30A 119.5 . . ?
C36 C31 C32 117.9(4) . . ?
C36 C31 Sn2 121.1(3) . . ?
C32 C31 Sn2 121.0(3) . . ?
C33 C32 C31 121.4(4) . . ?
C33 C32 H32A 119.3 . . ?
C31 C32 H32A 119.3 . . ?
C34 C33 C32 119.6(4) . . ?
C34 C33 H33A 120.2 . . ?
C32 C33 H33A 120.2 . . ?
C33 C34 C35 120.7(5) . . ?
C33 C34 H34A 119.6 . . ?
C35 C34 H34A 119.6 . . ?
C34 C35 C36 119.2(5) . . ?
C34 C35 H35A 120.4 . . ?
C36 C35 H35A 120.4 . . ?
C31 C36 C35 121.1(4) . . ?
C31 C36 H36A 119.5 . . ?
C35 C36 H36A 119.5 . . ?
O3 C37 C38 105.3(4) . . ?
O3 C37 H37A 110.7 . . ?
C38 C37 H37A 110.7 . . ?
O3 C37 H37B 110.7 . . ?
C38 C37 H37B 110.7 . . ?
H37A C37 H37B 108.8 . . ?
C39 C38 C37 103.8(4) . . ?
C39 C38 H38A 111.0 . . ?
C37 C38 H38A 111.0 . . ?
C39 C38 H38B 111.0 . . ?
C37 C38 H38B 111.0 . . ?
H38A C38 H38B 109.0 . . ?
C38 C39 C40 103.1(4) . . ?
C38 C39 H39A 111.1 . . ?
C40 C39 H39A 111.1 . . ?
C38 C39 H39B 111.1 . . ?
C40 C39 H39B 111.1 . . ?
H39A C39 H39B 109.1 . . ?
O3 C40 C39 106.2(4) . . ?
O3 C40 H40A 110.5 . . ?
C39 C40 H40A 110.5 . . ?
O3 C40 H40B 110.5 . . ?
C39 C40 H40B 110.5 . . ?
H40A C40 H40B 108.7 . . ?
O4 C41 C42 104.5(4) . . ?
O4 C41 H41A 110.9 . . ?
C42 C41 H41A 110.9 . . ?
O4 C41 H41B 110.9 . . ?
C42 C41 H41B 110.9 . . ?
H41A C41 H41B 108.9 . . ?
C43 C42 C41 102.4(4) . . ?
C43 C42 H42A 111.3 . . ?
C41 C42 H42A 111.3 . . ?
C43 C42 H42B 111.3 . . ?
C41 C42 H42B 111.3 . . ?
H42A C42 H42B 109.2 . . ?
C42 C43 C44 103.0(4) . . ?
C42 C43 H43A 111.2 . . ?
C44 C43 H43A 111.2 . . ?
C42 C43 H43B 111.2 . . ?
C44 C43 H43B 111.2 . . ?
H43A C43 H43B 109.1 . . ?
O4 C44 C43 106.1(3) . . ?
O4 C44 H44A 110.5 . . ?
C43 C44 H44A 110.5 . . ?
O4 C44 H44B 110.5 . . ?
C43 C44 H44B 110.5 . . ?
H44A C44 H44B 108.7 . . ?
C46 C45 O5 106.0(5) . . ?
C46 C45 H45A 110.5 . . ?
O5 C45 H45A 110.5 . . ?
C46 C45 H45B 110.5 . . ?
O5 C45 H45B 110.5 . . ?
H45A C45 H45B 108.7 . . ?
C45 C46 C47 102.7(6) . . ?
C45 C46 H46A 111.2 . . ?
C47 C46 H46A 111.2 . . ?
C45 C46 H46B 111.2 . . ?
C47 C46 H46B 111.2 . . ?
H46A C46 H46B 109.1 . . ?
C48 C47 C46 103.3(5) . . ?
C48 C47 H47A 111.1 . . ?
C46 C47 H47A 111.1 . . ?
C48 C47 H47B 111.1 . . ?
C46 C47 H47B 111.1 . . ?
H47A C47 H47B 109.1 . . ?
O5 C48 C47 106.1(5) . . ?
O5 C48 H48A 110.5 . . ?
C47 C48 H48A 110.5 . . ?
O5 C48 H48B 110.5 . . ?
C47 C48 H48B 110.5 . . ?
H48A C48 H48B 108.7 . . ?
O6 C49 C50* 115.9(11) . . ?
O6 C49 C50 101.1(5) . . ?
O6 C49 H49A 111.6 . . ?
C50 C49 H49A 111.6 . . ?
O6 C49 H49B 111.6 . . ?
C50 C49 H49B 111.6 . . ?
H49A C49 H49B 109.4 . . ?
O6 C49 H49C 108.3 . . ?
C50* C49 H49C 108.3 . . ?
O6 C49 H49D 108.3 . . ?
C50* C49 H49D 108.3 . . ?
H49C C49 H49D 107.4 . . ?
C51 C50 C49 111.8(7) . . ?
C51 C50 H50A 109.3 . . ?
C49 C50 H50A 109.3 . . ?
C51 C50 H50B 109.3 . . ?
C49 C50 H50B 109.3 . . ?
H50A C50 H50B 107.9 . . ?
C52 C51 C50 96.2(7) . . ?
C52 C51 H51A 112.5 . . ?
C50 C51 H51A 112.5 . . ?
C52 C51 H51B 112.5 . . ?
C50 C51 H51B 112.5 . . ?
H51A C51 H51B 110.0 . . ?
C49 C50* C51* 86.3(17) . . ?
C49 C50* H50C 114.3 . . ?
C51* C50* H50C 114.3 . . ?
C49 C50* H50D 114.3 . . ?
C51* C50* H50D 114.3 . . ?
H50C C50* H50D 111.4 . . ?
C50* C51* C52 121.2(18) . . ?
C50* C51* C51C 107.0 . . ?
C52 C51* C51C 107.0 . . ?
C50* C51* C51D 107.0 . . ?
C52 C51* C51D 107.0 . . ?
C51C C51* C51D 106.8 . . ?
O6 C52 C51 110.1(6) . . ?
O6 C52 C51* 94.4(13) . . ?
O6 C52 H52A 109.6 . . ?
C51 C52 H52A 109.6 . . ?
O6 C52 H52B 109.6 . . ?
C51 C52 H52B 109.6 . . ?
H52A C52 H52B 108.1 . . ?
O6 C52 H52C 112.8 . . ?
C51* C52 H52C 112.8 . . ?
O6 C52 H52D 112.8 . . ?
C51* C52 H52D 112.8 . . ?
H52C C52 H52D 110.3 . . ?
C59 B1 C65 111.1(4) . . ?
C59 B1 C71 112.1(4) . . ?
C65 B1 C71 104.6(3) . . ?
C59 B1 C53 104.1(3) . . ?
C65 B1 C53 112.1(4) . . ?
C71 B1 C53 113.0(3) . . ?
C58 C53 C54 114.9(4) . . ?
C58 C53 B1 123.9(4) . . ?
C54 C53 B1 120.9(4) . . ?
C55 C54 C53 122.6(4) . . ?
C55 C54 H54A 118.7 . . ?
C53 C54 H54A 118.7 . . ?
C54 C55 C56 120.8(4) . . ?
C54 C55 H55A 119.6 . . ?
C56 C55 H55A 119.6 . . ?
C57 C56 C55 118.5(4) . . ?
C57 C56 H56A 120.8 . . ?
C55 C56 H56A 120.8 . . ?
C56 C57 C58 120.5(4) . . ?
C56 C57 H57A 119.8 . . ?
C58 C57 H57A 119.8 . . ?
C53 C58 C57 122.8(4) . . ?
C53 C58 H58A 118.6 . . ?
C57 C58 H58A 118.6 . . ?
C60 C59 C64 114.6(4) . . ?
C60 C59 B1 125.6(4) . . ?
C64 C59 B1 119.6(4) . . ?
C61 C60 C59 123.3(5) . . ?
C61 C60 H60A 118.4 . . ?
C59 C60 H60A 118.4 . . ?
C62 C61 C60 120.3(6) . . ?
C62 C61 H61A 119.8 . . ?
C60 C61 H61A 119.8 . . ?
C61 C62 C63 119.1(5) . . ?
C61 C62 H62A 120.5 . . ?
C63 C62 H62A 120.5 . . ?
C62 C63 C64 119.9(5) . . ?
C62 C63 H63A 120.0 . . ?
C64 C63 H63A 120.0 . . ?
C63 C64 C59 122.8(6) . . ?
C63 C64 H64A 118.6 . . ?
C59 C64 H64A 118.6 . . ?
C70 C65 C66 114.8(4) . . ?
C70 C65 B1 120.5(4) . . ?
C66 C65 B1 124.4(4) . . ?
C67 C66 C65 122.9(5) . . ?
C67 C66 H66A 118.5 . . ?
C65 C66 H66A 118.5 . . ?
C68 C67 C66 120.6(6) . . ?
C68 C67 H67A 119.7 . . ?
C66 C67 H67A 119.7 . . ?
C67 C68 C69 118.6(5) . . ?
C67 C68 H68A 120.7 . . ?
C69 C68 H68A 120.7 . . ?
C68 C69 C70 120.9(6) . . ?
C68 C69 H69A 119.5 . . ?
C70 C69 H69A 119.5 . . ?
C69 C70 C65 122.2(5) . . ?
C69 C70 H70A 118.9 . . ?
C65 C70 H70A 118.9 . . ?
C76 C71 C72 115.1(4) . . ?
C76 C71 B1 125.0(4) . . ?
C72 C71 B1 119.7(4) . . ?
C71 C72 C73 122.6(5) . . ?
C71 C72 H72A 118.7 . . ?
C73 C72 H72A 118.7 . . ?
C74 C73 C72 120.4(5) . . ?
C74 C73 H73A 119.8 . . ?
C72 C73 H73A 119.8 . . ?
C75 C74 C73 118.5(5) . . ?
C75 C74 H74A 120.7 . . ?
C73 C74 H74A 120.7 . . ?
C74 C75 C76 120.7(5) . . ?
C74 C75 H75A 119.7 . . ?
C76 C75 H75A 119.7 . . ?
C71 C76 C75 122.6(4) . . ?
C71 C76 H76A 118.7 . . ?
C75 C76 H76A 118.7 . . ?
C2S C1S H1SA 109.5 . . ?
C2S C1S H1SB 109.5 . . ?
H1SA C1S H1SB 109.5 . . ?
C2S C1S H1SC 109.5 . . ?
H1SA C1S H1SC 109.5 . . ?
H1SB C1S H1SC 109.5 . . ?
C2* C1S H1SD 109.5 . . ?
C2* C1S H1SE 109.5 . . ?
H1SD C1S H1SE 109.5 . . ?
C2* C1S H1SF 109.5 . . ?
H1SD C1S H1SF 109.5 . . ?
H1SE C1S H1SF 109.5 . . ?
C3S C2S C1S 110.9(8) . . ?
C3S C2S H2SA 109.5 . . ?
C1S C2S H2SA 109.5 . . ?
C3S C2S H2SB 109.5 . . ?
C1S C2S H2SB 109.5 . . ?
H2SA C2S H2SB 108.1 . . ?
C4S C3S C2S 115.6(8) . . ?
C4S C3S H3SA 108.4 . . ?
C2S C3S H3SA 108.4 . . ?
C4S C3S H3SB 108.4 . . ?
C2S C3S H3SB 108.4 . . ?
H3SA C3S H3SB 107.4 . . ?
C3S C4S C5S 111.8(8) . . ?
C3S C4S H4SA 109.3 . . ?
C5S C4S H4SA 109.3 . . ?
C3S C4S H4SB 109.3 . . ?
C5S C4S H4SB 109.3 . . ?
H4SA C4S H4SB 107.9 . . ?
C6S C5S C4S 112.9(8) . . ?
C6S C5S H5SA 109.0 . . ?
C4S C5S H5SA 109.0 . . ?
C6S C5S H5SB 109.0 . . ?
C4S C5S H5SB 109.0 . . ?
H5SA C5S H5SB 107.8 . . ?
C5S C6S H6SA 109.5 . . ?
C5S C6S H6SB 109.5 . . ?
H6SA C6S H6SB 109.5 . . ?
C5S C6S H6SC 109.5 . . ?
H6SA C6S H6SC 109.5 . . ?
H6SB C6S H6SC 109.5 . . ?
C3* C2* C1S 114.3(11) . . ?
C3* C2* H2SC 108.7 . . ?
C1S C2* H2SC 108.7 . . ?
C3* C2* H2SD 108.7 . . ?
C1S C2* H2SD 108.7 . . ?
H2SC C2* H2SD 107.6 . . ?
C4* C3* C2* 113.6(11) . . ?
C4* C3* H3SC 108.8 . . ?
C2* C3* H3SC 108.8 . . ?
C4* C3* H3SD 108.8 . . ?
C2* C3* H3SD 108.8 . . ?
H3SC C3* H3SD 107.7 . . ?
C5* C4* C3* 114.0(11) . . ?
C5* C4* H4SC 108.8 . . ?
C3* C4* H4SC 108.8 . . ?
C5* C4* H4SD 108.8 . . ?
C3* C4* H4SD 108.8 . . ?
H4SC C4* H4SD 107.7 . . ?
C4* C5* C6* 112.8(10) . . ?
C4* C5* H5SC 109.0 . . ?
C6* C5* H5SC 109.0 . . ?
C4* C5* H5SD 109.0 . . ?
C6* C5* H5SD 109.0 . . ?
H5SC C5* H5SD 107.8 . . ?
C5* C6* H6SD 109.5 . . ?
C5* C6* H6SE 109.5 . . ?
H6SD C6* H6SE 109.5 . . ?
C5* C6* H6SF 109.5 . . ?
H6SD C6* H6SF 109.5 . . ?
H6SE C6* H6SF 109.5 . . ?

_refine_diff_density_max         2.167
_refine_diff_density_min         -1.602
_refine_diff_density_rms         0.137

