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

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

data_6
_database_code_depnum_ccdc_archive 'CCDC 1864988'
loop_
_audit_author_name
_audit_author_address
'Shi-Ming Chen'
;Peking University
China
;
_audit_update_record             
;
2018-08-31 deposited with the CCDC.	2019-06-17 downloaded from the CCDC.
;
_audit_creation_date             2018-08-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        P21/c
_chemical_formula_moiety         'C38 H45 Dy Ge O'
_chemical_formula_sum            'C38 H45 Dy Ge O'
_chemical_formula_weight         752.83
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.1320(5)
_cell_length_b                   20.8389(7)
_cell_length_c                   22.9987(9)
_cell_angle_alpha                90
_cell_angle_beta                 94.211(3)
_cell_angle_gamma                90
_cell_volume                     6754.7(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    18918
_cell_measurement_temperature    180
_cell_measurement_theta_max      27.7250
_cell_measurement_theta_min      3.5170
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.112
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.481
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3032
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0773
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            24790
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.600
_diffrn_reflns_theta_min         1.776
_diffrn_ambient_temperature      180
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa single'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16626
_reflns_number_total             24790
_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         2.679
_refine_diff_density_min         -1.548
_refine_diff_density_rms         0.180
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     744
_refine_ls_number_reflns         24790
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.1047
_refine_ls_R_factor_gt           0.0689
_refine_ls_restrained_S_all      1.057
_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)+(0.0874P)²+25.2713P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1663
_refine_ls_wR_factor_ref         0.1789
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.7219(7) 0.2781(7)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 C39-C49A = C39-C49 = C49A-C50 = C49A-C51 = C49-C50A = C49-C51A
 1.54 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(C49A) = Uanis(C49)
Uanis(C50) = Uanis(C50A)
Uanis(C51) = Uanis(C51A)
Uanis(C28) = Uanis(C23)
5. Others
 Sof(C49)=Sof(H49)=Sof(C50A)=Sof(H50D)=Sof(H50E)=Sof(H50F)=Sof(C51A)=Sof(H51D)=
 Sof(H51E)=Sof(H51F)=1-FVAR(1)
 Sof(C49A)=Sof(H49A)=Sof(C50)=Sof(H50A)=Sof(H50B)=Sof(H50C)=Sof(C51)=Sof(H51A)=
 Sof(H51B)=Sof(H51C)=FVAR(1)
6.a Ternary CH refined with riding coordinates:
 C52(H52), C49A(H49A), C49(H49), C11(H11), C14(H14)
6.b Secondary CH2 refined with riding coordinates:
 C73(H73A,H73B), C74(H74A,H74B), C75(H75A,H75B), C76(H76A,H76B), C38(H38A,
 H38B), C37(H37A,H37B), C36(H36A,H36B), C35(H35A,H35B)
6.c Me refined with riding coordinates:
 C54(H54A,H54B,H54C), C53(H53A,H53B,H53C), C50(H50A,H50B,H50C), C51(H51A,H51B,
 H51C), C50A(H50D,H50E,H50F), C51A(H51D,H51E,H51F), C12(H12A,H12B,H12C),
 C13(H13A,H13B,H13C), C16(H16A,H16B,H16C), C15(H15A,H15B,H15C)
6.d Aromatic/amide H refined with riding coordinates:
 C48(H48), C47(H47), C46(H46), C45(H45), C40(H40), C41(H41), C42(H42),
 C43(H43), C62(H62), C63(H63), C64(H64), C65(H65), C66(H66), C68(H68), C69(H69),
  C70(H70), C71(H71), C72(H72), C60(H60), C59(H59), C58(H58), C57(H57),
 C56(H56), C5(H5), C4(H4), C3(H3), C2(H2), C7(H7), C8(H8), C9(H9), C10(H10),
 C28(H28), C27(H27), C26(H26), C25(H25), C24(H24), C22(H22), C21(H21), C20(H20),
  C19(H19), C18(H18), C34(H34), C33(H33), C32(H32), C31(H31), C30(H30)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy2 Dy 0.41729(3) 0.72875(2) 0.38033(2) 0.02564(12) Uani 1 1 d . . . . .
Ge2 Ge 0.28424(7) 0.63340(5) 0.42691(5) 0.0299(2) Uani 1 1 d . . . . .
O2 O 0.3777(4) 0.8095(3) 0.4464(3) 0.0309(15) Uani 1 1 d . . . . .
C44 C 0.3940(7) 0.8094(5) 0.2925(4) 0.032(2) Uani 1 1 d . . . . .
C48 C 0.4247(8) 0.7521(5) 0.2705(5) 0.042(3) Uani 1 1 d . . . . .
H48 H 0.4858 0.7455 0.2569 0.051 Uiso 1 1 calc R . . . .
C47 C 0.3547(8) 0.7053(5) 0.2709(4) 0.040(3) Uani 1 1 d . . . . .
H47 H 0.3588 0.6624 0.2572 0.048 Uiso 1 1 calc R . . . .
C46 C 0.2780(8) 0.7331(5) 0.2950(4) 0.039(3) Uani 1 1 d . . . . .
H46 H 0.2198 0.7124 0.3013 0.047 Uiso 1 1 calc R . . . .
C45 C 0.3009(7) 0.7978(5) 0.3088(4) 0.032(2) Uani 1 1 d . . . . .
H45 H 0.2609 0.8280 0.3259 0.039 Uiso 1 1 calc R . . . .
C52 C 0.4526(8) 0.8712(5) 0.3021(5) 0.040(3) Uani 1 1 d . . . . .
H52 H 0.4978 0.8645 0.3371 0.048 Uiso 1 1 calc R . . . .
C54 C 0.3887(9) 0.9282(5) 0.3149(5) 0.054(3) Uani 1 1 d . . . . .
H54A H 0.3524 0.9181 0.3485 0.082 Uiso 1 1 calc R . . . .
H54B H 0.4280 0.9662 0.3238 0.082 Uiso 1 1 calc R . . . .
H54C H 0.3449 0.9368 0.2808 0.082 Uiso 1 1 calc R . . . .
C53 C 0.5101(8) 0.8843(5) 0.2509(5) 0.046(3) Uani 1 1 d . . . . .
H53A H 0.5500 0.8470 0.2439 0.069 Uiso 1 1 calc R . . . .
H53B H 0.4674 0.8925 0.2162 0.069 Uiso 1 1 calc R . . . .
H53C H 0.5505 0.9219 0.2591 0.069 Uiso 1 1 calc R . . . .
C39 C 0.5733(7) 0.6583(5) 0.3672(5) 0.038(2) Uani 1 1 d D . . . .
C40 C 0.6025(6) 0.7222(5) 0.3730(5) 0.035(2) Uani 1 1 d . . . . .
H40 H 0.6273 0.7472 0.3430 0.042 Uiso 1 1 calc R . . . .
C41 C 0.5899(7) 0.7435(5) 0.4285(5) 0.034(2) Uani 1 1 d . . . . .
H41 H 0.6049 0.7851 0.4434 0.041 Uiso 1 1 calc R . . . .
C42 C 0.5509(7) 0.6926(5) 0.4594(5) 0.039(3) Uani 1 1 d . . . . .
H42 H 0.5339 0.6935 0.4986 0.047 Uiso 1 1 calc R . . . .
C43 C 0.5421(7) 0.6404(4) 0.4208(4) 0.033(2) Uani 1 1 d . . . . .
H43 H 0.5185 0.5992 0.4299 0.039 Uiso 1 1 calc R . . . .
C49A C 0.569(5) 0.606(2) 0.320(2) 0.047(5) Uani 0.25(2) 1 d D . P A 1
H49A H 0.5046 0.6072 0.2985 0.056 Uiso 0.25(2) 1 calc R . P A 1
C50 C 0.643(4) 0.627(3) 0.279(3) 0.069(6) Uani 0.25(2) 1 d D . P A 1
H50A H 0.6446 0.5963 0.2468 0.103 Uiso 0.25(2) 1 calc R . P A 1
H50B H 0.6262 0.6698 0.2628 0.103 Uiso 0.25(2) 1 calc R . P A 1
H50C H 0.7053 0.6293 0.3002 0.103 Uiso 0.25(2) 1 calc R . P A 1
C51 C 0.588(5) 0.539(2) 0.345(3) 0.084(9) Uani 0.25(2) 1 d D . P A 1
H51A H 0.5385 0.5282 0.3712 0.126 Uiso 0.25(2) 1 calc R . P A 1
H51B H 0.5873 0.5080 0.3133 0.126 Uiso 0.25(2) 1 calc R . P A 1
H51C H 0.6500 0.5387 0.3671 0.126 Uiso 0.25(2) 1 calc R . P A 1
C49 C 0.5882(13) 0.6182(8) 0.3129(9) 0.047(5) Uani 0.75(2) 1 d D . P A 2
H49 H 0.5632 0.6444 0.2787 0.056 Uiso 0.75(2) 1 calc R . P A 2
C50A C 0.6913(12) 0.6042(10) 0.3038(9) 0.069(6) Uani 0.75(2) 1 d D . P A 2
H50D H 0.6952 0.5785 0.2683 0.103 Uiso 0.75(2) 1 calc R . P A 2
H50E H 0.7255 0.6447 0.2997 0.103 Uiso 0.75(2) 1 calc R . P A 2
H50F H 0.7199 0.5804 0.3373 0.103 Uiso 0.75(2) 1 calc R . P A 2
C51A C 0.5288(15) 0.5562(9) 0.3117(11) 0.084(9) Uani 0.75(2) 1 d D . P A 2
H51D H 0.4626 0.5667 0.3177 0.126 Uiso 0.75(2) 1 calc R . P A 2
H51E H 0.5320 0.5349 0.2739 0.126 Uiso 0.75(2) 1 calc R . P A 2
H51F H 0.5540 0.5274 0.3429 0.126 Uiso 0.75(2) 1 calc R . P A 2
C61 C 0.1458(7) 0.6380(5) 0.3998(4) 0.035(2) Uani 1 1 d . . . . .
C62 C 0.1017(8) 0.6975(5) 0.3935(4) 0.039(2) Uani 1 1 d . . . . .
H62 H 0.1380 0.7349 0.4032 0.047 Uiso 1 1 calc R . . . .
C63 C 0.0090(8) 0.7046(7) 0.3741(5) 0.054(3) Uani 1 1 d . . . . .
H63 H -0.0181 0.7462 0.3697 0.065 Uiso 1 1 calc R . . . .
C64 C -0.0461(9) 0.6501(8) 0.3607(5) 0.062(4) Uani 1 1 d . . . . .
H64 H -0.1107 0.6543 0.3468 0.074 Uiso 1 1 calc R . . . .
C65 C -0.0062(9) 0.5912(7) 0.3677(5) 0.060(4) Uani 1 1 d . . . . .
H65 H -0.0438 0.5541 0.3591 0.071 Uiso 1 1 calc R . . . .
C66 C 0.0903(8) 0.5839(6) 0.3875(5) 0.047(3) Uani 1 1 d . . . . .
H66 H 0.1171 0.5423 0.3923 0.056 Uiso 1 1 calc R . . . .
C67 C 0.2801(6) 0.6269(4) 0.5122(4) 0.024(2) Uani 1 1 d . . . . .
C68 C 0.3282(7) 0.6673(5) 0.5525(5) 0.038(3) Uani 1 1 d . . . . .
H68 H 0.3651 0.7011 0.5381 0.046 Uiso 1 1 calc R . . . .
C69 C 0.3255(7) 0.6612(6) 0.6119(5) 0.044(3) Uani 1 1 d . . . . .
H69 H 0.3589 0.6909 0.6371 0.053 Uiso 1 1 calc R . . . .
C70 C 0.2753(8) 0.6127(6) 0.6348(5) 0.051(3) Uani 1 1 d . . . . .
H70 H 0.2753 0.6072 0.6758 0.062 Uiso 1 1 calc R . . . .
C71 C 0.2237(8) 0.5713(5) 0.5965(5) 0.047(3) Uani 1 1 d . . . . .
H71 H 0.1868 0.5379 0.6116 0.056 Uiso 1 1 calc R . . . .
C72 C 0.2260(8) 0.5787(5) 0.5371(5) 0.043(3) Uani 1 1 d . . . . .
H72 H 0.1898 0.5502 0.5121 0.051 Uiso 1 1 calc R . . . .
C55 C 0.3168(8) 0.5430(5) 0.4077(4) 0.034(2) Uani 1 1 d . . . . .
C60 C 0.3747(7) 0.5059(5) 0.4469(4) 0.037(2) Uani 1 1 d . . . . .
H60 H 0.3924 0.5226 0.4846 0.045 Uiso 1 1 calc R . . . .
C59 C 0.4069(9) 0.4453(5) 0.4321(5) 0.048(3) Uani 1 1 d . . . . .
H59 H 0.4472 0.4216 0.4591 0.058 Uiso 1 1 calc R . . . .
C58 C 0.3799(9) 0.4201(6) 0.3782(6) 0.051(3) Uani 1 1 d . . . . .
H58 H 0.4001 0.3783 0.3682 0.062 Uiso 1 1 calc R . . . .
C57 C 0.3243(8) 0.4549(6) 0.3390(5) 0.052(3) Uani 1 1 d . . . . .
H57 H 0.3073 0.4375 0.3015 0.062 Uiso 1 1 calc R . . . .
C56 C 0.2915(8) 0.5164(6) 0.3532(5) 0.047(3) Uani 1 1 d . . . . .
H56 H 0.2521 0.5398 0.3255 0.056 Uiso 1 1 calc R . . . .
C73 C 0.4389(7) 0.8609(5) 0.4715(5) 0.035(2) Uani 1 1 d . . . . .
H73A H 0.4762 0.8805 0.4413 0.041 Uiso 1 1 calc R . . . .
H73B H 0.4832 0.8441 0.5032 0.041 Uiso 1 1 calc R . . . .
C74 C 0.3722(9) 0.9091(5) 0.4947(5) 0.048(3) Uani 1 1 d . . . . .
H74A H 0.3488 0.9397 0.4640 0.058 Uiso 1 1 calc R . . . .
H74B H 0.4031 0.9333 0.5280 0.058 Uiso 1 1 calc R . . . .
C75 C 0.2928(8) 0.8673(5) 0.5138(5) 0.048(3) Uani 1 1 d . . . . .
H75A H 0.2334 0.8921 0.5160 0.058 Uiso 1 1 calc R . . . .
H75B H 0.3100 0.8472 0.5522 0.058 Uiso 1 1 calc R . . . .
C76 C 0.2827(7) 0.8172(5) 0.4658(4) 0.038(2) Uani 1 1 d . . . . .
H76A H 0.2591 0.7762 0.4809 0.046 Uiso 1 1 calc R . . . .
H76B H 0.2381 0.8321 0.4333 0.046 Uiso 1 1 calc R . . . .
Dy1 Dy 0.93702(3) 0.73202(2) 0.11033(2) 0.02718(12) Uani 1 1 d . . . . .
Ge1 Ge 0.78837(7) 0.64035(5) 0.06477(5) 0.0289(2) Uani 1 1 d . . . . .
O1 O 0.8918(4) 0.8173(3) 0.0477(3) 0.0300(15) Uani 1 1 d . . . . .
C1 C 0.9151(8) 0.8114(5) 0.1988(4) 0.037(2) Uani 1 1 d . . . . .
C5 C 0.9702(8) 0.7601(5) 0.2201(5) 0.043(3) Uani 1 1 d . . . . .
H5 H 1.0353 0.7622 0.2335 0.051 Uiso 1 1 calc R . . . .
C4 C 0.9119(9) 0.7029(5) 0.2185(4) 0.046(3) Uani 1 1 d . . . . .
H4 H 0.9310 0.6608 0.2299 0.055 Uiso 1 1 calc R . . . .
C3 C 0.8214(9) 0.7225(6) 0.1966(5) 0.049(3) Uani 1 1 d . . . . .
H3 H 0.7669 0.6958 0.1915 0.059 Uiso 1 1 calc R . . . .
C2 C 0.8244(8) 0.7871(5) 0.1838(4) 0.041(3) Uani 1 1 d . . . . .
H2 H 0.7725 0.8115 0.1671 0.049 Uiso 1 1 calc R . . . .
C11 C 0.9456(10) 0.8815(6) 0.1948(5) 0.055(3) Uani 1 1 d . . . . .
H11 H 0.9137 0.8994 0.1581 0.067 Uiso 1 1 calc R . . . .
C12 C 1.0518(10) 0.8876(6) 0.1902(6) 0.068(4) Uani 1 1 d . . . . .
H12A H 1.0707 0.8618 0.1574 0.102 Uiso 1 1 calc R . . . .
H12B H 1.0680 0.9327 0.1839 0.102 Uiso 1 1 calc R . . . .
H12C H 1.0854 0.8724 0.2264 0.102 Uiso 1 1 calc R . . . .
C13 C 0.9128(9) 0.9204(6) 0.2447(6) 0.062(4) Uani 1 1 d . . . . .
H13A H 0.8441 0.9154 0.2463 0.094 Uiso 1 1 calc R . . . .
H13B H 0.9452 0.9054 0.2813 0.094 Uiso 1 1 calc R . . . .
H13C H 0.9278 0.9658 0.2388 0.094 Uiso 1 1 calc R . . . .
C6 C 1.0768(7) 0.6470(5) 0.1110(4) 0.032(2) Uani 1 1 d . . . . .
C7 C 1.1220(7) 0.7079(5) 0.1203(5) 0.040(3) Uani 1 1 d . . . . .
H7 H 1.1572 0.7214 0.1549 0.048 Uiso 1 1 calc R . . . .
C8 C 1.1055(7) 0.7443(5) 0.0694(5) 0.036(3) Uani 1 1 d . . . . .
H8 H 1.1269 0.7869 0.0637 0.043 Uiso 1 1 calc R . . . .
C9 C 1.0521(7) 0.7070(5) 0.0281(4) 0.033(2) Uani 1 1 d . . . . .
H9 H 1.0311 0.7200 -0.0103 0.040 Uiso 1 1 calc R . . . .
C10 C 1.0349(8) 0.6473(5) 0.0533(4) 0.039(3) Uani 1 1 d . . . . .
H10 H 1.0008 0.6127 0.0347 0.046 Uiso 1 1 calc R . . . .
C14 C 1.0850(8) 0.5904(5) 0.1525(5) 0.038(3) Uani 1 1 d . . . . .
H14 H 1.0189 0.5774 0.1602 0.046 Uiso 1 1 calc R . . . .
C16 C 1.1370(10) 0.6050(6) 0.2108(6) 0.069(4) Uani 1 1 d . . . . .
H16A H 1.1393 0.5662 0.2350 0.103 Uiso 1 1 calc R . . . .
H16B H 1.2018 0.6190 0.2048 0.103 Uiso 1 1 calc R . . . .
H16C H 1.1037 0.6391 0.2303 0.103 Uiso 1 1 calc R . . . .
C15 C 1.1296(11) 0.5341(6) 0.1226(6) 0.073(4) Uani 1 1 d . . . . .
H15A H 1.0944 0.5259 0.0850 0.110 Uiso 1 1 calc R . . . .
H15B H 1.1957 0.5443 0.1162 0.110 Uiso 1 1 calc R . . . .
H15C H 1.1274 0.4959 0.1473 0.110 Uiso 1 1 calc R . . . .
C23 C 0.7640(7) 0.6282(5) -0.0203(5) 0.0353(17) Uani 1 1 d . . . . .
C28 C 0.8125(7) 0.6619(5) -0.0605(4) 0.0353(17) Uani 1 1 d . . . . .
H28 H 0.8619 0.6903 -0.0470 0.042 Uiso 1 1 calc R . . . .
C27 C 0.7911(9) 0.6554(6) -0.1198(5) 0.052(3) Uani 1 1 d . . . . .
H27 H 0.8235 0.6811 -0.1460 0.063 Uiso 1 1 calc R . . . .
C26 C 0.7246(9) 0.6128(6) -0.1411(5) 0.051(3) Uani 1 1 d . . . . .
H26 H 0.7139 0.6068 -0.1820 0.061 Uiso 1 1 calc R . . . .
C25 C 0.6717(9) 0.5777(5) -0.1029(5) 0.051(3) Uani 1 1 d . . . . .
H25 H 0.6225 0.5495 -0.1172 0.061 Uiso 1 1 calc R . . . .
C24 C 0.6937(8) 0.5854(5) -0.0432(5) 0.040(3) Uani 1 1 d . . . . .
H24 H 0.6598 0.5607 -0.0169 0.048 Uiso 1 1 calc R . . . .
C17 C 0.8230(6) 0.5525(4) 0.0929(4) 0.030(2) Uani 1 1 d . . . . .
C22 C 0.8597(7) 0.5069(5) 0.0562(5) 0.040(3) Uani 1 1 d . . . . .
H22 H 0.8623 0.5162 0.0159 0.048 Uiso 1 1 calc R . . . .
C21 C 0.8927(9) 0.4474(5) 0.0783(6) 0.054(3) Uani 1 1 d . . . . .
H21 H 0.9184 0.4171 0.0529 0.064 Uiso 1 1 calc R . . . .
C20 C 0.8883(8) 0.4330(5) 0.1358(6) 0.050(3) Uani 1 1 d . . . . .
H20 H 0.9101 0.3925 0.1504 0.060 Uiso 1 1 calc R . . . .
C19 C 0.8523(8) 0.4770(6) 0.1725(5) 0.049(3) Uani 1 1 d . . . . .
H19 H 0.8493 0.4672 0.2127 0.059 Uiso 1 1 calc R . . . .
C18 C 0.8201(8) 0.5365(5) 0.1509(5) 0.044(3) Uani 1 1 d . . . . .
H18 H 0.7955 0.5667 0.1768 0.053 Uiso 1 1 calc R . . . .
C29 C 0.6589(7) 0.6494(5) 0.0926(4) 0.032(2) Uani 1 1 d . . . . .
C34 C 0.6190(7) 0.7097(5) 0.0960(5) 0.038(2) Uani 1 1 d . . . . .
H34 H 0.6530 0.7456 0.0828 0.046 Uiso 1 1 calc R . . . .
C33 C 0.5307(7) 0.7200(5) 0.1179(5) 0.039(3) Uani 1 1 d . . . . .
H33 H 0.5063 0.7623 0.1206 0.047 Uiso 1 1 calc R . . . .
C32 C 0.4797(7) 0.6686(6) 0.1356(4) 0.041(3) Uani 1 1 d . . . . .
H32 H 0.4195 0.6748 0.1506 0.049 Uiso 1 1 calc R . . . .
C31 C 0.5163(8) 0.6084(6) 0.1314(5) 0.046(3) Uani 1 1 d . . . . .
H31 H 0.4808 0.5728 0.1435 0.055 Uiso 1 1 calc R . . . .
C30 C 0.6034(8) 0.5981(5) 0.1101(4) 0.039(3) Uani 1 1 d . . . . .
H30 H 0.6264 0.5555 0.1072 0.047 Uiso 1 1 calc R . . . .
C38 C 0.9533(9) 0.8666(5) 0.0249(4) 0.041(3) Uani 1 1 d . . . . .
H38A H 0.9864 0.8497 -0.0084 0.049 Uiso 1 1 calc R . . . .
H38B H 1.0013 0.8813 0.0556 0.049 Uiso 1 1 calc R . . . .
C37 C 0.8874(9) 0.9207(5) 0.0056(5) 0.052(3) Uani 1 1 d . . . . .
H37A H 0.9138 0.9467 -0.0254 0.062 Uiso 1 1 calc R . . . .
H37B H 0.8743 0.9489 0.0387 0.062 Uiso 1 1 calc R . . . .
C36 C 0.7985(9) 0.8847(6) -0.0174(5) 0.053(3) Uani 1 1 d . . . . .
H36A H 0.7414 0.9123 -0.0179 0.063 Uiso 1 1 calc R . . . .
H36B H 0.8051 0.8673 -0.0570 0.063 Uiso 1 1 calc R . . . .
C35 C 0.7957(8) 0.8320(6) 0.0272(5) 0.050(3) Uani 1 1 d . . . . .
H35A H 0.7593 0.8461 0.0601 0.060 Uiso 1 1 calc R . . . .
H35B H 0.7645 0.7934 0.0094 0.060 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy2 Ge2 2.9878(11) . ?
Dy2 O2 2.361(6) . ?
Dy2 C44 2.630(9) . ?
Dy2 C48 2.582(12) . ?
Dy2 C47 2.651(9) . ?
Dy2 C46 2.677(10) . ?
Dy2 C45 2.662(9) . ?
Dy2 C39 2.684(10) . ?
Dy2 C40 2.639(9) . ?
Dy2 C41 2.623(9) . ?
Dy2 C42 2.634(10) . ?
Dy2 C43 2.670(10) . ?
Ge2 C61 2.011(10) . ?
Ge2 C67 1.970(9) . ?
Ge2 C55 1.996(10) . ?
O2 C73 1.469(11) . ?
O2 C76 1.454(12) . ?
C44 C48 1.378(14) . ?
C44 C45 1.416(14) . ?
C44 C52 1.539(14) . ?
C48 C47 1.391(14) . ?
C47 C46 1.380(15) . ?
C46 C45 1.417(14) . ?
C52 C54 1.534(15) . ?
C52 C53 1.506(14) . ?
C39 C40 1.398(13) . ?
C39 C43 1.390(14) . ?
C39 C49A 1.53(2) . ?
C39 C49 1.530(16) . ?
C40 C41 1.376(15) . ?
C41 C42 1.411(14) . ?
C42 C43 1.405(14) . ?
C49A C50 1.53(2) . ?
C49A C51 1.53(2) . ?
C49 C50A 1.516(17) . ?
C49 C51A 1.541(16) . ?
C61 C62 1.390(14) . ?
C61 C66 1.391(14) . ?
C62 C63 1.361(15) . ?
C63 C64 1.399(18) . ?
C64 C65 1.356(19) . ?
C65 C66 1.413(16) . ?
C67 C68 1.392(13) . ?
C67 C72 1.411(13) . ?
C68 C69 1.376(15) . ?
C69 C70 1.363(15) . ?
C70 C71 1.399(16) . ?
C71 C72 1.377(15) . ?
C55 C60 1.405(14) . ?
C55 C56 1.393(14) . ?
C60 C59 1.392(14) . ?
C59 C58 1.376(16) . ?
C58 C57 1.360(17) . ?
C57 C56 1.408(16) . ?
C73 C74 1.502(14) . ?
C74 C75 1.512(16) . ?
C75 C76 1.519(14) . ?
Dy1 Ge1 2.9727(11) . ?
Dy1 O1 2.345(6) . ?
Dy1 C1 2.659(10) . ?
Dy1 C5 2.601(11) . ?
Dy1 C4 2.610(10) . ?
Dy1 C3 2.670(11) . ?
Dy1 C2 2.665(10) . ?
Dy1 C6 2.653(9) . ?
Dy1 C7 2.656(10) . ?
Dy1 C8 2.637(9) . ?
Dy1 C9 2.635(9) . ?
Dy1 C10 2.649(10) . ?
Ge1 C23 1.979(11) . ?
Ge1 C17 1.990(9) . ?
Ge1 C29 1.991(10) . ?
O1 C38 1.468(12) . ?
O1 C35 1.438(12) . ?
C1 C5 1.391(15) . ?
C1 C2 1.398(15) . ?
C1 C11 1.527(15) . ?
C5 C4 1.447(15) . ?
C4 C3 1.401(17) . ?
C3 C2 1.380(15) . ?
C11 C12 1.519(18) . ?
C11 C13 1.505(15) . ?
C6 C7 1.430(14) . ?
C6 C10 1.412(14) . ?
C6 C14 1.516(13) . ?
C7 C8 1.399(15) . ?
C8 C9 1.403(14) . ?
C9 C10 1.403(13) . ?
C14 C16 1.512(16) . ?
C14 C15 1.520(15) . ?
C23 C28 1.382(14) . ?
C23 C24 1.408(14) . ?
C28 C27 1.380(15) . ?
C27 C26 1.359(17) . ?
C26 C25 1.400(17) . ?
C25 C24 1.395(16) . ?
C17 C22 1.396(14) . ?
C17 C18 1.377(14) . ?
C22 C21 1.407(14) . ?
C21 C20 1.363(17) . ?
C20 C19 1.370(16) . ?
C19 C18 1.400(15) . ?
C29 C34 1.382(13) . ?
C29 C30 1.402(14) . ?
C34 C33 1.396(14) . ?
C33 C32 1.369(15) . ?
C32 C31 1.363(15) . ?
C31 C30 1.374(15) . ?
C38 C37 1.509(14) . ?
C37 C36 1.524(17) . ?
C36 C35 1.506(15) . ?

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 Dy2 Ge2 93.33(16) . . ?
O2 Dy2 C44 91.0(3) . . ?
O2 Dy2 C48 121.5(3) . . ?
O2 Dy2 C47 131.6(3) . . ?
O2 Dy2 C46 104.5(3) . . ?
O2 Dy2 C45 81.2(3) . . ?
O2 Dy2 C39 134.2(3) . . ?
O2 Dy2 C40 111.2(3) . . ?
O2 Dy2 C41 84.4(3) . . ?
O2 Dy2 C42 87.2(3) . . ?
O2 Dy2 C43 116.7(3) . . ?
C44 Dy2 Ge2 130.8(2) . . ?
C44 Dy2 C47 51.3(3) . . ?
C44 Dy2 C46 51.1(3) . . ?
C44 Dy2 C45 31.0(3) . . ?
C44 Dy2 C39 108.7(3) . . ?
C44 Dy2 C40 93.0(3) . . ?
C44 Dy2 C42 139.1(3) . . ?
C44 Dy2 C43 138.6(3) . . ?
C48 Dy2 Ge2 123.2(2) . . ?
C48 Dy2 C44 30.6(3) . . ?
C48 Dy2 C47 30.8(3) . . ?
C48 Dy2 C46 50.0(3) . . ?
C48 Dy2 C45 50.3(3) . . ?
C48 Dy2 C39 84.3(3) . . ?
C48 Dy2 C40 80.5(4) . . ?
C48 Dy2 C41 106.7(3) . . ?
C48 Dy2 C42 130.6(4) . . ?
C48 Dy2 C43 113.4(3) . . ?
C47 Dy2 Ge2 92.4(2) . . ?
C47 Dy2 C46 30.0(3) . . ?
C47 Dy2 C45 50.6(3) . . ?
C47 Dy2 C39 90.7(4) . . ?
C47 Dy2 C43 111.7(3) . . ?
C46 Dy2 Ge2 80.6(2) . . ?
C46 Dy2 C39 120.1(3) . . ?
C45 Dy2 Ge2 101.8(2) . . ?
C45 Dy2 C46 30.8(3) . . ?
C45 Dy2 C39 134.6(3) . . ?
C45 Dy2 C43 162.0(3) . . ?
C39 Dy2 Ge2 102.7(2) . . ?
C40 Dy2 Ge2 130.0(2) . . ?
C40 Dy2 C47 101.1(4) . . ?
C40 Dy2 C46 129.4(3) . . ?
C40 Dy2 C45 124.0(3) . . ?
C40 Dy2 C39 30.4(3) . . ?
C40 Dy2 C43 49.7(3) . . ?
C41 Dy2 Ge2 121.1(2) . . ?
C41 Dy2 C44 108.0(3) . . ?
C41 Dy2 C47 131.2(4) . . ?
C41 Dy2 C46 156.5(3) . . ?
C41 Dy2 C45 135.3(3) . . ?
C41 Dy2 C39 50.6(3) . . ?
C41 Dy2 C40 30.3(3) . . ?
C41 Dy2 C42 31.1(3) . . ?
C41 Dy2 C43 50.4(3) . . ?
C42 Dy2 Ge2 90.0(2) . . ?
C42 Dy2 C47 140.8(4) . . ?
C42 Dy2 C46 165.3(3) . . ?
C42 Dy2 C45 163.8(3) . . ?
C42 Dy2 C39 50.8(3) . . ?
C42 Dy2 C40 50.6(3) . . ?
C42 Dy2 C43 30.7(3) . . ?
C43 Dy2 Ge2 80.4(2) . . ?
C43 Dy2 C46 135.3(3) . . ?
C43 Dy2 C39 30.1(3) . . ?
C61 Ge2 Dy2 118.7(3) . . ?
C67 Ge2 Dy2 117.9(3) . . ?
C67 Ge2 C61 102.2(4) . . ?
C67 Ge2 C55 100.3(4) . . ?
C55 Ge2 Dy2 112.8(3) . . ?
C55 Ge2 C61 102.2(4) . . ?
C73 O2 Dy2 127.8(5) . . ?
C76 O2 Dy2 123.0(5) . . ?
C76 O2 C73 109.2(7) . . ?
C48 C44 Dy2 72.8(6) . . ?
C48 C44 C45 105.9(9) . . ?
C48 C44 C52 126.7(10) . . ?
C45 C44 Dy2 75.8(5) . . ?
C45 C44 C52 127.2(10) . . ?
C52 C44 Dy2 112.9(6) . . ?
C44 C48 Dy2 76.6(6) . . ?
C44 C48 C47 111.2(11) . . ?
C47 C48 Dy2 77.4(6) . . ?
C48 C47 Dy2 71.9(6) . . ?
C46 C47 Dy2 76.0(6) . . ?
C46 C47 C48 106.7(10) . . ?
C47 C46 Dy2 74.0(6) . . ?
C47 C46 C45 108.5(9) . . ?
C45 C46 Dy2 74.1(5) . . ?
C44 C45 Dy2 73.2(5) . . ?
C44 C45 C46 107.7(10) . . ?
C46 C45 Dy2 75.2(6) . . ?
C54 C52 C44 111.0(9) . . ?
C53 C52 C44 110.8(9) . . ?
C53 C52 C54 111.7(9) . . ?
C40 C39 Dy2 73.0(6) . . ?
C40 C39 C49A 137(2) . . ?
C40 C39 C49 122.7(11) . . ?
C43 C39 Dy2 74.4(6) . . ?
C43 C39 C40 106.4(9) . . ?
C43 C39 C49A 116(2) . . ?
C43 C39 C49 130.5(11) . . ?
C49A C39 Dy2 118(3) . . ?
C49 C39 Dy2 123.6(10) . . ?
C39 C40 Dy2 76.6(6) . . ?
C41 C40 Dy2 74.2(6) . . ?
C41 C40 C39 109.7(9) . . ?
C40 C41 Dy2 75.5(5) . . ?
C40 C41 C42 107.9(9) . . ?
C42 C41 Dy2 74.9(6) . . ?
C41 C42 Dy2 74.0(6) . . ?
C43 C42 Dy2 76.0(6) . . ?
C43 C42 C41 106.4(9) . . ?
C39 C43 Dy2 75.5(6) . . ?
C39 C43 C42 109.5(8) . . ?
C42 C43 Dy2 73.2(5) . . ?
C39 C49A C51 112(4) . . ?
C50 C49A C39 104(3) . . ?
C50 C49A C51 113(6) . . ?
C39 C49 C51A 111.4(13) . . ?
C50A C49 C39 114.1(14) . . ?
C50A C49 C51A 111.3(16) . . ?
C62 C61 Ge2 119.6(8) . . ?
C62 C61 C66 117.3(10) . . ?
C66 C61 Ge2 123.1(8) . . ?
C63 C62 C61 123.0(11) . . ?
C62 C63 C64 119.4(13) . . ?
C65 C64 C63 119.4(12) . . ?
C64 C65 C66 121.1(12) . . ?
C61 C66 C65 119.7(12) . . ?
C68 C67 Ge2 124.9(7) . . ?
C68 C67 C72 114.4(9) . . ?
C72 C67 Ge2 120.7(7) . . ?
C69 C68 C67 123.9(9) . . ?
C70 C69 C68 120.4(11) . . ?
C69 C70 C71 118.4(10) . . ?
C72 C71 C70 120.5(10) . . ?
C71 C72 C67 122.4(10) . . ?
C60 C55 Ge2 120.7(8) . . ?
C56 C55 Ge2 121.8(8) . . ?
C56 C55 C60 117.2(10) . . ?
C59 C60 C55 121.9(10) . . ?
C58 C59 C60 119.5(11) . . ?
C57 C58 C59 120.1(11) . . ?
C58 C57 C56 121.0(11) . . ?
C55 C56 C57 120.3(12) . . ?
O2 C73 C74 105.1(8) . . ?
C73 C74 C75 102.5(9) . . ?
C74 C75 C76 102.5(9) . . ?
O2 C76 C75 105.1(8) . . ?
O1 Dy1 Ge1 96.70(16) . . ?
O1 Dy1 C1 87.5(3) . . ?
O1 Dy1 C5 116.6(3) . . ?
O1 Dy1 C4 135.3(3) . . ?
O1 Dy1 C3 111.0(3) . . ?
O1 Dy1 C2 85.1(3) . . ?
O1 Dy1 C6 132.7(3) . . ?
O1 Dy1 C7 114.7(3) . . ?
O1 Dy1 C8 85.4(3) . . ?
O1 Dy1 C9 82.2(3) . . ?
O1 Dy1 C10 109.3(3) . . ?
C1 Dy1 Ge1 123.4(2) . . ?
C1 Dy1 C3 50.6(3) . . ?
C1 Dy1 C2 30.4(3) . . ?
C5 Dy1 Ge1 124.0(2) . . ?
C5 Dy1 C1 30.6(3) . . ?
C5 Dy1 C4 32.3(3) . . ?
C5 Dy1 C3 51.0(4) . . ?
C5 Dy1 C2 50.3(4) . . ?
C5 Dy1 C6 93.6(3) . . ?
C5 Dy1 C7 81.5(4) . . ?
C5 Dy1 C8 102.8(4) . . ?
C5 Dy1 C9 131.7(4) . . ?
C5 Dy1 C10 124.5(4) . . ?
C4 Dy1 Ge1 92.5(3) . . ?
C4 Dy1 C1 51.9(3) . . ?
C4 Dy1 C3 30.7(4) . . ?
C4 Dy1 C2 50.7(4) . . ?
C4 Dy1 C6 89.6(3) . . ?
C4 Dy1 C7 94.4(4) . . ?
C4 Dy1 C8 123.6(4) . . ?
C4 Dy1 C9 140.6(4) . . ?
C4 Dy1 C10 115.4(3) . . ?
C3 Dy1 Ge1 76.1(2) . . ?
C2 Dy1 Ge1 93.5(2) . . ?
C2 Dy1 C3 30.0(3) . . ?
C6 Dy1 Ge1 94.6(2) . . ?
C6 Dy1 C1 122.7(3) . . ?
C6 Dy1 C3 116.3(4) . . ?
C6 Dy1 C2 139.8(3) . . ?
C6 Dy1 C7 31.3(3) . . ?
C7 Dy1 Ge1 125.1(2) . . ?
C7 Dy1 C1 102.8(3) . . ?
C7 Dy1 C3 125.1(4) . . ?
C7 Dy1 C2 131.1(4) . . ?
C8 Dy1 Ge1 124.7(2) . . ?
C8 Dy1 C1 111.9(3) . . ?
C8 Dy1 C3 153.0(4) . . ?
C8 Dy1 C2 141.4(3) . . ?
C8 Dy1 C6 51.3(3) . . ?
C8 Dy1 C7 30.7(3) . . ?
C8 Dy1 C10 50.9(3) . . ?
C9 Dy1 Ge1 94.4(2) . . ?
C9 Dy1 C1 141.7(3) . . ?
C9 Dy1 C3 164.3(4) . . ?
C9 Dy1 C2 165.7(3) . . ?
C9 Dy1 C6 51.2(3) . . ?
C9 Dy1 C7 50.9(3) . . ?
C9 Dy1 C8 30.9(3) . . ?
C9 Dy1 C10 30.8(3) . . ?
C10 Dy1 Ge1 77.2(2) . . ?
C10 Dy1 C1 152.6(4) . . ?
C10 Dy1 C3 133.5(3) . . ?
C10 Dy1 C2 163.5(3) . . ?
C10 Dy1 C6 30.9(3) . . ?
C10 Dy1 C7 50.9(4) . . ?
C23 Ge1 Dy1 119.9(3) . . ?
C23 Ge1 C17 103.0(4) . . ?
C23 Ge1 C29 103.5(4) . . ?
C17 Ge1 Dy1 109.0(3) . . ?
C17 Ge1 C29 101.1(4) . . ?
C29 Ge1 Dy1 117.9(3) . . ?
C38 O1 Dy1 127.4(6) . . ?
C35 O1 Dy1 124.8(6) . . ?
C35 O1 C38 107.7(7) . . ?
C5 C1 Dy1 72.4(6) . . ?
C5 C1 C2 106.7(10) . . ?
C5 C1 C11 127.2(11) . . ?
C2 C1 Dy1 75.0(6) . . ?
C2 C1 C11 126.1(11) . . ?
C11 C1 Dy1 119.9(7) . . ?
C1 C5 Dy1 77.0(6) . . ?
C1 C5 C4 108.7(10) . . ?
C4 C5 Dy1 74.2(6) . . ?
C5 C4 Dy1 73.5(6) . . ?
C3 C4 Dy1 77.0(6) . . ?
C3 C4 C5 105.8(10) . . ?
C4 C3 Dy1 72.3(7) . . ?
C2 C3 Dy1 74.8(6) . . ?
C2 C3 C4 108.6(10) . . ?
C1 C2 Dy1 74.6(6) . . ?
C3 C2 Dy1 75.2(7) . . ?
C3 C2 C1 110.1(11) . . ?
C12 C11 C1 111.7(11) . . ?
C13 C11 C1 111.4(10) . . ?
C13 C11 C12 111.6(10) . . ?
C7 C6 Dy1 74.5(5) . . ?
C7 C6 C14 125.7(9) . . ?
C10 C6 Dy1 74.4(6) . . ?
C10 C6 C7 106.8(9) . . ?
C10 C6 C14 127.0(9) . . ?
C14 C6 Dy1 123.0(7) . . ?
C6 C7 Dy1 74.3(6) . . ?
C8 C7 Dy1 73.9(6) . . ?
C8 C7 C6 108.1(10) . . ?
C7 C8 Dy1 75.4(6) . . ?
C7 C8 C9 108.4(9) . . ?
C9 C8 Dy1 74.5(5) . . ?
C8 C9 Dy1 74.6(5) . . ?
C10 C9 Dy1 75.2(5) . . ?
C10 C9 C8 108.2(9) . . ?
C6 C10 Dy1 74.7(5) . . ?
C9 C10 Dy1 74.1(5) . . ?
C9 C10 C6 108.6(9) . . ?
C6 C14 C15 109.3(9) . . ?
C16 C14 C6 114.4(9) . . ?
C16 C14 C15 111.4(11) . . ?
C28 C23 Ge1 122.5(8) . . ?
C28 C23 C24 116.3(10) . . ?
C24 C23 Ge1 121.1(8) . . ?
C27 C28 C23 121.8(11) . . ?
C26 C27 C28 121.1(12) . . ?
C27 C26 C25 120.1(11) . . ?
C24 C25 C26 117.9(11) . . ?
C25 C24 C23 122.7(11) . . ?
C22 C17 Ge1 121.5(8) . . ?
C18 C17 Ge1 120.9(8) . . ?
C18 C17 C22 117.3(9) . . ?
C17 C22 C21 120.6(11) . . ?
C20 C21 C22 120.5(11) . . ?
C21 C20 C19 119.7(10) . . ?
C20 C19 C18 120.0(11) . . ?
C17 C18 C19 121.8(11) . . ?
C34 C29 Ge1 119.5(8) . . ?
C34 C29 C30 115.9(10) . . ?
C30 C29 Ge1 124.6(8) . . ?
C29 C34 C33 122.6(10) . . ?
C32 C33 C34 119.4(9) . . ?
C31 C32 C33 119.1(10) . . ?
C32 C31 C30 121.6(10) . . ?
C31 C30 C29 121.2(10) . . ?
O1 C38 C37 105.0(9) . . ?
C38 C37 C36 102.1(9) . . ?
C35 C36 C37 100.6(10) . . ?
O1 C35 C36 107.9(9) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.7219(7)
2 0.2781(7)

####################################################################### 
# 
# 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_reducted
_database_code_depnum_ccdc_archive 'CCDC 1864989'
loop_
_audit_author_name
_audit_author_address
'Shi-Ming Chen'
;Peking University
China
;
_audit_update_record             
;
2018-08-31 deposited with the CCDC.	2019-06-17 downloaded from the CCDC.
;
_audit_creation_date             2017-10-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        P21/c
_chemical_formula_moiety         'C22 H23 Dy O Sn, 2(C10 H15)'
_chemical_formula_sum            'C42 H53 Dy O Sn'
_chemical_formula_weight         855.03
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C48 H60 Sn1 Dy1'
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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.6271(4)
_cell_length_b                   17.0698(2)
_cell_length_c                   23.3096(8)
_cell_angle_alpha                90
_cell_angle_beta                 132.134(6)
_cell_angle_gamma                90
_cell_volume                     3725.8(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    25991
_cell_measurement_temperature    179.99(10)
_cell_measurement_theta_max      29.1530
_cell_measurement_theta_min      3.4940
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.690
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85435
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.16b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear dark yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1716
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0271
_diffrn_reflns_av_unetI/netI     0.0180
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            46799
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.214
_diffrn_reflns_theta_max         25.993
_diffrn_reflns_theta_min         3.483
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      179.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -22.00  14.00   0.50    1.00    --  -15.70 -82.00 -60.00   72
  2  ω    -57.00  -9.00   0.50    1.00    --  -15.70  77.00 -60.00   96
  3  ω     -2.00  58.00   0.50    1.00    --  -15.70  19.00 -30.00  120
  4  ω    -40.00 -14.00   0.50    1.00    --  -15.70  77.00   0.00   52
  5  ω    -52.00 -21.00   0.50    1.00    --  -15.70  77.00-180.00   62
  6  ω    -48.00  -9.00   0.50    1.00    --  -15.70  77.00-120.00   78
  7  ω    -70.00  50.00   0.50    1.00    --   15.80 -57.00-180.00  240
  8  ω    -34.00  52.00   0.50    1.00    --   15.80 -82.00  90.00  172
  9  ω    -30.00  33.00   0.50    1.00    --   15.80 -82.00  60.00  126
 10  ω     24.00  74.00   0.50    1.00    --   15.80  57.00 -60.00  100
 11  ω     58.00  84.00   0.50    1.00    --   15.80  38.00-120.00   52
 12  ω    -38.00  38.00   0.50    1.00    --   15.80  38.00-120.00  152
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0469765000
_diffrn_orient_matrix_UB_12      -0.0212467000
_diffrn_orient_matrix_UB_13      -0.0010665000
_diffrn_orient_matrix_UB_21      0.0501591000
_diffrn_orient_matrix_UB_22      -0.0027090000
_diffrn_orient_matrix_UB_23      0.0409032000
_diffrn_orient_matrix_UB_31      -0.0318969000
_diffrn_orient_matrix_UB_32      -0.0356244000
_diffrn_orient_matrix_UB_33      -0.0025440000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6687
_reflns_number_total             7326
_reflns_odcompleteness_completeness 99.73
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_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       'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         1.151
_refine_diff_density_min         -0.767
_refine_diff_density_rms         0.065
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         7326
_refine_ls_number_restraints     324
_refine_ls_R_factor_all          0.0230
_refine_ls_R_factor_gt           0.0199
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0190P)²+4.2670P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0473
_refine_ls_wR_factor_ref         0.0487
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C1-C2 \\sim C2-C3
 with sigma of 0.02
 C2-C3 \\sim C3-C4
 with sigma of 0.02
 C3-C4 \\sim C4-C5
 with sigma of 0.02
 C4-C5 \\sim C5-C1
 with sigma of 0.02
 C5-C1 \\sim C1-C2
 with sigma of 0.02
 C6-C7 \\sim C7-C8
 with sigma of 0.02
 C7-C8 \\sim C8-C9
 with sigma of 0.02
 C8-C9 \\sim C9-C10
 with sigma of 0.02
 C9-C10 \\sim C10-C6
 with sigma of 0.02
 C10-C6 \\sim C6-C7
 with sigma of 0.02
 C21-C22 \\sim C22-C23
 with sigma of 0.02
 C22-C23 \\sim C23-C24
 with sigma of 0.02
 C23-C24 \\sim C24-C25
 with sigma of 0.02
 C24-C25 \\sim C25-C26
 with sigma of 0.02
 C25-C26 \\sim C26-C21
 with sigma of 0.02
 C26-C21 \\sim C21-C22
 with sigma of 0.02
 C27-C28 \\sim C28-C29
 with sigma of 0.02
 C28-C29 \\sim C29-C30
 with sigma of 0.02
 C29-C30 \\sim C30-C31
 with sigma of 0.02
 C30-C31 \\sim C31-C32
 with sigma of 0.02
 C31-C32 \\sim C32-C27
 with sigma of 0.02
 C32-C27 \\sim C27-C28
 with sigma of 0.02
 C33-C34 \\sim C34-C35
 with sigma of 0.02
 C34-C35 \\sim C35-C36
 with sigma of 0.02
 C35-C36 \\sim C36-C37
 with sigma of 0.02
 C36-C37 \\sim C37-C38
 with sigma of 0.02
 C37-C38 \\sim C38-C33
 with sigma of 0.02
 C38-C33 \\sim C33-C34
 with sigma of 0.02
3. Restrained planarity
 C13, C3, C4, C5, C1, C2, C12, C11, C15, C14
 with sigma of 0.1
 C10, C9, C8, C7, C6, C16, C20, C19, C18, C17
 with sigma of 0.1
 C21, C26, C25, C24, C23, C22
 with sigma of 0.1
 C33, C34, C35, C36, C37, C38
 with sigma of 0.1
 C27, C28, C29, C30, C31, C32
 with sigma of 0.1
4. Rigid bond restraints
 C9, C10, C6, C7, C8
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C3, C4, C5, C1, C2
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C27, C28, C29, C30, C31, C32
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C21, C26, C25, C24, C23, C22
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C34, C33, C38, C37, C36, C35
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
C1 \\sim C5 \\sim C4 \\sim C3 \\sim C2: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08
C6 \\sim C10 \\sim C9 \\sim C8 \\sim C7: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08
C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08
C22 \\sim C23 \\sim C24 \\sim C25 \\sim C26 \\sim C21: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08
C33 \\sim C38 \\sim C37 \\sim C36 \\sim C35 \\sim C34: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08
Uanis(C40) \\sim Ueq, Uanis(C41) \\sim Ueq: with sigma of 0.015 and sigma for
terminal atoms of 0.015
Uanis(C41) \\sim Ueq, Uanis(C40) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C40) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
6.a Secondary CH2 refined with riding coordinates:
 C42(H42A,H42B), C39(H39A,H39B), C40(H40A,H40B), C41(H41A,H41B)
6.b Aromatic/amide H refined with riding coordinates:
 C35(H35), C26(H26), C22(H22), C30(H30), C36(H36), C25(H25), C34(H34),
 C32(H32), C24(H24), C29(H29), C38(H38), C31(H31), C37(H37), C28(H28), C23(H23)
6.c Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C11(H11A,H11B,H11C), C14(H14A,H14B,H14C), C12(H12A,H12B,
 H12C), C19(H19A,H19B,H19C), C13(H13A,H13B,H13C), C18(H18A,H18B,H18C), C16(H16A,
 H16B,H16C), C17(H17A,H17B,H17C), C20(H20A,H20B,H20C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.22390(2) 0.75217(2) 0.29916(2) 0.02155(4) Uani 1 1 d . . . . .
Sn1 Sn 0.38447(2) 0.68476(2) 0.24477(2) 0.02490(5) Uani 1 1 d . . . . .
O1 O 0.3011(2) 0.88139(10) 0.30680(12) 0.0371(4) Uani 1 1 d . . . . .
C35 C 0.8587(3) 0.6998(2) 0.40847(16) 0.0435(7) Uani 1 1 d D U . . .
H35 H 0.9238 0.7423 0.4293 0.052 Uiso 1 1 calc R . . . .
C2 C -0.0200(3) 0.68160(14) 0.18444(14) 0.0292(5) Uani 1 1 d D U . . .
C21 C 0.4007(3) 0.75907(14) 0.17346(15) 0.0296(5) Uani 1 1 d D U . . .
C26 C 0.3256(3) 0.82864(15) 0.13889(15) 0.0346(6) Uani 1 1 d D U . . .
H26 H 0.2563 0.8431 0.1415 0.041 Uiso 1 1 calc R . . . .
C1 C 0.0032(3) 0.73415(14) 0.14683(14) 0.0271(5) Uani 1 1 d D U . . .
C5 C -0.0124(3) 0.81152(14) 0.16210(15) 0.0285(5) Uani 1 1 d D U . . .
C27 C 0.3003(3) 0.57629(15) 0.17638(15) 0.0313(6) Uani 1 1 d D U . . .
C3 C -0.0537(3) 0.72642(15) 0.22160(15) 0.0307(5) Uani 1 1 d D U . . .
C8 C 0.2814(3) 0.66011(15) 0.40916(14) 0.0306(6) Uani 1 1 d D U . . .
C22 C 0.4992(3) 0.74043(16) 0.16640(16) 0.0362(6) Uani 1 1 d D U . . .
H22 H 0.5512 0.6928 0.1881 0.043 Uiso 1 1 calc R . . . .
C30 C 0.1922(4) 0.4367(2) 0.0911(2) 0.0606(9) Uani 1 1 d D U . . .
H30 H 0.1564 0.3894 0.0622 0.073 Uiso 1 1 calc R . . . .
C4 C -0.0444(3) 0.80675(15) 0.21015(15) 0.0308(6) Uani 1 1 d D U . . .
C36 C 0.9088(3) 0.6240(2) 0.42786(17) 0.0505(8) Uani 1 1 d D U . . .
H36 H 1.0084 0.6139 0.4622 0.061 Uiso 1 1 calc R . . . .
C7 C 0.4053(3) 0.65608(17) 0.41971(15) 0.0354(6) Uani 1 1 d D U . . .
C25 C 0.3486(3) 0.87769(16) 0.10070(16) 0.0405(7) Uani 1 1 d D U . . .
H25 H 0.2951 0.9247 0.0776 0.049 Uiso 1 1 calc R . . . .
C33 C 0.6131(3) 0.65427(15) 0.32629(14) 0.0291(5) Uani 1 1 d D U . . .
C9 C 0.2718(3) 0.73698(15) 0.42803(15) 0.0313(6) Uani 1 1 d D U . . .
C34 C 0.7134(3) 0.71427(17) 0.35873(15) 0.0355(6) Uani 1 1 d D U . . .
H34 H 0.6810 0.7670 0.3463 0.043 Uiso 1 1 calc R . . . .
C32 C 0.3055(3) 0.50588(16) 0.20827(17) 0.0402(7) Uani 1 1 d D U . . .
H32 H 0.3462 0.5054 0.2604 0.048 Uiso 1 1 calc R . . . .
C24 C 0.4487(3) 0.85847(17) 0.09620(16) 0.0419(7) Uani 1 1 d D U . . .
H24 H 0.4660 0.8925 0.0710 0.050 Uiso 1 1 calc R . . . .
C10 C 0.3909(3) 0.77949(17) 0.45114(15) 0.0381(6) Uani 1 1 d D U . . .
C29 C 0.1825(4) 0.5056(2) 0.05697(19) 0.0596(9) Uani 1 1 d D U . . .
H29 H 0.1386 0.5059 0.0043 0.071 Uiso 1 1 calc R . . . .
C38 C 0.6663(3) 0.57829(17) 0.34640(18) 0.0425(7) Uani 1 1 d D U . . .
H38 H 0.6015 0.5356 0.3253 0.051 Uiso 1 1 calc R . . . .
C31 C 0.2535(4) 0.43648(18) 0.1668(2) 0.0522(8) Uani 1 1 d D U . . .
H31 H 0.2602 0.3892 0.1905 0.063 Uiso 1 1 calc R . . . .
C37 C 0.8129(3) 0.5632(2) 0.3969(2) 0.0534(8) Uani 1 1 d D U . . .
H37 H 0.8465 0.5107 0.4099 0.064 Uiso 1 1 calc R . . . .
C28 C 0.2371(3) 0.57478(18) 0.09972(16) 0.0424(7) Uani 1 1 d D U . . .
H28 H 0.2309 0.6218 0.0758 0.051 Uiso 1 1 calc R . . . .
C6 C 0.4734(3) 0.72981(19) 0.44584(15) 0.0397(7) Uani 1 1 d D U . . .
C23 C 0.5238(3) 0.78924(19) 0.12876(16) 0.0417(7) Uani 1 1 d D U . . .
H23 H 0.5922 0.7750 0.1254 0.050 Uiso 1 1 calc R . . . .
C42 C 0.4280(3) 0.90134(17) 0.3196(2) 0.0473(8) Uani 1 1 d . . . . .
H42A H 0.5090 0.8669 0.3596 0.057 Uiso 1 1 calc R . . . .
H42B H 0.4092 0.8956 0.2712 0.057 Uiso 1 1 calc R . . . .
C39 C 0.2430(4) 0.95343(17) 0.3092(2) 0.0529(9) Uani 1 1 d . . . . .
H39A H 0.2438 0.9519 0.3519 0.063 Uiso 1 1 calc R . . . .
H39B H 0.1436 0.9614 0.2598 0.063 Uiso 1 1 calc R . . . .
C15 C -0.0166(3) 0.88340(16) 0.12335(18) 0.0421(7) Uani 1 1 d . . . . .
H15A H 0.0805 0.8967 0.1464 0.063 Uiso 1 1 calc GR . . . .
H15B H -0.0572 0.9272 0.1304 0.063 Uiso 1 1 calc GR . . . .
H15C H -0.0759 0.8731 0.0680 0.063 Uiso 1 1 calc GR . . . .
C11 C 0.0084(3) 0.71198(18) 0.08648(15) 0.0364(6) Uani 1 1 d . . . . .
H11A H 0.0411 0.6577 0.0947 0.055 Uiso 1 1 calc GR . . . .
H11B H 0.0746 0.7468 0.0903 0.055 Uiso 1 1 calc GR . . . .
H11C H -0.0872 0.7170 0.0350 0.055 Uiso 1 1 calc GR . . . .
C14 C -0.0895(3) 0.87341(17) 0.23250(19) 0.0428(7) Uani 1 1 d . . . . .
H14A H -0.0227 0.8775 0.2890 0.064 Uiso 1 1 calc GR . . . .
H14B H -0.1859 0.8634 0.2121 0.064 Uiso 1 1 calc GR . . . .
H14C H -0.0890 0.9225 0.2109 0.064 Uiso 1 1 calc GR . . . .
C12 C -0.0298(3) 0.59376(16) 0.17514(18) 0.0430(7) Uani 1 1 d . . . . .
H12A H -0.1199 0.5798 0.1236 0.064 Uiso 1 1 calc GR . . . .
H12B H -0.0262 0.5697 0.2146 0.064 Uiso 1 1 calc GR . . . .
H12C H 0.0504 0.5747 0.1812 0.064 Uiso 1 1 calc GR . . . .
C19 C 0.1727(4) 0.7653(2) 0.4388(2) 0.0488(8) Uani 1 1 d . . . . .
H19A H 0.0977 0.7263 0.4180 0.073 Uiso 1 1 calc GR . . . .
H19B H 0.1291 0.8150 0.4113 0.073 Uiso 1 1 calc GR . . . .
H19C H 0.2270 0.7730 0.4940 0.073 Uiso 1 1 calc GR . . . .
C13 C -0.1137(3) 0.69509(19) 0.25493(18) 0.0450(7) Uani 1 1 d . . . . .
H13A H -0.2172 0.6883 0.2135 0.067 Uiso 1 1 calc GR . . . .
H13B H -0.0937 0.7320 0.2934 0.067 Uiso 1 1 calc GR . . . .
H13C H -0.0694 0.6444 0.2797 0.067 Uiso 1 1 calc GR . . . .
C18 C 0.1953(3) 0.58965(17) 0.39550(18) 0.0450(7) Uani 1 1 d . . . . .
H18A H 0.1528 0.5654 0.3460 0.068 Uiso 1 1 calc GR . . . .
H18B H 0.1193 0.6059 0.3943 0.068 Uiso 1 1 calc GR . . . .
H18C H 0.2576 0.5517 0.4374 0.068 Uiso 1 1 calc GR . . . .
C16 C 0.6205(3) 0.7478(3) 0.4766(2) 0.0681(12) Uani 1 1 d . . . . .
H16A H 0.6918 0.7354 0.5319 0.102 Uiso 1 1 calc GR . . . .
H16B H 0.6266 0.8035 0.4689 0.102 Uiso 1 1 calc GR . . . .
H16C H 0.6387 0.7161 0.4489 0.102 Uiso 1 1 calc GR . . . .
C17 C 0.4647(4) 0.5815(2) 0.4165(2) 0.0614(10) Uani 1 1 d . . . . .
H17A H 0.5143 0.5521 0.4646 0.092 Uiso 1 1 calc GR . . . .
H17B H 0.5320 0.5942 0.4101 0.092 Uiso 1 1 calc GR . . . .
H17C H 0.3866 0.5497 0.3726 0.092 Uiso 1 1 calc GR . . . .
C20 C 0.4343(5) 0.8592(2) 0.4881(2) 0.0706(12) Uani 1 1 d . . . . .
H20A H 0.3488 0.8906 0.4647 0.106 Uiso 1 1 calc GR . . . .
H20B H 0.4924 0.8854 0.4800 0.106 Uiso 1 1 calc GR . . . .
H20C H 0.4900 0.8537 0.5437 0.106 Uiso 1 1 calc GR . . . .
C40 C 0.3363(5) 1.0164(2) 0.3218(4) 0.0984(17) Uani 1 1 d . U . . .
H40A H 0.2873 1.0465 0.2735 0.118 Uiso 1 1 calc R . . . .
H40B H 0.3609 1.0528 0.3623 0.118 Uiso 1 1 calc R . . . .
C41 C 0.4594(6) 0.9814(3) 0.3449(4) 0.1120(19) Uani 1 1 d . U . . .
H41A H 0.5367 0.9837 0.4020 0.134 Uiso 1 1 calc R . . . .
H41B H 0.4919 1.0096 0.3220 0.134 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Sn1 3.2390(2) . ?
Dy1 O1 2.3697(17) . ?
Sn1 C21 2.207(3) . ?
Sn1 C27 2.197(3) . ?
Sn1 C33 2.203(2) . ?
O1 C42 1.460(3) . ?
O1 C39 1.452(3) . ?
C35 C36 1.376(4) . ?
C35 C34 1.384(4) . ?
C2 C1 1.416(4) . ?
C2 C3 1.418(4) . ?
C2 C12 1.508(4) . ?
C21 C26 1.390(3) . ?
C21 C22 1.397(4) . ?
C26 C25 1.387(4) . ?
C1 C5 1.415(3) . ?
C1 C11 1.500(4) . ?
C5 C4 1.426(3) . ?
C5 C15 1.503(4) . ?
C27 C32 1.391(4) . ?
C27 C28 1.385(4) . ?
C3 C4 1.417(4) . ?
C3 C13 1.501(4) . ?
C8 C7 1.412(4) . ?
C8 C9 1.415(4) . ?
C8 C18 1.506(4) . ?
C22 C23 1.387(4) . ?
C30 C29 1.378(5) . ?
C30 C31 1.371(5) . ?
C4 C14 1.513(4) . ?
C36 C37 1.376(5) . ?
C7 C6 1.411(4) . ?
C7 C17 1.505(4) . ?
C25 C24 1.376(4) . ?
C33 C34 1.393(4) . ?
C33 C38 1.389(4) . ?
C9 C10 1.412(4) . ?
C9 C19 1.511(4) . ?
C32 C31 1.385(4) . ?
C24 C23 1.380(4) . ?
C10 C6 1.411(4) . ?
C10 C20 1.504(4) . ?
C29 C28 1.393(4) . ?
C38 C37 1.398(4) . ?
C6 C16 1.507(4) . ?
C42 C41 1.435(5) . ?
C39 C40 1.472(5) . ?
C40 C41 1.393(6) . ?

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 Sn1 91.49(4) . . ?
C21 Sn1 Dy1 119.30(6) . . ?
C27 Sn1 Dy1 117.27(7) . . ?
C27 Sn1 C21 100.49(9) . . ?
C27 Sn1 C33 98.21(9) . . ?
C33 Sn1 Dy1 123.25(6) . . ?
C33 Sn1 C21 93.18(9) . . ?
C42 O1 Dy1 124.92(16) . . ?
C39 O1 Dy1 126.74(17) . . ?
C39 O1 C42 107.9(2) . . ?
C36 C35 C34 120.1(3) . . ?
C1 C2 C3 107.9(2) . . ?
C1 C2 C12 124.9(2) . . ?
C3 C2 C12 126.5(2) . . ?
C26 C21 Sn1 123.8(2) . . ?
C26 C21 C22 116.2(2) . . ?
C22 C21 Sn1 119.86(18) . . ?
C25 C26 C21 122.2(3) . . ?
C2 C1 C11 125.3(2) . . ?
C5 C1 C2 108.3(2) . . ?
C5 C1 C11 124.9(2) . . ?
C1 C5 C4 107.7(2) . . ?
C1 C5 C15 124.4(2) . . ?
C4 C5 C15 127.2(2) . . ?
C32 C27 Sn1 120.94(19) . . ?
C28 C27 Sn1 122.1(2) . . ?
C28 C27 C32 116.9(2) . . ?
C2 C3 C13 125.9(2) . . ?
C4 C3 C2 108.1(2) . . ?
C4 C3 C13 125.2(2) . . ?
C7 C8 C9 107.9(2) . . ?
C7 C8 C18 123.8(3) . . ?
C9 C8 C18 127.3(2) . . ?
C23 C22 C21 122.2(3) . . ?
C31 C30 C29 120.0(3) . . ?
C5 C4 C14 126.7(2) . . ?
C3 C4 C5 107.8(2) . . ?
C3 C4 C14 124.4(2) . . ?
C37 C36 C35 119.2(3) . . ?
C8 C7 C17 124.3(3) . . ?
C6 C7 C8 108.3(2) . . ?
C6 C7 C17 126.5(3) . . ?
C24 C25 C26 120.2(3) . . ?
C34 C33 Sn1 118.87(19) . . ?
C38 C33 Sn1 124.7(2) . . ?
C38 C33 C34 116.4(2) . . ?
C8 C9 C19 127.0(3) . . ?
C10 C9 C8 107.7(2) . . ?
C10 C9 C19 124.1(3) . . ?
C35 C34 C33 122.4(3) . . ?
C31 C32 C27 122.4(3) . . ?
C25 C24 C23 119.3(3) . . ?
C9 C10 C20 124.7(3) . . ?
C6 C10 C9 108.5(2) . . ?
C6 C10 C20 126.0(3) . . ?
C30 C29 C28 120.0(3) . . ?
C33 C38 C37 121.6(3) . . ?
C30 C31 C32 119.3(3) . . ?
C36 C37 C38 120.3(3) . . ?
C27 C28 C29 121.3(3) . . ?
C7 C6 C16 125.9(3) . . ?
C10 C6 C7 107.6(2) . . ?
C10 C6 C16 125.6(3) . . ?
C24 C23 C22 120.0(3) . . ?
C41 C42 O1 105.6(3) . . ?
O1 C39 C40 105.6(3) . . ?
C41 C40 C39 107.4(3) . . ?
C40 C41 C42 108.7(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.345
_oxdiff_exptl_absorpt_empirical_full_min 0.808
