#------------------------------------------------------------------------------
#$Date: 2022-01-06 22:13:07 +0100 (jue 06 de ene de 2022) $
#$Revision: 271830 $
#$URL: svn://www.crystallography.net/cod/cif/7/24/38/7243883.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7243883
loop_
_publ_author_name
'Long, Jérôme'
'Tolpygin, Aleksei O.'
'Cherkasov, Anton V.'
'Nelyubina, Yulia V.'
'Guari, Yannick'
'Larionova, Joulia'
'Trifonov, Alexander A.'
_publ_section_title
;
 Tuning the coordination sphere of octahedral Dy(iii) complexes with
 silanolate/stannanolate ligands: synthesis, structures and slow
 relaxation of the magnetization
;
_journal_issue                   47
_journal_name_full               CrystEngComm
_journal_page_first              8351
_journal_page_last               8359
_journal_paper_doi               10.1039/D1CE01266E
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C66 H69 Dy O6 Si3, C4 H8 O'
_chemical_formula_sum            'C70 H77 Dy O7 Si3'
_chemical_formula_weight         1277.08
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-09-17
_audit_creation_method
;
Olex2 1.3
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_audit_update_record
;
2021-09-17 deposited with the CCDC.	2021-11-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.635(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.334(2)
_cell_length_b                   16.468(2)
_cell_length_c                   14.540(2)
_cell_measurement_reflns_used    2933
_cell_measurement_temperature    120
_cell_measurement_theta_max      27.95
_cell_measurement_theta_min      2.47
_cell_volume                     3144.3(7)
_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)'
_diffrn_ambient_temperature      120
_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_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_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_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_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.349
_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
_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_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_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0914
_refine_ls_R_factor_gt           0.0564
_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
_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_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce01266e2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7243882--7243885.cif.'
_cod_original_cell_volume        3144.3(8)
_cod_database_code               7243883
_shelxl_version_number           2014/6
_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.
;
_shelx_estimated_absorpt_t_max   0.881
_shelx_estimated_absorpt_t_min   0.881
_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)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
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 . . .
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'
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_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_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) . . . . ?
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.983(15)
2 0.017(15)
