# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_ad61
_database_code_depnum_ccdc_archive 'CCDC 2007133'
loop_
_audit_author_name
_audit_author_address
'rosario scopelliti'
;epfl
Switzerland
;
_audit_update_record             
;
2020-06-02 deposited with the CCDC.	2020-07-01 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT973_ad61                
;
PROBLEM: Check Calcd Positive Resid. Density on       Yb1       1.81 eA-3  
RESPONSE: This residual at metal location could be explained by absorption
effects.
;
# end Validation Reply Form

_audit_creation_date             2020-05-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C118 H214 N2 O28 Si16 Yb2'
_chemical_formula_sum            'C118 H214 N2 O28 Si16 Yb2'
_chemical_formula_weight         2904.42
_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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.342(2)
_cell_length_b                   23.291(3)
_cell_length_c                   24.187(4)
_cell_angle_alpha                113.031(9)
_cell_angle_beta                 90.664(14)
_cell_angle_gamma                100.204(10)
_cell_volume                     8305(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    364
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      3
_cell_measurement_theta_min      22
_shelx_estimated_absorpt_T_max   0.820
_shelx_estimated_absorpt_T_min   0.747
_exptl_absorpt_coefficient_mu    1.291
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4989
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1020 before and 0.0858 after correction.
The Ratio of minimum to maximum transmission is 0.6691.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.162
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3048
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.16
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0738
_diffrn_reflns_av_unetI/netI     0.0924
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            107079
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         1.271
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.969
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                25240
_reflns_number_total             36962
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs, 1990-2000)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.781
_refine_diff_density_min         -1.573
_refine_diff_density_rms         0.157
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1556
_refine_ls_number_reflns         36962
_refine_ls_number_restraints     223
_refine_ls_R_factor_all          0.1028
_refine_ls_R_factor_gt           0.0643
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0642P)²+51.6927P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1533
_refine_ls_wR_factor_ref         0.1771
_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
 C44-C43 \\sim C44-C45 \\sim C45-C46 \\sim C46-C47 \\sim C47-C48 \\sim C48-C43
\\sim C42-C37 \\sim C41-C42
 \\sim C40-C41 \\sim C39-C40 \\sim C38-C39 \\sim C38-C37
 with sigma of 0.02
 Si5-C37 \\sim Si5-C43
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41 \\sim C42 \\sim C43 \\sim C44 \\sim
C45 \\sim C46 \\sim C47 \\sim C48: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
4. Others
 Sof(C43)=Sof(H43)=Sof(C44)=Sof(H44A)=Sof(H44B)=Sof(C45)=Sof(H45A)=Sof(H45B)=
 Sof(C46)=Sof(H46A)=Sof(H46B)=Sof(C47)=Sof(H47A)=Sof(H47B)=Sof(C48)=Sof(H48A)=
 Sof(H48B)=1-FVAR(1)
 Sof(C37)=Sof(H37)=Sof(C38)=Sof(H38A)=Sof(H38B)=Sof(C39)=Sof(H39A)=Sof(H39B)=
 Sof(C40)=Sof(H40A)=Sof(H40B)=Sof(C41)=Sof(H41A)=Sof(H41B)=Sof(C42)=Sof(H42A)=
 Sof(H42B)=FVAR(1)
5.a Ternary CH refined with riding coordinates:
 C13(H13), C19(H19), C25(H25), C31(H31), C37(H37), C43(H43), C52(H52),
 C58(H58), C72(H72), C78(H78), C84(H84), C90(H90), C96(H96), C105(H105),
 C111(H111)
5.b Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C18(H18A,
 H18B), C20(H20A,H20B), C21(H21A,H21B), C22(H22A,H22B), C23(H23A,H23B),
 C24(H24A,H24B), C26(H26A,H26B), C27(H27A,H27B), C28(H28A,H28B), C29(H29A,H29B),
  C30(H30A,H30B), C32(H32A,H32B), C33(H33A,H33B), C34(H34A,H34B), C35(H35A,
 H35B), C36(H36A,H36B), C38(H38A,H38B), C39(H39A,H39B), C40(H40A,H40B),
 C41(H41A,H41B), C42(H42A,H42B), C44(H44A,H44B), C45(H45A,H45B), C46(H46A,H46B),
  C47(H47A,H47B), C48(H48A,H48B), C53(H53A,H53B), C54(H54A,H54B), C55(H55A,
 H55B), C56(H56A,H56B), C57(H57A,H57B), C59(H59A,H59B), C60(H60A,H60B),
 C61(H61A,H61B), C62(H62A,H62B), C63(H63A,H63B), C64(H64A,H64B), C65(H65A,H65B),
  C66(H66A,H66B), C67(H67A,H67B), C68(H68A,H68B), C69(H69A,H69B), C70(H70A,
 H70B), C71(H71A,H71B), C73(H73A,H73B), C74(H74A,H74B), C75(H75A,H75B),
 C76(H76A,H76B), C77(H77A,H77B), C79(H79A,H79B), C80(H80A,H80B), C81(H81A,H81B),
  C82(H82A,H82B), C83(H83A,H83B), C85(H85A,H85B), C86(H86A,H86B), C87(H87A,
 H87B), C88(H88A,H88B), C89(H89A,H89B), C91(H91A,H91B), C92(H92A,H92B),
 C93(H93A,H93B), C94(H94A,H94B), C95(H95A,H95B), C97(H97A,H97B), C98(H98A,H98B),
  C99(H99A,H99B), C100(H10A,H10B), C101(H10C,H10D), C106(H10N,H10O), C107(H10P,
 H10Q), C108(H10R,H10S), C109(H10T,H10U), C110(H11A,H11B), C112(H11C,H11D),
 C113(H11E,H11F), C114(H11G,H11H), C115(H11I,H11J), C116(H11K,H11L), C117(H11M,
 H11N), C118(H11O,H11P), C119(H11Q,H11R), C120(H12A,H12B), C121(H12C,H12D),
 C122(H12E,H12F), C123(H12G,H12H), C124(H12I,H12J)
5.c 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)
5.d Idealised Me refined as rotating group:
 C49(H49A,H49B,H49C), C50(H50A,H50B,H50C), C51(H51A,H51B,H51C), C102(H10E,H10F,
 H10G), C103(H10H,H10I,H10J), C104(H10K,H10L,H10M)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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
Yb1 Yb 0.77320(2) 0.22865(2) 0.22572(2) 0.01707(7) Uani 1 1 d . . . . .
Yb2 Yb 0.80833(2) 0.06419(2) 0.18080(2) 0.01835(7) Uani 1 1 d . . . . .
Si1 Si 0.57158(11) 0.25214(8) 0.19103(8) 0.0183(3) Uani 1 1 d . . . . .
Si2 Si 0.63527(12) 0.32180(8) 0.10867(8) 0.0200(4) Uani 1 1 d . . . . .
Si3 Si 0.56731(12) 0.44181(9) 0.18683(8) 0.0236(4) Uani 1 1 d . . . . .
Si4 Si 0.74037(12) 0.49831(9) 0.26225(8) 0.0241(4) Uani 1 1 d . . . . .
Si5 Si 0.65228(13) 0.50278(9) 0.37422(8) 0.0262(4) Uani 1 1 d D . . . .
Si6 Si 0.79233(16) 0.53823(10) 0.47640(10) 0.0381(5) Uani 1 1 d . . . . .
Si7 Si 0.52897(12) 0.38583(9) 0.28160(8) 0.0216(4) Uani 1 1 d . . . . .
Si8 Si 0.80099(12) 0.37189(8) 0.19390(8) 0.0212(4) Uani 1 1 d . . . . .
Si9 Si 0.72467(11) 0.11925(8) 0.30565(8) 0.0180(3) Uani 1 1 d . . . . .
Si10 Si 0.86525(11) 0.12180(8) 0.39929(8) 0.0186(4) Uani 1 1 d . . . . .
Si11 Si 0.76799(11) -0.00854(8) 0.39337(8) 0.0196(4) Uani 1 1 d . . . . .
Si12 Si 0.88645(12) -0.08091(9) 0.30430(8) 0.0210(4) Uani 1 1 d . . . . .
Si13 Si 0.72880(12) -0.14864(9) 0.21846(8) 0.0207(4) Uani 1 1 d . . . . .
Si14 Si 0.74218(13) -0.25003(9) 0.08737(9) 0.0300(4) Uani 1 1 d . . . . .
Si15 Si 0.66064(11) -0.02414(8) 0.27839(8) 0.0193(4) Uani 1 1 d . . . . .
Si16 Si 0.95313(11) 0.05036(8) 0.28986(8) 0.0194(4) Uani 1 1 d . . . . .
O1 O 0.6427(3) 0.2242(2) 0.21184(19) 0.0193(9) Uani 1 1 d . . . . .
O2 O 0.5943(3) 0.2671(2) 0.1313(2) 0.0221(10) Uani 1 1 d . . . . .
O3 O 0.5603(3) 0.3197(2) 0.2448(2) 0.0244(10) Uani 1 1 d . . . . .
O4 O 0.7316(3) 0.3507(2) 0.1361(2) 0.0243(10) Uani 1 1 d . . . . .
O5 O 0.5812(3) 0.3781(2) 0.1307(2) 0.0261(10) Uani 1 1 d . . . . .
O6 O 0.5189(3) 0.4215(2) 0.2371(2) 0.0283(11) Uani 1 1 d . . . . .
O7 O 0.6589(3) 0.4860(2) 0.2174(2) 0.0288(11) Uani 1 1 d . . . . .
O8 O 0.7701(3) 0.4316(2) 0.2494(2) 0.0256(10) Uani 1 1 d . . . . .
O9 O 0.7155(3) 0.5254(2) 0.3323(2) 0.0313(11) Uani 1 1 d . . . . .
O10 O 0.7073(3) 0.5026(2) 0.4303(2) 0.0358(12) Uani 1 1 d . . . . .
O11 O 0.6006(3) 0.4306(2) 0.3359(2) 0.0220(9) Uani 1 1 d . . . . .
O12 O 0.8056(3) 0.3150(2) 0.2135(2) 0.0267(10) Uani 1 1 d . . . . .
O13 O 0.7608(3) 0.2898(2) 0.33011(19) 0.0266(10) Uani 1 1 d . . . . .
O14 O 0.9135(3) 0.2554(2) 0.2716(2) 0.0266(10) Uani 1 1 d . . . . .
O15 O 0.7622(3) 0.1442(2) 0.25562(19) 0.0219(10) Uani 1 1 d . . . . .
O16 O 0.7944(3) 0.1379(2) 0.36246(19) 0.0219(10) Uani 1 1 d . . . . .
O17 O 0.7009(3) 0.0402(2) 0.26826(19) 0.0210(9) Uani 1 1 d . . . . .
O18 O 0.9414(3) 0.1029(2) 0.35762(19) 0.0245(10) Uani 1 1 d . . . . .
O19 O 0.8235(3) 0.0630(2) 0.41687(19) 0.0232(10) Uani 1 1 d . . . . .
O20 O 0.6917(3) -0.0151(2) 0.34588(19) 0.0235(10) Uani 1 1 d . . . . .
O21 O 0.8258(3) -0.0604(2) 0.3590(2) 0.0240(10) Uani 1 1 d . . . . .
O22 O 0.9328(3) -0.0198(2) 0.2929(2) 0.0233(10) Uani 1 1 d . . . . .
O23 O 0.8268(3) -0.1303(2) 0.2437(2) 0.0236(10) Uani 1 1 d . . . . .
O24 O 0.6961(3) -0.0830(2) 0.22745(19) 0.0218(9) Uani 1 1 d . . . . .
O25 O 0.7195(3) -0.1909(2) 0.1465(2) 0.0249(10) Uani 1 1 d . . . . .
O26 O 0.8920(3) 0.0525(2) 0.23904(19) 0.0228(10) Uani 1 1 d . . . . .
O27 O 0.8618(3) -0.0227(2) 0.1078(2) 0.0272(11) Uani 1 1 d . . . . .
O28 O 0.6847(3) 0.0020(2) 0.1244(2) 0.0234(10) Uani 1 1 d . . . . .
N1 N 0.8016(3) 0.1485(2) 0.1377(2) 0.0192(11) Uani 1 1 d . . . . .
N2 N 0.8767(3) 0.1273(2) 0.1448(2) 0.0203(11) Uani 1 1 d . . . . .
C1 C 0.7689(4) 0.1283(3) 0.0770(3) 0.0215(13) Uani 1 1 d . . . . .
C2 C 0.8046(5) 0.0916(3) 0.0271(3) 0.0302(16) Uani 1 1 d . . . . .
H2 H 0.856818 0.081037 0.032486 0.036 Uiso 1 1 calc R U . . .
C3 C 0.7655(6) 0.0698(4) -0.0311(3) 0.047(2) Uani 1 1 d . . . . .
H3 H 0.790195 0.043329 -0.064518 0.056 Uiso 1 1 calc R U . . .
C4 C 0.6902(6) 0.0867(4) -0.0406(4) 0.047(2) Uani 1 1 d . . . . .
H4 H 0.663554 0.071799 -0.080184 0.056 Uiso 1 1 calc R U . . .
C5 C 0.6551(5) 0.1256(3) 0.0085(3) 0.0314(16) Uani 1 1 d . . . . .
H5 H 0.604531 0.138111 0.002664 0.038 Uiso 1 1 calc R U . . .
C6 C 0.6936(4) 0.1463(3) 0.0663(3) 0.0252(14) Uani 1 1 d . . . . .
H6 H 0.668978 0.173169 0.099486 0.030 Uiso 1 1 calc R U . . .
C7 C 0.9526(4) 0.1565(3) 0.1340(3) 0.0229(14) Uani 1 1 d . . . . .
C8 C 1.0249(4) 0.1362(4) 0.1455(3) 0.0315(16) Uani 1 1 d . . . . .
H8 H 1.019920 0.103183 0.159812 0.038 Uiso 1 1 calc R U . . .
C9 C 1.1021(5) 0.1632(4) 0.1364(4) 0.045(2) Uani 1 1 d . . . . .
H9 H 1.149919 0.149350 0.145322 0.054 Uiso 1 1 calc R U . . .
C10 C 1.1120(5) 0.2119(4) 0.1137(5) 0.051(3) Uani 1 1 d . . . . .
H10 H 1.165654 0.230570 0.107370 0.061 Uiso 1 1 calc R U . . .
C11 C 1.0400(5) 0.2313(4) 0.1011(4) 0.043(2) Uani 1 1 d . . . . .
H11 H 1.044739 0.263412 0.085742 0.052 Uiso 1 1 calc R U . . .
C12 C 0.9617(5) 0.2037(3) 0.1109(3) 0.0305(16) Uani 1 1 d . . . . .
H12 H 0.913549 0.217195 0.101753 0.037 Uiso 1 1 calc R U . . .
C13 C 0.4654(4) 0.1990(3) 0.1710(3) 0.0210(13) Uani 1 1 d . . . . .
H13 H 0.437765 0.208969 0.209432 0.025 Uiso 1 1 calc R U . . .
C14 C 0.4093(4) 0.2133(3) 0.1281(3) 0.0229(14) Uani 1 1 d . . . . .
H14A H 0.408265 0.259303 0.145082 0.027 Uiso 1 1 calc R U . . .
H14B H 0.433053 0.202555 0.088630 0.027 Uiso 1 1 calc R U . . .
C15 C 0.3199(4) 0.1749(4) 0.1189(4) 0.0334(17) Uani 1 1 d . . . . .
H15A H 0.293932 0.189446 0.157508 0.040 Uiso 1 1 calc R U . . .
H15B H 0.286622 0.183083 0.089202 0.040 Uiso 1 1 calc R U . . .
C16 C 0.3178(5) 0.1042(4) 0.0967(4) 0.0371(18) Uani 1 1 d . . . . .
H16A H 0.334211 0.088263 0.054921 0.044 Uiso 1 1 calc R U . . .
H16B H 0.260112 0.081927 0.096158 0.044 Uiso 1 1 calc R U . . .
C17 C 0.3759(5) 0.0891(3) 0.1363(4) 0.0359(18) Uani 1 1 d . . . . .
H17A H 0.353979 0.098444 0.176189 0.043 Uiso 1 1 calc R U . . .
H17B H 0.376913 0.043039 0.117745 0.043 Uiso 1 1 calc R U . . .
C18 C 0.4641(5) 0.1266(3) 0.1448(3) 0.0278(15) Uani 1 1 d . . . . .
H18A H 0.488591 0.114010 0.105577 0.033 Uiso 1 1 calc R U . . .
H18B H 0.498659 0.116757 0.172590 0.033 Uiso 1 1 calc R U . . .
C19 C 0.6284(4) 0.2907(3) 0.0250(3) 0.0233(14) Uani 1 1 d . . . . .
H19 H 0.660002 0.255285 0.010263 0.028 Uiso 1 1 calc R U . . .
C20 C 0.5376(5) 0.2638(4) -0.0039(3) 0.0308(16) Uani 1 1 d . . . . .
H20A H 0.513003 0.228138 0.007168 0.037 Uiso 1 1 calc R U . . .
H20B H 0.504076 0.297332 0.012095 0.037 Uiso 1 1 calc R U . . .
C21 C 0.5339(5) 0.2402(4) -0.0727(3) 0.0343(17) Uani 1 1 d . . . . .
H21A H 0.474872 0.225689 -0.089605 0.041 Uiso 1 1 calc R U . . .
H21B H 0.561954 0.203358 -0.088968 0.041 Uiso 1 1 calc R U . . .
C22 C 0.5763(5) 0.2926(4) -0.0926(3) 0.0397(19) Uani 1 1 d . . . . .
H22A H 0.576235 0.274824 -0.137070 0.048 Uiso 1 1 calc R U . . .
H22B H 0.544132 0.327248 -0.080685 0.048 Uiso 1 1 calc R U . . .
C23 C 0.6646(5) 0.3193(4) -0.0644(3) 0.042(2) Uani 1 1 d . . . . .
H23A H 0.688579 0.355097 -0.075429 0.051 Uiso 1 1 calc R U . . .
H23B H 0.698399 0.285999 -0.080705 0.051 Uiso 1 1 calc R U . . .
C24 C 0.6693(5) 0.3425(4) 0.0036(3) 0.0350(18) Uani 1 1 d . . . . .
H24A H 0.641220 0.379298 0.020134 0.042 Uiso 1 1 calc R U . . .
H24B H 0.728588 0.357284 0.019951 0.042 Uiso 1 1 calc R U . . .
C25 C 0.5031(5) 0.4859(3) 0.1607(3) 0.0303(16) Uani 1 1 d . . . . .
H25 H 0.492601 0.522440 0.197207 0.036 Uiso 1 1 calc R U . . .
C26 C 0.4171(6) 0.4445(5) 0.1299(5) 0.061(3) Uani 1 1 d . . . . .
H26A H 0.387363 0.428553 0.158103 0.073 Uiso 1 1 calc R U . . .
H26B H 0.425063 0.407293 0.093825 0.073 Uiso 1 1 calc R U . . .
C27 C 0.3639(6) 0.4838(6) 0.1111(6) 0.079(4) Uani 1 1 d . . . . .
H27A H 0.310147 0.456112 0.089962 0.095 Uiso 1 1 calc R U . . .
H27B H 0.351618 0.518591 0.147648 0.095 Uiso 1 1 calc R U . . .
C28 C 0.4073(7) 0.5114(5) 0.0710(5) 0.061(3) Uani 1 1 d . . . . .
H28A H 0.372479 0.537926 0.061957 0.074 Uiso 1 1 calc R U . . .
H28B H 0.413377 0.476425 0.032411 0.074 Uiso 1 1 calc R U . . .
C29 C 0.4920(6) 0.5514(4) 0.0980(4) 0.050(2) Uani 1 1 d . . . . .
H29A H 0.485814 0.589993 0.133157 0.060 Uiso 1 1 calc R U . . .
H29B H 0.520160 0.564983 0.067824 0.060 Uiso 1 1 calc R U . . .
C30 C 0.5460(5) 0.5138(4) 0.1180(4) 0.0352(18) Uani 1 1 d . . . . .
H30A H 0.558719 0.478733 0.081843 0.042 Uiso 1 1 calc R U . . .
H30B H 0.599573 0.542354 0.138535 0.042 Uiso 1 1 calc R U . . .
C31 C 0.8215(5) 0.5596(3) 0.2519(3) 0.0285(16) Uani 1 1 d . . . . .
H31 H 0.861091 0.536455 0.224642 0.034 Uiso 1 1 calc R U . . .
C32 C 0.7842(6) 0.5973(4) 0.2204(4) 0.048(2) Uani 1 1 d . . . . .
H32A H 0.752131 0.567071 0.181952 0.058 Uiso 1 1 calc R U . . .
H32B H 0.745477 0.621719 0.246499 0.058 Uiso 1 1 calc R U . . .
C33 C 0.8536(7) 0.6432(5) 0.2076(4) 0.056(3) Uani 1 1 d . . . . .
H33A H 0.890461 0.618717 0.179366 0.067 Uiso 1 1 calc R U . . .
H33B H 0.828653 0.667462 0.188555 0.067 Uiso 1 1 calc R U . . .
C34 C 0.9024(7) 0.6871(4) 0.2640(4) 0.053(2) Uani 1 1 d . . . . .
H34A H 0.865632 0.713075 0.290869 0.063 Uiso 1 1 calc R U . . .
H34B H 0.946928 0.716319 0.255192 0.063 Uiso 1 1 calc R U . . .
C35 C 0.9417(7) 0.6541(5) 0.2965(4) 0.055(2) Uani 1 1 d . . . . .
H35A H 0.972393 0.685976 0.334815 0.066 Uiso 1 1 calc R U . . .
H35B H 0.981958 0.630544 0.271373 0.066 Uiso 1 1 calc R U . . .
C36 C 0.8731(6) 0.6073(4) 0.3098(4) 0.047(2) Uani 1 1 d . . . . .
H36A H 0.899410 0.584085 0.329469 0.056 Uiso 1 1 calc R U . . .
H36B H 0.835965 0.631459 0.338017 0.056 Uiso 1 1 calc R U . . .
C37 C 0.5752(12) 0.5566(8) 0.3973(9) 0.033(3) Uani 0.507(8) 1 d D U P A 1
H37 H 0.535313 0.541943 0.360633 0.040 Uiso 0.507(8) 1 calc R U P A 1
C38 C 0.6035(9) 0.6297(6) 0.4155(6) 0.036(3) Uani 0.507(8) 1 d D U P A 1
H38A H 0.645756 0.647813 0.450606 0.043 Uiso 0.507(8) 1 calc R U P A 1
H38B H 0.629315 0.637528 0.381578 0.043 Uiso 0.507(8) 1 calc R U P A 1
C39 C 0.5285(9) 0.6624(7) 0.4313(7) 0.041(3) Uani 0.507(8) 1 d D U P A 1
H39A H 0.491407 0.648798 0.393961 0.049 Uiso 0.507(8) 1 calc R U P A 1
H39B H 0.548928 0.708866 0.445749 0.049 Uiso 0.507(8) 1 calc R U P A 1
C40 C 0.4761(11) 0.6495(6) 0.4791(7) 0.048(3) Uani 0.507(8) 1 d D U P A 1
H40A H 0.427804 0.670938 0.484614 0.057 Uiso 0.507(8) 1 calc R U P A 1
H40B H 0.510360 0.666623 0.518177 0.057 Uiso 0.507(8) 1 calc R U P A 1
C41 C 0.4452(12) 0.5768(6) 0.4580(8) 0.044(3) Uani 0.507(8) 1 d D U P A 1
H41A H 0.406575 0.560461 0.420959 0.052 Uiso 0.507(8) 1 calc R U P A 1
H41B H 0.414680 0.567680 0.489653 0.052 Uiso 0.507(8) 1 calc R U P A 1
C42 C 0.5212(15) 0.5436(13) 0.4452(11) 0.035(3) Uani 0.507(8) 1 d D U P A 1
H42A H 0.500932 0.497129 0.431181 0.042 Uiso 0.507(8) 1 calc R U P A 1
H42B H 0.556939 0.558060 0.483308 0.042 Uiso 0.507(8) 1 calc R U P A 1
C43 C 0.5833(13) 0.5601(10) 0.4092(8) 0.033(3) Uani 0.493(8) 1 d D U P A 2
H43 H 0.620999 0.601753 0.433399 0.040 Uiso 0.493(8) 1 calc R U P A 2
C44 C 0.5345(10) 0.5705(7) 0.3601(6) 0.033(2) Uani 0.493(8) 1 d D U P A 2
H44A H 0.574324 0.584594 0.335303 0.040 Uiso 0.493(8) 1 calc R U P A 2
H44B H 0.498370 0.529729 0.333405 0.040 Uiso 0.493(8) 1 calc R U P A 2
C45 C 0.4804(10) 0.6207(7) 0.3882(7) 0.039(3) Uani 0.493(8) 1 d D U P A 2
H45A H 0.444845 0.623163 0.356166 0.047 Uiso 0.493(8) 1 calc R U P A 2
H45B H 0.516504 0.662984 0.410344 0.047 Uiso 0.493(8) 1 calc R U P A 2
C46 C 0.4251(10) 0.6012(8) 0.4320(6) 0.042(3) Uani 0.493(8) 1 d D U P A 2
H46A H 0.390807 0.633712 0.450794 0.050 Uiso 0.493(8) 1 calc R U P A 2
H46B H 0.386694 0.560272 0.408849 0.050 Uiso 0.493(8) 1 calc R U P A 2
C47 C 0.4763(12) 0.5943(9) 0.4820(7) 0.041(3) Uani 0.493(8) 1 d D U P A 2
H47A H 0.438143 0.582595 0.509105 0.050 Uiso 0.493(8) 1 calc R U P A 2
H47B H 0.513593 0.635474 0.506326 0.050 Uiso 0.493(8) 1 calc R U P A 2
C48 C 0.5288(17) 0.5427(13) 0.4542(12) 0.036(3) Uani 0.493(8) 1 d D U P A 2
H48A H 0.491637 0.500581 0.433158 0.043 Uiso 0.493(8) 1 calc R U P A 2
H48B H 0.564647 0.540498 0.486350 0.043 Uiso 0.493(8) 1 calc R U P A 2
C49 C 0.8065(6) 0.6258(4) 0.4997(4) 0.045(2) Uani 1 1 d . . . . .
H49A H 0.818331 0.636236 0.464707 0.068 Uiso 1 1 calc R U . . .
H49B H 0.853209 0.647298 0.530936 0.068 Uiso 1 1 calc R U . . .
H49C H 0.755385 0.639911 0.515640 0.068 Uiso 1 1 calc R U . . .
C50 C 0.7764(9) 0.5182(4) 0.5431(4) 0.074(4) Uani 1 1 d . . . . .
H50A H 0.723750 0.528901 0.559142 0.110 Uiso 1 1 calc R U . . .
H50B H 0.822694 0.542639 0.574177 0.110 Uiso 1 1 calc R U . . .
H50C H 0.774338 0.472635 0.531229 0.110 Uiso 1 1 calc R U . . .
C51 C 0.8846(6) 0.5084(5) 0.4377(6) 0.074(3) Uani 1 1 d . . . . .
H51A H 0.880022 0.463538 0.430965 0.111 Uiso 1 1 calc R U . . .
H51B H 0.936037 0.533490 0.463158 0.111 Uiso 1 1 calc R U . . .
H51C H 0.885730 0.512445 0.398931 0.111 Uiso 1 1 calc R U . . .
C52 C 0.4279(4) 0.3716(3) 0.3145(3) 0.0243(14) Uani 1 1 d . . . . .
H52 H 0.415277 0.414139 0.339923 0.029 Uiso 1 1 calc R U . . .
C53 C 0.4380(5) 0.3373(4) 0.3562(4) 0.0386(19) Uani 1 1 d . . . . .
H53A H 0.482941 0.363553 0.388600 0.046 Uiso 1 1 calc R U . . .
H53B H 0.454548 0.296233 0.332801 0.046 Uiso 1 1 calc R U . . .
C54 C 0.3560(5) 0.3252(5) 0.3844(4) 0.050(2) Uani 1 1 d . . . . .
H54A H 0.362925 0.300704 0.409023 0.060 Uiso 1 1 calc R U . . .
H54B H 0.342451 0.366348 0.411220 0.060 Uiso 1 1 calc R U . . .
C55 C 0.2856(6) 0.2886(5) 0.3357(5) 0.067(3) Uani 1 1 d . . . . .
H55A H 0.233455 0.281799 0.354596 0.080 Uiso 1 1 calc R U . . .
H55B H 0.297833 0.246358 0.310774 0.080 Uiso 1 1 calc R U . . .
C56 C 0.2725(5) 0.3228(5) 0.2951(4) 0.049(2) Uani 1 1 d . . . . .
H56A H 0.255685 0.363683 0.318908 0.059 Uiso 1 1 calc R U . . .
H56B H 0.227556 0.296410 0.262786 0.059 Uiso 1 1 calc R U . . .
C57 C 0.3539(5) 0.3352(4) 0.2673(4) 0.0387(19) Uani 1 1 d . . . . .
H57A H 0.366497 0.294007 0.239854 0.046 Uiso 1 1 calc R U . . .
H57B H 0.346269 0.359882 0.242956 0.046 Uiso 1 1 calc R U . . .
C58 C 0.8980(5) 0.4068(3) 0.1699(3) 0.0312(16) Uani 1 1 d . . . . .
H58 H 0.881120 0.437984 0.155143 0.037 Uiso 1 1 calc R U . . .
C59 C 0.9311(6) 0.3600(4) 0.1164(4) 0.049(2) Uani 1 1 d . . . . .
H59A H 0.886013 0.338588 0.083145 0.059 Uiso 1 1 calc R U . . .
H59B H 0.947935 0.326991 0.127779 0.059 Uiso 1 1 calc R U . . .
C60 C 1.0074(7) 0.3927(5) 0.0938(5) 0.069(3) Uani 1 1 d . . . . .
H60A H 0.988988 0.420940 0.076486 0.083 Uiso 1 1 calc R U . . .
H60B H 1.030901 0.359916 0.061698 0.083 Uiso 1 1 calc R U . . .
C61 C 1.0762(6) 0.4326(5) 0.1471(6) 0.076(4) Uani 1 1 d . . . . .
H61A H 1.099164 0.403507 0.161059 0.092 Uiso 1 1 calc R U . . .
H61B H 1.122285 0.455307 0.132648 0.092 Uiso 1 1 calc R U . . .
C62 C 1.0418(6) 0.4806(5) 0.1996(6) 0.076(4) Uani 1 1 d . . . . .
H62A H 1.023386 0.512179 0.186896 0.091 Uiso 1 1 calc R U . . .
H62B H 1.086231 0.503561 0.233173 0.091 Uiso 1 1 calc R U . . .
C63 C 0.9677(6) 0.4468(4) 0.2214(5) 0.053(2) Uani 1 1 d . . . . .
H63A H 0.944336 0.478929 0.254252 0.064 Uiso 1 1 calc R U . . .
H63B H 0.987680 0.418519 0.238010 0.064 Uiso 1 1 calc R U . . .
C64 C 0.7159(5) 0.3419(3) 0.3460(3) 0.0263(15) Uani 1 1 d . . . . .
H64A H 0.669950 0.332566 0.314897 0.032 Uiso 1 1 calc R U . . .
H64B H 0.753887 0.382115 0.351037 0.032 Uiso 1 1 calc R U . . .
C65 C 0.6821(5) 0.3459(4) 0.4057(3) 0.0346(17) Uani 1 1 d . . . . .
H65A H 0.675396 0.389708 0.430945 0.042 Uiso 1 1 calc R U . . .
H65B H 0.627658 0.316453 0.398896 0.042 Uiso 1 1 calc R U . . .
C66 C 0.7490(5) 0.3261(4) 0.4352(3) 0.0381(19) Uani 1 1 d . . . . .
H66A H 0.723265 0.293931 0.450409 0.046 Uiso 1 1 calc R U . . .
H66B H 0.781313 0.363347 0.469311 0.046 Uiso 1 1 calc R U . . .
C67 C 0.8056(5) 0.2979(3) 0.3852(3) 0.0295(16) Uani 1 1 d . . . . .
H67A H 0.860112 0.327281 0.392221 0.035 Uiso 1 1 calc R U . . .
H67B H 0.815346 0.256558 0.383607 0.035 Uiso 1 1 calc R U . . .
C68 C 0.9701(5) 0.3159(4) 0.2813(4) 0.0398(19) Uani 1 1 d . . . . .
H68A H 0.940948 0.352203 0.296984 0.048 Uiso 1 1 calc R U . . .
H68B H 0.994448 0.314640 0.243688 0.048 Uiso 1 1 calc R U . . .
C69 C 1.0379(6) 0.3200(5) 0.3291(6) 0.065(3) Uani 1 1 d . . . . .
H69A H 1.091351 0.346523 0.327183 0.078 Uiso 1 1 calc R U . . .
H69B H 1.019843 0.338399 0.370334 0.078 Uiso 1 1 calc R U . . .
C70 C 1.0462(5) 0.2555(4) 0.3134(4) 0.043(2) Uani 1 1 d . . . . .
H70A H 1.068167 0.249733 0.348833 0.051 Uiso 1 1 calc R U . . .
H70B H 1.083962 0.242468 0.280962 0.051 Uiso 1 1 calc R U . . .
C71 C 0.9579(4) 0.2177(3) 0.2920(3) 0.0278(15) Uani 1 1 d . . . . .
H71A H 0.958547 0.176192 0.258496 0.033 Uiso 1 1 calc R U . . .
H71B H 0.930617 0.209701 0.325301 0.033 Uiso 1 1 calc R U . . .
C72 C 0.6328(4) 0.1531(3) 0.3386(3) 0.0214(13) Uani 1 1 d . . . . .
H72 H 0.652163 0.200320 0.354370 0.026 Uiso 1 1 calc R U . . .
C73 C 0.5585(4) 0.1377(3) 0.2921(3) 0.0271(15) Uani 1 1 d . . . . .
H73A H 0.577471 0.152203 0.260167 0.032 Uiso 1 1 calc R U . . .
H73B H 0.538544 0.091052 0.273032 0.032 Uiso 1 1 calc R U . . .
C74 C 0.4859(5) 0.1694(4) 0.3204(4) 0.042(2) Uani 1 1 d . . . . .
H74A H 0.502878 0.216060 0.333274 0.051 Uiso 1 1 calc R U . . .
H74B H 0.437733 0.154251 0.289612 0.051 Uiso 1 1 calc R U . . .
C75 C 0.4592(5) 0.1549(4) 0.3746(4) 0.041(2) Uani 1 1 d . . . . .
H75A H 0.435586 0.108929 0.361005 0.049 Uiso 1 1 calc R U . . .
H75B H 0.415241 0.178741 0.393187 0.049 Uiso 1 1 calc R U . . .
C76 C 0.5333(5) 0.1735(4) 0.4214(4) 0.040(2) Uani 1 1 d . . . . .
H76A H 0.514872 0.162307 0.455435 0.048 Uiso 1 1 calc R U . . .
H76B H 0.553914 0.220102 0.437513 0.048 Uiso 1 1 calc R U . . .
C77 C 0.6045(4) 0.1395(3) 0.3941(3) 0.0285(15) Uani 1 1 d . . . . .
H77A H 0.585569 0.093083 0.381681 0.034 Uiso 1 1 calc R U . . .
H77B H 0.652403 0.154049 0.424968 0.034 Uiso 1 1 calc R U . . .
C78 C 0.9037(4) 0.1909(3) 0.4724(3) 0.0224(14) Uani 1 1 d . . . . .
H78 H 0.938909 0.175472 0.495685 0.027 Uiso 1 1 calc R U . . .
C79 C 0.8314(5) 0.2111(3) 0.5100(3) 0.0315(16) Uani 1 1 d . . . . .
H79A H 0.799093 0.174017 0.515818 0.038 Uiso 1 1 calc R U . . .
H79B H 0.793735 0.225308 0.487812 0.038 Uiso 1 1 calc R U . . .
C80 C 0.8618(6) 0.2653(4) 0.5721(4) 0.047(2) Uani 1 1 d . . . . .
H80A H 0.813066 0.278553 0.593982 0.056 Uiso 1 1 calc R U . . .
H80B H 0.894599 0.249814 0.596115 0.056 Uiso 1 1 calc R U . . .
C81 C 0.9152(5) 0.3218(4) 0.5653(4) 0.044(2) Uani 1 1 d . . . . .
H81A H 0.936883 0.354704 0.605784 0.053 Uiso 1 1 calc R U . . .
H81B H 0.880464 0.340278 0.545523 0.053 Uiso 1 1 calc R U . . .
C82 C 0.9885(5) 0.3033(4) 0.5281(4) 0.0383(18) Uani 1 1 d . . . . .
H82A H 1.019217 0.340750 0.522034 0.046 Uiso 1 1 calc R U . . .
H82B H 1.027433 0.290230 0.550511 0.046 Uiso 1 1 calc R U . . .
C83 C 0.9592(5) 0.2490(3) 0.4668(3) 0.0322(17) Uani 1 1 d . . . . .
H83A H 1.008514 0.235721 0.445704 0.039 Uiso 1 1 calc R U . . .
H83B H 0.927427 0.264300 0.442136 0.039 Uiso 1 1 calc R U . . .
C84 C 0.7226(4) -0.0221(3) 0.4582(3) 0.0243(14) Uani 1 1 d . . . . .
H84 H 0.769958 -0.017174 0.487279 0.029 Uiso 1 1 calc R U . . .
C85 C 0.6698(5) 0.0281(3) 0.4915(3) 0.0302(16) Uani 1 1 d . . . . .
H85A H 0.705516 0.071080 0.506116 0.036 Uiso 1 1 calc R U . . .
H85B H 0.624443 0.026080 0.462950 0.036 Uiso 1 1 calc R U . . .
C86 C 0.6323(5) 0.0174(4) 0.5445(3) 0.0389(19) Uani 1 1 d . . . . .
H86A H 0.597237 0.049288 0.563456 0.047 Uiso 1 1 calc R U . . .
H86B H 0.677634 0.023499 0.574890 0.047 Uiso 1 1 calc R U . . .
C87 C 0.5792(5) -0.0493(4) 0.5250(4) 0.045(2) Uani 1 1 d . . . . .
H87A H 0.557223 -0.055210 0.560785 0.055 Uiso 1 1 calc R U . . .
H87B H 0.531033 -0.054334 0.497109 0.055 Uiso 1 1 calc R U . . .
C88 C 0.6304(5) -0.0997(4) 0.4937(4) 0.041(2) Uani 1 1 d . . . . .
H88A H 0.593968 -0.142467 0.479454 0.049 Uiso 1 1 calc R U . . .
H88B H 0.674957 -0.097609 0.522910 0.049 Uiso 1 1 calc R U . . .
C89 C 0.6701(5) -0.0899(3) 0.4394(3) 0.0330(17) Uani 1 1 d . . . . .
H89A H 0.706133 -0.121351 0.421868 0.040 Uiso 1 1 calc R U . . .
H89B H 0.625380 -0.097345 0.408027 0.040 Uiso 1 1 calc R U . . .
C90 C 0.9672(4) -0.1178(3) 0.3257(3) 0.0254(14) Uani 1 1 d . . . . .
H90 H 0.938290 -0.158200 0.328159 0.030 Uiso 1 1 calc R U . . .
C91 C 1.0112(6) -0.0725(4) 0.3893(4) 0.043(2) Uani 1 1 d . . . . .
H91A H 1.035245 -0.030590 0.388878 0.051 Uiso 1 1 calc R U . . .
H91B H 0.969473 -0.066132 0.419339 0.051 Uiso 1 1 calc R U . . .
C92 C 1.0810(6) -0.0995(4) 0.4080(4) 0.056(3) Uani 1 1 d . . . . .
H92A H 1.108940 -0.068706 0.447741 0.067 Uiso 1 1 calc R U . . .
H92B H 1.056364 -0.139457 0.412223 0.067 Uiso 1 1 calc R U . . .
C93 C 1.1444(6) -0.1126(5) 0.3626(5) 0.056(3) Uani 1 1 d . . . . .
H93A H 1.187784 -0.130698 0.375443 0.067 Uiso 1 1 calc R U . . .
H93B H 1.171901 -0.072258 0.360233 0.067 Uiso 1 1 calc R U . . .
C94 C 1.1019(5) -0.1600(4) 0.2996(4) 0.045(2) Uani 1 1 d . . . . .
H94A H 1.143981 -0.167037 0.269732 0.054 Uiso 1 1 calc R U . . .
H94B H 1.078234 -0.201430 0.301236 0.054 Uiso 1 1 calc R U . . .
C95 C 1.0316(5) -0.1340(4) 0.2794(3) 0.0321(16) Uani 1 1 d . . . . .
H95A H 1.056456 -0.095333 0.273053 0.039 Uiso 1 1 calc R U . . .
H95B H 1.003163 -0.166208 0.240405 0.039 Uiso 1 1 calc R U . . .
C96 C 0.6635(4) -0.1920(3) 0.2584(3) 0.0235(14) Uani 1 1 d . . . . .
H96 H 0.649124 -0.158771 0.296097 0.028 Uiso 1 1 calc R U . . .
C97 C 0.7080(5) -0.2347(3) 0.2782(3) 0.0317(16) Uani 1 1 d . . . . .
H97A H 0.725813 -0.266920 0.242153 0.038 Uiso 1 1 calc R U . . .
H97B H 0.758706 -0.208344 0.305010 0.038 Uiso 1 1 calc R U . . .
C98 C 0.6528(5) -0.2685(4) 0.3111(3) 0.0375(19) Uani 1 1 d . . . . .
H98A H 0.639896 -0.236608 0.349600 0.045 Uiso 1 1 calc R U . . .
H98B H 0.683085 -0.297157 0.320701 0.045 Uiso 1 1 calc R U . . .
C99 C 0.5704(5) -0.3076(4) 0.2719(4) 0.0400(19) Uani 1 1 d . . . . .
H99A H 0.582961 -0.341910 0.235054 0.048 Uiso 1 1 calc R U . . .
H99B H 0.534344 -0.327604 0.294729 0.048 Uiso 1 1 calc R U . . .
C100 C 0.5251(5) -0.2654(3) 0.2546(3) 0.0351(18) Uani 1 1 d . . . . .
H10A H 0.508122 -0.233550 0.291307 0.042 Uiso 1 1 calc R U . . .
H10B H 0.473965 -0.291427 0.228126 0.042 Uiso 1 1 calc R U . . .
C101 C 0.5802(4) -0.2311(3) 0.2216(3) 0.0269(15) Uani 1 1 d . . . . .
H10C H 0.549314 -0.202383 0.212623 0.032 Uiso 1 1 calc R U . . .
H10D H 0.591925 -0.262960 0.182787 0.032 Uiso 1 1 calc R U . . .
C102 C 0.8519(5) -0.2549(4) 0.0975(4) 0.046(2) Uani 1 1 d . . . . .
H10E H 0.887500 -0.213168 0.106637 0.069 Uiso 1 1 calc R U . . .
H10F H 0.867332 -0.286237 0.060306 0.069 Uiso 1 1 calc R U . . .
H10G H 0.859505 -0.267940 0.130802 0.069 Uiso 1 1 calc R U . . .
C103 C 0.6722(6) -0.3270(4) 0.0780(4) 0.047(2) Uani 1 1 d . . . . .
H10H H 0.683013 -0.336943 0.112921 0.070 Uiso 1 1 calc R U . . .
H10I H 0.683300 -0.361270 0.041217 0.070 Uiso 1 1 calc R U . . .
H10J H 0.613749 -0.323114 0.075026 0.070 Uiso 1 1 calc R U . . .
C104 C 0.7216(6) -0.2335(4) 0.0192(3) 0.050(2) Uani 1 1 d . . . . .
H10K H 0.663424 -0.229021 0.016088 0.075 Uiso 1 1 calc R U . . .
H10L H 0.731986 -0.268731 -0.017050 0.075 Uiso 1 1 calc R U . . .
H10M H 0.758773 -0.193943 0.022797 0.075 Uiso 1 1 calc R U . . .
C105 C 0.5438(4) -0.0385(3) 0.2714(3) 0.0217(13) Uani 1 1 d . . . . .
H105 H 0.528805 0.004589 0.287813 0.026 Uiso 1 1 calc R U . . .
C106 C 0.5081(5) -0.0704(4) 0.2043(3) 0.0317(16) Uani 1 1 d . . . . .
H10N H 0.533300 -0.044027 0.182822 0.038 Uiso 1 1 calc R U . . .
H10O H 0.523635 -0.112618 0.185234 0.038 Uiso 1 1 calc R U . . .
C107 C 0.4135(5) -0.0784(4) 0.1979(3) 0.0382(18) Uani 1 1 d . . . . .
H10P H 0.398406 -0.035977 0.211639 0.046 Uiso 1 1 calc R U . . .
H10Q H 0.392781 -0.102145 0.154790 0.046 Uiso 1 1 calc R U . . .
C108 C 0.3711(5) -0.1139(4) 0.2343(3) 0.0385(19) Uani 1 1 d . . . . .
H10R H 0.310173 -0.115838 0.230782 0.046 Uiso 1 1 calc R U . . .
H10S H 0.380761 -0.158077 0.217492 0.046 Uiso 1 1 calc R U . . .
C109 C 0.4041(5) -0.0816(4) 0.3002(3) 0.0387(19) Uani 1 1 d . . . . .
H10T H 0.377836 -0.107217 0.322077 0.046 Uiso 1 1 calc R U . . .
H10U H 0.389020 -0.039191 0.318200 0.046 Uiso 1 1 calc R U . . .
C110 C 0.4993(4) -0.0741(4) 0.3076(3) 0.0277(15) Uani 1 1 d . . . . .
H11A H 0.519314 -0.050623 0.350791 0.033 Uiso 1 1 calc R U . . .
H11B H 0.513820 -0.116768 0.293944 0.033 Uiso 1 1 calc R U . . .
C111 C 1.0666(4) 0.0674(3) 0.2776(3) 0.0232(14) Uani 1 1 d . . . . .
H111 H 1.078222 0.110059 0.275463 0.028 Uiso 1 1 calc R U . . .
C112 C 1.1238(5) 0.0719(4) 0.3297(3) 0.0390(19) Uani 1 1 d . . . . .
H11C H 1.112538 0.030742 0.333944 0.047 Uiso 1 1 calc R U . . .
H11D H 1.110873 0.104853 0.367423 0.047 Uiso 1 1 calc R U . . .
C113 C 1.2171(5) 0.0886(4) 0.3211(4) 0.0403(19) Uani 1 1 d . . . . .
H11E H 1.230229 0.131870 0.321308 0.048 Uiso 1 1 calc R U . . .
H11F H 1.251554 0.088485 0.355008 0.048 Uiso 1 1 calc R U . . .
C114 C 1.2382(5) 0.0407(5) 0.2618(4) 0.045(2) Uani 1 1 d . . . . .
H11G H 1.297527 0.053382 0.255946 0.054 Uiso 1 1 calc R U . . .
H11H H 1.230537 -0.001770 0.263329 0.054 Uiso 1 1 calc R U . . .
C115 C 1.1833(5) 0.0367(4) 0.2088(4) 0.0384(19) Uani 1 1 d . . . . .
H11I H 1.196226 0.003699 0.171146 0.046 Uiso 1 1 calc R U . . .
H11J H 1.194787 0.077993 0.204743 0.046 Uiso 1 1 calc R U . . .
C116 C 1.0895(4) 0.0200(4) 0.2183(3) 0.0288(15) Uani 1 1 d . . . . .
H11K H 1.054727 0.019648 0.184398 0.035 Uiso 1 1 calc R U . . .
H11L H 1.077100 -0.023226 0.218238 0.035 Uiso 1 1 calc R U . . .
C117 C 0.8978(6) -0.0243(4) 0.0520(3) 0.042(2) Uani 1 1 d . . . . .
H11M H 0.919737 0.019281 0.054917 0.050 Uiso 1 1 calc R U . . .
H11N H 0.855525 -0.046419 0.016959 0.050 Uiso 1 1 calc R U . . .
C118 C 0.9680(6) -0.0608(5) 0.0462(5) 0.056(3) Uani 1 1 d . . . . .
H11O H 0.980323 -0.080902 0.003658 0.067 Uiso 1 1 calc R U . . .
H11P H 1.019471 -0.032667 0.070816 0.067 Uiso 1 1 calc R U . . .
C119 C 0.9339(6) -0.1086(4) 0.0691(4) 0.047(2) Uani 1 1 d . . . . .
H11Q H 0.979277 -0.123054 0.084343 0.056 Uiso 1 1 calc R U . . .
H11R H 0.898103 -0.145850 0.037007 0.056 Uiso 1 1 calc R U . . .
C120 C 0.8831(5) -0.0757(3) 0.1196(3) 0.0282(15) Uani 1 1 d . . . . .
H12A H 0.831914 -0.105424 0.119960 0.034 Uiso 1 1 calc R U . . .
H12B H 0.916143 -0.059634 0.159134 0.034 Uiso 1 1 calc R U . . .
C121 C 0.6131(4) 0.0322(3) 0.1209(3) 0.0239(14) Uani 1 1 d . . . . .
H12C H 0.632629 0.075970 0.123348 0.029 Uiso 1 1 calc R U . . .
H12D H 0.576792 0.033812 0.153727 0.029 Uiso 1 1 calc R U . . .
C122 C 0.5678(5) -0.0105(3) 0.0603(3) 0.0303(16) Uani 1 1 d . . . . .
H12E H 0.594275 -0.000461 0.027682 0.036 Uiso 1 1 calc R U . . .
H12F H 0.508469 -0.006821 0.059032 0.036 Uiso 1 1 calc R U . . .
C123 C 0.5763(4) -0.0765(3) 0.0549(3) 0.0292(15) Uani 1 1 d . . . . .
H12G H 0.533704 -0.093137 0.076484 0.035 Uiso 1 1 calc R U . . .
H12H H 0.570858 -0.106754 0.012071 0.035 Uiso 1 1 calc R U . . .
C124 C 0.6638(5) -0.0656(3) 0.0841(3) 0.0265(15) Uani 1 1 d . . . . .
H12I H 0.664905 -0.092356 0.107295 0.032 Uiso 1 1 calc R U . . .
H12J H 0.704039 -0.076113 0.053145 0.032 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Yb1 Yb2 3.7038(6) . ?
Yb1 Si1 3.5768(18) . ?
Yb1 O1 2.133(4) . ?
Yb1 O12 2.122(4) . ?
Yb1 O13 2.397(4) . ?
Yb1 O14 2.402(5) . ?
Yb1 O15 2.328(4) . ?
Yb1 N1 2.335(5) . ?
Yb2 Si9 3.2123(18) . ?
Yb2 O15 2.281(4) . ?
Yb2 O17 2.921(4) . ?
Yb2 O26 2.078(4) . ?
Yb2 O27 2.418(5) . ?
Yb2 O28 2.323(5) . ?
Yb2 N1 2.576(5) . ?
Yb2 N2 2.148(5) . ?
Si1 O1 1.594(4) . ?
Si1 O2 1.645(4) . ?
Si1 O3 1.646(5) . ?
Si1 C13 1.878(6) . ?
Si2 O2 1.619(4) . ?
Si2 O4 1.620(5) . ?
Si2 O5 1.631(5) . ?
Si2 C19 1.858(7) . ?
Si3 O5 1.627(5) . ?
Si3 O6 1.633(5) . ?
Si3 O7 1.637(5) . ?
Si3 C25 1.852(7) . ?
Si4 O7 1.617(5) . ?
Si4 O8 1.625(5) . ?
Si4 O9 1.645(5) . ?
Si4 C31 1.863(7) . ?
Si5 O9 1.619(5) . ?
Si5 O10 1.621(5) . ?
Si5 O11 1.630(5) . ?
Si5 C37 1.870(13) . ?
Si5 C43 1.855(13) . ?
Si6 O10 1.641(6) . ?
Si6 C49 1.860(9) . ?
Si6 C50 1.855(9) . ?
Si6 C51 1.877(11) . ?
Si7 O3 1.625(5) . ?
Si7 O6 1.618(5) . ?
Si7 O11 1.626(5) . ?
Si7 C52 1.875(7) . ?
Si8 O4 1.645(5) . ?
Si8 O8 1.672(5) . ?
Si8 O12 1.585(5) . ?
Si8 C58 1.857(7) . ?
Si9 O15 1.618(4) . ?
Si9 O16 1.642(5) . ?
Si9 O17 1.671(5) . ?
Si9 C72 1.861(7) . ?
Si10 O16 1.632(5) . ?
Si10 O18 1.623(5) . ?
Si10 O19 1.629(5) . ?
Si10 C78 1.871(7) . ?
Si11 O19 1.622(5) . ?
Si11 O20 1.631(5) . ?
Si11 O21 1.636(5) . ?
Si11 C84 1.855(6) . ?
Si12 O21 1.634(5) . ?
Si12 O22 1.614(5) . ?
Si12 O23 1.634(5) . ?
Si12 C90 1.865(7) . ?
Si13 O23 1.628(5) . ?
Si13 O24 1.643(5) . ?
Si13 O25 1.620(5) . ?
Si13 C96 1.870(7) . ?
Si14 O25 1.652(5) . ?
Si14 C102 1.837(9) . ?
Si14 C103 1.878(8) . ?
Si14 C104 1.875(8) . ?
Si15 O17 1.637(4) . ?
Si15 O20 1.625(4) . ?
Si15 O24 1.647(5) . ?
Si15 C105 1.874(7) . ?
Si16 O18 1.656(5) . ?
Si16 O22 1.640(5) . ?
Si16 O26 1.595(5) . ?
Si16 C111 1.879(7) . ?
O13 C64 1.454(8) . ?
O13 C67 1.442(8) . ?
O14 C68 1.474(8) . ?
O14 C71 1.447(8) . ?
O27 C117 1.467(8) . ?
O27 C120 1.466(8) . ?
O28 C121 1.485(7) . ?
O28 C124 1.465(7) . ?
N1 N2 1.433(7) . ?
N1 C1 1.418(8) . ?
N2 C7 1.384(8) . ?
C1 C2 1.383(9) . ?
C1 C6 1.421(10) . ?
C2 C3 1.398(10) . ?
C3 C4 1.399(13) . ?
C4 C5 1.385(11) . ?
C5 C6 1.387(9) . ?
C7 C8 1.412(9) . ?
C7 C12 1.404(9) . ?
C8 C9 1.367(10) . ?
C9 C10 1.427(11) . ?
C10 C11 1.403(12) . ?
C11 C12 1.393(10) . ?
C13 C14 1.542(9) . ?
C13 C18 1.548(9) . ?
C14 C15 1.536(9) . ?
C15 C16 1.513(11) . ?
C16 C17 1.518(11) . ?
C17 C18 1.513(10) . ?
C19 C20 1.546(10) . ?
C19 C24 1.541(9) . ?
C20 C21 1.531(10) . ?
C21 C22 1.540(10) . ?
C22 C23 1.504(11) . ?
C23 C24 1.515(10) . ?
C25 C26 1.548(12) . ?
C25 C30 1.537(10) . ?
C26 C27 1.549(12) . ?
C27 C28 1.482(15) . ?
C28 C29 1.502(13) . ?
C29 C30 1.540(10) . ?
C31 C32 1.558(11) . ?
C31 C36 1.526(11) . ?
C32 C33 1.536(12) . ?
C33 C34 1.462(13) . ?
C34 C35 1.501(12) . ?
C35 C36 1.550(12) . ?
C37 C38 1.562(14) . ?
C37 C42 1.553(13) . ?
C38 C39 1.530(12) . ?
C39 C40 1.535(13) . ?
C40 C41 1.548(13) . ?
C41 C42 1.550(13) . ?
C43 C44 1.541(13) . ?
C43 C48 1.544(13) . ?
C44 C45 1.539(12) . ?
C45 C46 1.548(13) . ?
C46 C47 1.537(13) . ?
C47 C48 1.543(13) . ?
C52 C53 1.534(9) . ?
C52 C57 1.527(10) . ?
C53 C54 1.544(10) . ?
C54 C55 1.508(14) . ?
C55 C56 1.520(14) . ?
C56 C57 1.529(10) . ?
C58 C59 1.509(11) . ?
C58 C63 1.549(12) . ?
C59 C60 1.564(12) . ?
C60 C61 1.564(16) . ?
C61 C62 1.519(15) . ?
C62 C63 1.539(12) . ?
C64 C65 1.527(9) . ?
C65 C66 1.527(10) . ?
C66 C67 1.540(10) . ?
C68 C69 1.556(12) . ?
C69 C70 1.431(13) . ?
C70 C71 1.517(10) . ?
C72 C73 1.538(9) . ?
C72 C77 1.553(8) . ?
C73 C74 1.534(10) . ?
C74 C75 1.527(11) . ?
C75 C76 1.528(11) . ?
C76 C77 1.533(10) . ?
C78 C79 1.526(9) . ?
C78 C83 1.544(9) . ?
C79 C80 1.540(10) . ?
C80 C81 1.511(12) . ?
C81 C82 1.528(12) . ?
C82 C83 1.526(10) . ?
C84 C85 1.548(10) . ?
C84 C89 1.543(10) . ?
C85 C86 1.513(9) . ?
C86 C87 1.527(11) . ?
C87 C88 1.522(12) . ?
C88 C89 1.550(10) . ?
C90 C91 1.559(10) . ?
C90 C95 1.531(10) . ?
C91 C92 1.538(11) . ?
C92 C93 1.499(14) . ?
C93 C94 1.554(13) . ?
C94 C95 1.545(10) . ?
C96 C97 1.539(9) . ?
C96 C101 1.541(9) . ?
C97 C98 1.524(10) . ?
C98 C99 1.551(11) . ?
C99 C100 1.504(11) . ?
C100 C101 1.530(9) . ?
C105 C106 1.551(9) . ?
C105 C110 1.534(9) . ?
C106 C107 1.524(11) . ?
C107 C108 1.522(11) . ?
C108 C109 1.516(10) . ?
C109 C110 1.534(10) . ?
C111 C112 1.518(9) . ?
C111 C116 1.527(9) . ?
C112 C113 1.543(10) . ?
C113 C114 1.524(12) . ?
C114 C115 1.519(11) . ?
C115 C116 1.555(10) . ?
C117 C118 1.520(12) . ?
C118 C119 1.457(12) . ?
C119 C120 1.512(10) . ?
C121 C122 1.503(10) . ?
C122 C123 1.522(10) . ?
C123 C124 1.522(10) . ?

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
Si1 Yb1 Yb2 119.03(3) . . ?
O1 Yb1 Yb2 108.21(11) . . ?
O1 Yb1 Si1 14.03(11) . . ?
O1 Yb1 O13 86.38(16) . . ?
O1 Yb1 O14 162.49(16) . . ?
O1 Yb1 O15 97.10(15) . . ?
O1 Yb1 N1 103.46(17) . . ?
O12 Yb1 Yb2 145.83(13) . . ?
O12 Yb1 Si1 79.03(13) . . ?
O12 Yb1 O1 92.83(17) . . ?
O12 Yb1 O13 88.74(17) . . ?
O12 Yb1 O14 84.81(16) . . ?
O12 Yb1 O15 167.29(17) . . ?
O12 Yb1 N1 106.34(18) . . ?
O13 Yb1 Yb2 118.44(11) . . ?
O13 Yb1 Si1 88.65(12) . . ?
O13 Yb1 O14 76.24(17) . . ?
O14 Yb1 Yb2 82.45(11) . . ?
O14 Yb1 Si1 158.11(12) . . ?
O15 Yb1 Yb2 36.09(11) . . ?
O15 Yb1 Si1 111.12(11) . . ?
O15 Yb1 O13 84.01(15) . . ?
O15 Yb1 O14 83.34(15) . . ?
O15 Yb1 N1 79.06(16) . . ?
N1 Yb1 Yb2 43.55(13) . . ?
N1 Yb1 Si1 104.79(13) . . ?
N1 Yb1 O13 161.29(17) . . ?
N1 Yb1 O14 93.83(17) . . ?
Si9 Yb2 Yb1 65.14(3) . . ?
O15 Yb2 Yb1 36.95(10) . . ?
O15 Yb2 Si9 28.29(11) . . ?
O15 Yb2 O17 58.06(13) . . ?
O15 Yb2 O27 175.34(15) . . ?
O15 Yb2 O28 102.22(16) . . ?
O15 Yb2 N1 75.05(15) . . ?
O17 Yb2 Yb1 93.15(8) . . ?
O17 Yb2 Si9 31.17(9) . . ?
O26 Yb2 Yb1 115.06(12) . . ?
O26 Yb2 Si9 79.24(12) . . ?
O26 Yb2 O15 93.96(16) . . ?
O26 Yb2 O17 77.54(15) . . ?
O26 Yb2 O27 81.58(16) . . ?
O26 Yb2 O28 133.64(17) . . ?
O26 Yb2 N1 135.42(17) . . ?
O26 Yb2 N2 107.09(19) . . ?
O27 Yb2 Yb1 146.76(10) . . ?
O27 Yb2 Si9 148.09(11) . . ?
O27 Yb2 O17 119.25(13) . . ?
O27 Yb2 N1 109.08(15) . . ?
O28 Yb2 Yb1 103.22(11) . . ?
O28 Yb2 Si9 95.11(11) . . ?
O28 Yb2 O17 75.14(14) . . ?
O28 Yb2 O27 80.10(16) . . ?
O28 Yb2 N1 90.87(16) . . ?
N1 Yb2 Yb1 38.65(11) . . ?
N1 Yb2 Si9 102.48(11) . . ?
N1 Yb2 O17 125.61(14) . . ?
N2 Yb2 Yb1 59.00(14) . . ?
N2 Yb2 Si9 120.71(14) . . ?
N2 Yb2 O15 93.39(17) . . ?
N2 Yb2 O17 151.45(16) . . ?
N2 Yb2 O27 89.24(17) . . ?
N2 Yb2 O28 114.82(18) . . ?
N2 Yb2 N1 33.81(18) . . ?
O1 Si1 Yb1 18.92(15) . . ?
O1 Si1 O2 111.7(2) . . ?
O1 Si1 O3 110.7(2) . . ?
O1 Si1 C13 115.0(3) . . ?
O2 Si1 Yb1 97.01(17) . . ?
O2 Si1 O3 106.9(2) . . ?
O2 Si1 C13 105.9(3) . . ?
O3 Si1 Yb1 105.76(18) . . ?
O3 Si1 C13 106.2(3) . . ?
C13 Si1 Yb1 132.7(2) . . ?
O2 Si2 O4 110.8(2) . . ?
O2 Si2 O5 108.5(2) . . ?
O2 Si2 C19 111.3(3) . . ?
O4 Si2 O5 109.9(3) . . ?
O4 Si2 C19 110.1(3) . . ?
O5 Si2 C19 106.2(3) . . ?
O5 Si3 O6 109.3(2) . . ?
O5 Si3 O7 108.4(3) . . ?
O5 Si3 C25 110.5(3) . . ?
O6 Si3 O7 108.9(3) . . ?
O6 Si3 C25 108.6(3) . . ?
O7 Si3 C25 111.0(3) . . ?
O7 Si4 O8 110.0(3) . . ?
O7 Si4 O9 109.1(3) . . ?
O7 Si4 C31 107.6(3) . . ?
O8 Si4 O9 106.8(2) . . ?
O8 Si4 C31 113.9(3) . . ?
O9 Si4 C31 109.4(3) . . ?
O9 Si5 O10 108.2(3) . . ?
O9 Si5 O11 110.1(3) . . ?
O9 Si5 C37 108.4(7) . . ?
O9 Si5 C43 112.0(7) . . ?
O10 Si5 O11 108.3(3) . . ?
O10 Si5 C37 114.0(7) . . ?
O10 Si5 C43 105.1(6) . . ?
O11 Si5 C37 107.9(7) . . ?
O11 Si5 C43 112.8(8) . . ?
O10 Si6 C49 109.6(4) . . ?
O10 Si6 C50 106.4(4) . . ?
O10 Si6 C51 109.5(4) . . ?
C49 Si6 C51 110.5(4) . . ?
C50 Si6 C49 109.9(4) . . ?
C50 Si6 C51 111.0(6) . . ?
O3 Si7 O11 107.5(2) . . ?
O3 Si7 C52 111.6(3) . . ?
O6 Si7 O3 109.5(2) . . ?
O6 Si7 O11 108.9(3) . . ?
O6 Si7 C52 110.1(3) . . ?
O11 Si7 C52 109.1(3) . . ?
O4 Si8 O8 105.3(2) . . ?
O4 Si8 C58 103.9(3) . . ?
O8 Si8 C58 106.9(3) . . ?
O12 Si8 O4 112.1(3) . . ?
O12 Si8 O8 110.8(2) . . ?
O12 Si8 C58 117.0(3) . . ?
O15 Si9 Yb2 41.92(16) . . ?
O15 Si9 O16 111.5(2) . . ?
O15 Si9 O17 103.6(2) . . ?
O15 Si9 C72 113.3(3) . . ?
O16 Si9 Yb2 109.63(17) . . ?
O16 Si9 O17 109.6(2) . . ?
O16 Si9 C72 106.4(3) . . ?
O17 Si9 Yb2 64.76(15) . . ?
O17 Si9 C72 112.3(3) . . ?
C72 Si9 Yb2 142.4(2) . . ?
O16 Si10 C78 110.7(3) . . ?
O18 Si10 O16 109.5(2) . . ?
O18 Si10 O19 110.1(2) . . ?
O18 Si10 C78 111.1(3) . . ?
O19 Si10 O16 109.3(2) . . ?
O19 Si10 C78 106.0(3) . . ?
O19 Si11 O20 108.6(2) . . ?
O19 Si11 O21 109.8(3) . . ?
O19 Si11 C84 109.4(3) . . ?
O20 Si11 O21 109.1(2) . . ?
O20 Si11 C84 108.3(3) . . ?
O21 Si11 C84 111.5(3) . . ?
O21 Si12 O23 106.9(3) . . ?
O21 Si12 C90 108.4(3) . . ?
O22 Si12 O21 111.1(2) . . ?
O22 Si12 O23 109.2(2) . . ?
O22 Si12 C90 108.7(3) . . ?
O23 Si12 C90 112.5(3) . . ?
O23 Si13 O24 108.8(2) . . ?
O23 Si13 C96 111.5(3) . . ?
O24 Si13 C96 110.0(3) . . ?
O25 Si13 O23 109.4(2) . . ?
O25 Si13 O24 106.1(2) . . ?
O25 Si13 C96 110.8(3) . . ?
O25 Si14 C102 109.5(3) . . ?
O25 Si14 C103 110.1(3) . . ?
O25 Si14 C104 107.3(3) . . ?
C102 Si14 C103 110.1(4) . . ?
C102 Si14 C104 111.3(4) . . ?
C104 Si14 C103 108.4(4) . . ?
O17 Si15 O24 106.5(2) . . ?
O17 Si15 C105 111.1(3) . . ?
O20 Si15 O17 108.8(2) . . ?
O20 Si15 O24 110.3(2) . . ?
O20 Si15 C105 108.2(3) . . ?
O24 Si15 C105 111.9(3) . . ?
O18 Si16 C111 106.7(3) . . ?
O22 Si16 O18 106.7(2) . . ?
O22 Si16 C111 107.6(3) . . ?
O26 Si16 O18 111.6(2) . . ?
O26 Si16 O22 110.5(2) . . ?
O26 Si16 C111 113.5(3) . . ?
Si1 O1 Yb1 147.0(3) . . ?
Si2 O2 Si1 144.5(3) . . ?
Si7 O3 Si1 162.1(3) . . ?
Si2 O4 Si8 147.3(3) . . ?
Si3 O5 Si2 144.6(3) . . ?
Si7 O6 Si3 141.6(3) . . ?
Si4 O7 Si3 147.1(3) . . ?
Si4 O8 Si8 140.8(3) . . ?
Si5 O9 Si4 138.9(3) . . ?
Si5 O10 Si6 144.1(3) . . ?
Si7 O11 Si5 145.6(3) . . ?
Si8 O12 Yb1 161.9(3) . . ?
C64 O13 Yb1 119.0(4) . . ?
C67 O13 Yb1 133.0(4) . . ?
C67 O13 C64 106.1(5) . . ?
C68 O14 Yb1 122.4(4) . . ?
C71 O14 Yb1 128.8(4) . . ?
C71 O14 C68 108.8(5) . . ?
Yb2 O15 Yb1 106.96(16) . . ?
Si9 O15 Yb1 142.7(3) . . ?
Si9 O15 Yb2 109.8(2) . . ?
Si10 O16 Si9 152.9(3) . . ?
Si9 O17 Yb2 84.07(17) . . ?
Si15 O17 Yb2 133.5(2) . . ?
Si15 O17 Si9 140.7(3) . . ?
Si10 O18 Si16 137.3(3) . . ?
Si11 O19 Si10 146.7(3) . . ?
Si15 O20 Si11 148.4(3) . . ?
Si12 O21 Si11 143.5(3) . . ?
Si12 O22 Si16 161.8(3) . . ?
Si13 O23 Si12 138.5(3) . . ?
Si13 O24 Si15 141.4(3) . . ?
Si13 O25 Si14 150.6(3) . . ?
Si16 O26 Yb2 173.3(3) . . ?
C117 O27 Yb2 126.7(4) . . ?
C120 O27 Yb2 124.1(4) . . ?
C120 O27 C117 107.6(5) . . ?
C121 O28 Yb2 119.9(4) . . ?
C124 O28 Yb2 130.9(4) . . ?
C124 O28 C121 109.0(5) . . ?
Yb1 N1 Yb2 97.80(17) . . ?
N2 N1 Yb1 113.2(4) . . ?
N2 N1 Yb2 56.5(3) . . ?
C1 N1 Yb1 130.5(4) . . ?
C1 N1 Yb2 118.9(4) . . ?
C1 N1 N2 114.6(5) . . ?
N1 N2 Yb2 89.7(3) . . ?
C7 N2 Yb2 149.1(4) . . ?
C7 N2 N1 120.5(5) . . ?
N1 C1 C6 118.1(6) . . ?
C2 C1 N1 124.8(6) . . ?
C2 C1 C6 117.1(6) . . ?
C1 C2 C3 121.4(7) . . ?
C2 C3 C4 120.5(7) . . ?
C5 C4 C3 119.0(7) . . ?
C4 C5 C6 120.1(7) . . ?
C5 C6 C1 121.7(7) . . ?
N2 C7 C8 117.8(6) . . ?
N2 C7 C12 124.0(6) . . ?
C12 C7 C8 118.2(6) . . ?
C9 C8 C7 121.0(7) . . ?
C8 C9 C10 121.2(7) . . ?
C11 C10 C9 117.9(7) . . ?
C12 C11 C10 120.6(7) . . ?
C11 C12 C7 121.2(7) . . ?
C14 C13 Si1 112.7(4) . . ?
C14 C13 C18 108.7(5) . . ?
C18 C13 Si1 115.8(5) . . ?
C15 C14 C13 111.3(5) . . ?
C16 C15 C14 111.9(6) . . ?
C15 C16 C17 112.0(6) . . ?
C18 C17 C16 112.6(6) . . ?
C17 C18 C13 111.0(6) . . ?
C20 C19 Si2 112.6(5) . . ?
C24 C19 Si2 111.1(5) . . ?
C24 C19 C20 109.5(5) . . ?
C21 C20 C19 111.3(6) . . ?
C20 C21 C22 111.8(6) . . ?
C23 C22 C21 111.1(6) . . ?
C22 C23 C24 111.9(7) . . ?
C23 C24 C19 112.9(6) . . ?
C26 C25 Si3 111.9(5) . . ?
C30 C25 Si3 113.8(5) . . ?
C30 C25 C26 109.0(7) . . ?
C25 C26 C27 110.4(8) . . ?
C28 C27 C26 111.8(9) . . ?
C27 C28 C29 113.0(8) . . ?
C28 C29 C30 110.9(7) . . ?
C25 C30 C29 112.7(7) . . ?
C32 C31 Si4 112.4(6) . . ?
C36 C31 Si4 114.6(5) . . ?
C36 C31 C32 108.4(6) . . ?
C33 C32 C31 111.0(7) . . ?
C34 C33 C32 109.7(8) . . ?
C33 C34 C35 113.3(8) . . ?
C34 C35 C36 109.7(8) . . ?
C31 C36 C35 111.0(7) . . ?
C38 C37 Si5 120.7(12) . . ?
C42 C37 Si5 110.7(11) . . ?
C42 C37 C38 110.4(14) . . ?
C39 C38 C37 110.1(12) . . ?
C38 C39 C40 116.2(12) . . ?
C39 C40 C41 109.0(12) . . ?
C40 C41 C42 109.2(17) . . ?
C41 C42 C37 114.1(15) . . ?
C44 C43 Si5 110.2(10) . . ?
C44 C43 C48 114.7(16) . . ?
C48 C43 Si5 112.7(11) . . ?
C45 C44 C43 111.2(11) . . ?
C44 C45 C46 108.6(11) . . ?
C47 C46 C45 112.8(13) . . ?
C46 C47 C48 110.3(16) . . ?
C47 C48 C43 108.3(16) . . ?
C53 C52 Si7 109.6(5) . . ?
C57 C52 Si7 113.8(5) . . ?
C57 C52 C53 110.7(6) . . ?
C52 C53 C54 111.0(7) . . ?
C55 C54 C53 110.2(7) . . ?
C54 C55 C56 112.5(8) . . ?
C55 C56 C57 109.1(8) . . ?
C52 C57 C56 112.9(7) . . ?
C59 C58 Si8 114.0(5) . . ?
C59 C58 C63 111.8(7) . . ?
C63 C58 Si8 114.9(5) . . ?
C58 C59 C60 112.2(7) . . ?
C59 C60 C61 110.3(9) . . ?
C62 C61 C60 111.8(9) . . ?
C61 C62 C63 110.3(9) . . ?
C62 C63 C58 112.0(8) . . ?
O13 C64 C65 103.5(5) . . ?
C66 C65 C64 103.4(6) . . ?
C65 C66 C67 105.5(6) . . ?
O13 C67 C66 105.0(6) . . ?
O14 C68 C69 102.0(6) . . ?
C70 C69 C68 104.5(8) . . ?
C69 C70 C71 103.8(7) . . ?
O14 C71 C70 106.9(6) . . ?
C73 C72 Si9 114.1(4) . . ?
C73 C72 C77 111.3(5) . . ?
C77 C72 Si9 114.7(5) . . ?
C74 C73 C72 112.6(6) . . ?
C75 C74 C73 112.1(6) . . ?
C74 C75 C76 110.9(6) . . ?
C75 C76 C77 111.4(6) . . ?
C76 C77 C72 111.3(6) . . ?
C79 C78 Si10 111.1(5) . . ?
C79 C78 C83 110.3(6) . . ?
C83 C78 Si10 115.2(4) . . ?
C78 C79 C80 112.1(6) . . ?
C81 C80 C79 110.9(7) . . ?
C80 C81 C82 111.9(6) . . ?
C83 C82 C81 111.5(7) . . ?
C82 C83 C78 112.4(6) . . ?
C85 C84 Si11 111.3(4) . . ?
C89 C84 Si11 112.4(5) . . ?
C89 C84 C85 110.2(6) . . ?
C86 C85 C84 111.8(6) . . ?
C85 C86 C87 111.6(6) . . ?
C88 C87 C86 110.8(7) . . ?
C87 C88 C89 111.1(6) . . ?
C84 C89 C88 111.8(6) . . ?
C91 C90 Si12 109.7(5) . . ?
C95 C90 Si12 112.5(5) . . ?
C95 C90 C91 110.4(6) . . ?
C92 C91 C90 111.8(7) . . ?
C93 C92 C91 111.5(8) . . ?
C92 C93 C94 110.3(8) . . ?
C95 C94 C93 110.7(7) . . ?
C90 C95 C94 112.3(6) . . ?
C97 C96 Si13 114.5(5) . . ?
C97 C96 C101 109.5(6) . . ?
C101 C96 Si13 112.3(4) . . ?
C98 C97 C96 112.7(6) . . ?
C97 C98 C99 110.7(6) . . ?
C100 C99 C98 110.4(6) . . ?
C99 C100 C101 111.3(7) . . ?
C100 C101 C96 112.9(6) . . ?
C106 C105 Si15 111.2(5) . . ?
C110 C105 Si15 116.2(4) . . ?
C110 C105 C106 110.7(6) . . ?
C107 C106 C105 111.7(6) . . ?
C108 C107 C106 112.0(6) . . ?
C109 C108 C107 111.5(7) . . ?
C108 C109 C110 111.1(6) . . ?
C105 C110 C109 112.1(6) . . ?
C112 C111 Si16 112.5(5) . . ?
C112 C111 C116 109.8(6) . . ?
C116 C111 Si16 113.5(5) . . ?
C111 C112 C113 112.8(6) . . ?
C114 C113 C112 110.4(7) . . ?
C115 C114 C113 111.2(6) . . ?
C114 C115 C116 110.4(6) . . ?
C111 C116 C115 112.1(6) . . ?
O27 C117 C118 104.5(6) . . ?
C119 C118 C117 102.6(7) . . ?
C118 C119 C120 105.2(6) . . ?
O27 C120 C119 106.0(5) . . ?
O28 C121 C122 103.6(5) . . ?
C121 C122 C123 102.9(5) . . ?
C124 C123 C122 103.4(6) . . ?
O28 C124 C123 105.9(5) . . ?

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
Yb1 Si1 O2 Si2 -82.7(5) . . . . ?
Yb1 Si1 O3 Si7 156.2(10) . . . . ?
Yb1 Si1 C13 C14 -148.5(4) . . . . ?
Yb1 Si1 C13 C18 -22.5(6) . . . . ?
Yb1 O13 C64 C65 151.7(4) . . . . ?
Yb1 O13 C67 C66 -162.8(5) . . . . ?
Yb1 O14 C68 C69 162.1(5) . . . . ?
Yb1 O14 C71 C70 176.2(5) . . . . ?
Yb1 N1 N2 Yb2 83.9(3) . . . . ?
Yb1 N1 N2 C7 -89.6(6) . . . . ?
Yb1 N1 C1 C2 163.0(5) . . . . ?
Yb1 N1 C1 C6 -17.5(8) . . . . ?
Yb2 Si9 O15 Yb1 170.0(6) . . . . ?
Yb2 Si9 O16 Si10 -53.9(7) . . . . ?
Yb2 Si9 O17 Si15 164.8(5) . . . . ?
Yb2 Si9 C72 C73 19.9(7) . . . . ?
Yb2 Si9 C72 C77 150.0(4) . . . . ?
Yb2 O27 C117 C118 143.3(6) . . . . ?
Yb2 O27 C120 C119 -165.7(5) . . . . ?
Yb2 O28 C121 C122 151.1(4) . . . . ?
Yb2 O28 C124 C123 -173.6(4) . . . . ?
Yb2 N1 N2 C7 -173.5(6) . . . . ?
Yb2 N1 C1 C2 -64.6(8) . . . . ?
Yb2 N1 C1 C6 114.9(5) . . . . ?
Yb2 N2 C7 C8 8.8(12) . . . . ?
Yb2 N2 C7 C12 -172.9(6) . . . . ?
Si1 C13 C14 C15 -173.0(5) . . . . ?
Si1 C13 C18 C17 174.4(5) . . . . ?
Si2 C19 C20 C21 178.5(5) . . . . ?
Si2 C19 C24 C23 -179.6(6) . . . . ?
Si3 C25 C26 C27 177.7(8) . . . . ?
Si3 C25 C30 C29 -178.9(6) . . . . ?
Si4 C31 C32 C33 -175.0(6) . . . . ?
Si4 C31 C36 C35 177.1(6) . . . . ?
Si5 C37 C38 C39 179.1(12) . . . . ?
Si5 C37 C42 C41 -169.1(17) . . . . ?
Si5 C43 C44 C45 -176.9(12) . . . . ?
Si5 C43 C48 C47 178.2(17) . . . . ?
Si7 C52 C53 C54 179.6(6) . . . . ?
Si7 C52 C57 C56 178.7(6) . . . . ?
Si8 C58 C59 C60 174.3(7) . . . . ?
Si8 C58 C63 C62 -173.3(7) . . . . ?
Si9 C72 C73 C74 -176.9(5) . . . . ?
Si9 C72 C77 C76 175.4(5) . . . . ?
Si10 C78 C79 C80 176.6(6) . . . . ?
Si10 C78 C83 C82 -179.8(5) . . . . ?
Si11 C84 C85 C86 179.9(5) . . . . ?
Si11 C84 C89 C88 -178.2(5) . . . . ?
Si12 C90 C91 C92 -177.7(6) . . . . ?
Si12 C90 C95 C94 175.9(5) . . . . ?
Si13 C96 C97 C98 179.4(5) . . . . ?
Si13 C96 C101 C100 -178.5(5) . . . . ?
Si15 C105 C106 C107 -176.4(5) . . . . ?
Si15 C105 C110 C109 178.3(5) . . . . ?
Si16 C111 C112 C113 -177.6(6) . . . . ?
Si16 C111 C116 C115 178.3(5) . . . . ?
O1 Si1 O2 Si2 -95.0(5) . . . . ?
O1 Si1 O3 Si7 175.4(10) . . . . ?
O1 Si1 C13 C14 -156.6(4) . . . . ?
O1 Si1 C13 C18 -30.5(5) . . . . ?
O2 Si1 O1 Yb1 40.7(6) . . . . ?
O2 Si1 O3 Si7 53.6(11) . . . . ?
O2 Si1 C13 C14 -32.7(5) . . . . ?
O2 Si1 C13 C18 93.4(5) . . . . ?
O2 Si2 O4 Si8 -36.5(6) . . . . ?
O2 Si2 O5 Si3 82.7(6) . . . . ?
O2 Si2 C19 C20 58.1(5) . . . . ?
O2 Si2 C19 C24 -178.7(5) . . . . ?
O3 Si1 O1 Yb1 -78.2(5) . . . . ?
O3 Si1 O2 Si2 26.1(6) . . . . ?
O3 Si1 C13 C14 80.7(5) . . . . ?
O3 Si1 C13 C18 -153.2(4) . . . . ?
O3 Si7 O6 Si3 -46.2(6) . . . . ?
O3 Si7 O11 Si5 140.3(5) . . . . ?
O3 Si7 C52 C53 57.7(6) . . . . ?
O3 Si7 C52 C57 -66.9(6) . . . . ?
O4 Si2 O2 Si1 59.5(6) . . . . ?
O4 Si2 O5 Si3 -38.5(6) . . . . ?
O4 Si2 C19 C20 -178.7(4) . . . . ?
O4 Si2 C19 C24 -55.5(5) . . . . ?
O4 Si8 O8 Si4 -48.8(6) . . . . ?
O4 Si8 O12 Yb1 -22.8(11) . . . . ?
O4 Si8 C58 C59 -64.5(6) . . . . ?
O4 Si8 C58 C63 164.6(6) . . . . ?
O5 Si2 O2 Si1 -61.2(6) . . . . ?
O5 Si2 O4 Si8 83.3(6) . . . . ?
O5 Si2 C19 C20 -59.8(5) . . . . ?
O5 Si2 C19 C24 63.4(5) . . . . ?
O5 Si3 O6 Si7 60.9(6) . . . . ?
O5 Si3 O7 Si4 -79.8(6) . . . . ?
O5 Si3 C25 C26 58.0(7) . . . . ?
O5 Si3 C25 C30 -66.1(6) . . . . ?
O6 Si3 O5 Si2 -74.4(6) . . . . ?
O6 Si3 O7 Si4 39.1(7) . . . . ?
O6 Si3 C25 C26 -61.9(7) . . . . ?
O6 Si3 C25 C30 174.0(5) . . . . ?
O6 Si7 O3 Si1 -39.4(11) . . . . ?
O6 Si7 O11 Si5 21.8(6) . . . . ?
O6 Si7 C52 C53 179.6(5) . . . . ?
O6 Si7 C52 C57 55.0(6) . . . . ?
O7 Si3 O5 Si2 44.2(6) . . . . ?
O7 Si3 O6 Si7 -57.4(6) . . . . ?
O7 Si3 C25 C26 178.4(6) . . . . ?
O7 Si3 C25 C30 54.3(6) . . . . ?
O7 Si4 O8 Si8 58.3(6) . . . . ?
O7 Si4 O9 Si5 61.0(6) . . . . ?
O7 Si4 C31 C32 17.5(6) . . . . ?
O7 Si4 C31 C36 141.9(6) . . . . ?
O8 Si4 O7 Si3 44.8(7) . . . . ?
O8 Si4 O9 Si5 -57.9(6) . . . . ?
O8 Si4 C31 C32 139.7(5) . . . . ?
O8 Si4 C31 C36 -95.9(6) . . . . ?
O8 Si8 O4 Si2 -63.5(6) . . . . ?
O8 Si8 O12 Yb1 94.5(10) . . . . ?
O8 Si8 C58 C59 -175.6(6) . . . . ?
O8 Si8 C58 C63 53.5(6) . . . . ?
O9 Si4 O7 Si3 -72.0(6) . . . . ?
O9 Si4 O8 Si8 176.6(5) . . . . ?
O9 Si4 C31 C32 -100.9(6) . . . . ?
O9 Si4 C31 C36 23.5(7) . . . . ?
O9 Si5 O10 Si6 33.4(7) . . . . ?
O9 Si5 O11 Si7 -69.9(6) . . . . ?
O9 Si5 C37 C38 -40.4(16) . . . . ?
O9 Si5 C37 C42 -171.6(14) . . . . ?
O9 Si5 C43 C44 56.2(16) . . . . ?
O9 Si5 C43 C48 -174.3(14) . . . . ?
O10 Si5 O9 Si4 121.1(5) . . . . ?
O10 Si5 O11 Si7 172.0(5) . . . . ?
O10 Si5 C37 C38 80.1(15) . . . . ?
O10 Si5 C37 C42 -51.1(16) . . . . ?
O10 Si5 C43 C44 173.5(13) . . . . ?
O10 Si5 C43 C48 -57.0(16) . . . . ?
O11 Si5 O9 Si4 2.9(6) . . . . ?
O11 Si5 O10 Si6 152.8(6) . . . . ?
O11 Si5 C37 C38 -159.7(13) . . . . ?
O11 Si5 C37 C42 69.1(15) . . . . ?
O11 Si5 C43 C44 -68.8(16) . . . . ?
O11 Si5 C43 C48 60.7(16) . . . . ?
O11 Si7 O3 Si1 -157.5(10) . . . . ?
O11 Si7 O6 Si3 71.0(6) . . . . ?
O11 Si7 C52 C53 -61.0(6) . . . . ?
O11 Si7 C52 C57 174.5(5) . . . . ?
O12 Si8 O4 Si2 57.1(6) . . . . ?
O12 Si8 O8 Si4 -170.1(5) . . . . ?
O12 Si8 C58 C59 59.6(7) . . . . ?
O12 Si8 C58 C63 -71.3(6) . . . . ?
O13 C64 C65 C66 32.7(8) . . . . ?
O14 C68 C69 C70 35.4(9) . . . . ?
O15 Si9 O16 Si10 -98.7(7) . . . . ?
O15 Si9 O17 Yb2 16.1(2) . . . . ?
O15 Si9 O17 Si15 -179.1(4) . . . . ?
O15 Si9 C72 C73 59.8(5) . . . . ?
O15 Si9 C72 C77 -170.1(4) . . . . ?
O16 Si9 O15 Yb1 -94.2(4) . . . . ?
O16 Si9 O15 Yb2 95.8(3) . . . . ?
O16 Si9 O17 Yb2 -103.07(19) . . . . ?
O16 Si9 O17 Si15 61.8(5) . . . . ?
O16 Si9 C72 C73 -177.3(4) . . . . ?
O16 Si9 C72 C77 -47.2(5) . . . . ?
O16 Si10 O18 Si16 -55.7(5) . . . . ?
O16 Si10 O19 Si11 50.8(6) . . . . ?
O16 Si10 C78 C79 54.7(5) . . . . ?
O16 Si10 C78 C83 -71.6(6) . . . . ?
O17 Si9 O15 Yb1 147.9(4) . . . . ?
O17 Si9 O15 Yb2 -22.1(3) . . . . ?
O17 Si9 O16 Si10 15.4(7) . . . . ?
O17 Si9 C72 C73 -57.3(5) . . . . ?
O17 Si9 C72 C77 72.8(5) . . . . ?
O17 Si15 O20 Si11 -68.3(6) . . . . ?
O17 Si15 O24 Si13 142.1(5) . . . . ?
O17 Si15 C105 C106 80.5(5) . . . . ?
O17 Si15 C105 C110 -151.6(5) . . . . ?
O18 Si10 O16 Si9 60.9(7) . . . . ?
O18 Si10 O19 Si11 -69.6(6) . . . . ?
O18 Si10 C78 C79 176.7(4) . . . . ?
O18 Si10 C78 C83 50.3(6) . . . . ?
O18 Si16 O22 Si12 51.9(11) . . . . ?
O18 Si16 C111 C112 50.7(6) . . . . ?
O18 Si16 C111 C116 176.1(5) . . . . ?
O19 Si10 O16 Si9 -59.8(7) . . . . ?
O19 Si10 O18 Si16 64.5(5) . . . . ?
O19 Si10 C78 C79 -63.7(5) . . . . ?
O19 Si10 C78 C83 169.9(5) . . . . ?
O19 Si11 O20 Si15 77.1(6) . . . . ?
O19 Si11 O21 Si12 -55.8(6) . . . . ?
O19 Si11 C84 C85 56.8(5) . . . . ?
O19 Si11 C84 C89 -178.9(5) . . . . ?
O20 Si11 O19 Si10 -40.6(6) . . . . ?
O20 Si11 O21 Si12 63.1(6) . . . . ?
O20 Si11 C84 C85 -61.4(5) . . . . ?
O20 Si11 C84 C89 62.8(6) . . . . ?
O20 Si15 O17 Yb2 121.6(3) . . . . ?
O20 Si15 O17 Si9 -37.3(5) . . . . ?
O20 Si15 O24 Si13 24.1(6) . . . . ?
O20 Si15 C105 C106 -160.0(4) . . . . ?
O20 Si15 C105 C110 -32.2(6) . . . . ?
O21 Si11 O19 Si10 78.6(6) . . . . ?
O21 Si11 O20 Si15 -42.6(6) . . . . ?
O21 Si11 C84 C85 178.5(5) . . . . ?
O21 Si11 C84 C89 -57.2(6) . . . . ?
O21 Si12 O22 Si16 -27.9(11) . . . . ?
O21 Si12 O23 Si13 21.5(5) . . . . ?
O21 Si12 C90 C91 -52.2(6) . . . . ?
O21 Si12 C90 C95 -175.5(5) . . . . ?
O22 Si12 O21 Si11 29.7(6) . . . . ?
O22 Si12 O23 Si13 -98.8(5) . . . . ?
O22 Si12 C90 C91 68.6(6) . . . . ?
O22 Si12 C90 C95 -54.6(6) . . . . ?
O22 Si16 O18 Si10 -68.5(5) . . . . ?
O22 Si16 C111 C112 -63.4(6) . . . . ?
O22 Si16 C111 C116 62.0(5) . . . . ?
O23 Si12 O21 Si11 -89.4(6) . . . . ?
O23 Si12 O22 Si16 89.7(11) . . . . ?
O23 Si12 C90 C91 -170.2(5) . . . . ?
O23 Si12 C90 C95 66.5(6) . . . . ?
O23 Si13 O24 Si15 -83.1(5) . . . . ?
O23 Si13 O25 Si14 46.0(7) . . . . ?
O23 Si13 C96 C97 -32.8(6) . . . . ?
O23 Si13 C96 C101 -158.6(4) . . . . ?
O24 Si13 O23 Si12 50.0(5) . . . . ?
O24 Si13 O25 Si14 163.3(6) . . . . ?
O24 Si13 C96 C97 -153.7(5) . . . . ?
O24 Si13 C96 C101 80.6(5) . . . . ?
O24 Si15 O17 Yb2 2.7(4) . . . . ?
O24 Si15 O17 Si9 -156.3(4) . . . . ?
O24 Si15 O20 Si11 48.2(6) . . . . ?
O24 Si15 C105 C106 -38.3(5) . . . . ?
O24 Si15 C105 C110 89.6(5) . . . . ?
O25 Si13 O23 Si12 165.6(4) . . . . ?
O25 Si13 O24 Si15 159.3(5) . . . . ?
O25 Si13 C96 C97 89.3(5) . . . . ?
O25 Si13 C96 C101 -36.4(6) . . . . ?
O26 Si16 O18 Si10 52.2(5) . . . . ?
O26 Si16 O22 Si12 -69.6(11) . . . . ?
O26 Si16 C111 C112 174.0(5) . . . . ?
O26 Si16 C111 C116 -60.5(6) . . . . ?
O27 C117 C118 C119 36.2(9) . . . . ?
O28 C121 C122 C123 37.3(6) . . . . ?
N1 N2 C7 C8 176.0(6) . . . . ?
N1 N2 C7 C12 -5.7(10) . . . . ?
N1 C1 C2 C3 175.5(7) . . . . ?
N1 C1 C6 C5 -176.5(6) . . . . ?
N2 N1 C1 C2 -0.8(9) . . . . ?
N2 N1 C1 C6 178.8(5) . . . . ?
N2 C7 C8 C9 -179.4(7) . . . . ?
N2 C7 C12 C11 179.9(7) . . . . ?
C1 N1 N2 Yb2 -109.5(5) . . . . ?
C1 N1 N2 C7 77.0(7) . . . . ?
C1 C2 C3 C4 2.5(12) . . . . ?
C2 C1 C6 C5 3.1(10) . . . . ?
C2 C3 C4 C5 0.2(13) . . . . ?
C3 C4 C5 C6 -1.2(11) . . . . ?
C4 C5 C6 C1 -0.5(10) . . . . ?
C6 C1 C2 C3 -4.0(10) . . . . ?
C7 C8 C9 C10 -1.4(14) . . . . ?
C8 C7 C12 C11 -1.8(11) . . . . ?
C8 C9 C10 C11 0.1(15) . . . . ?
C9 C10 C11 C12 0.3(14) . . . . ?
C10 C11 C12 C7 0.5(13) . . . . ?
C12 C7 C8 C9 2.2(11) . . . . ?
C13 Si1 O1 Yb1 161.5(4) . . . . ?
C13 Si1 O2 Si2 139.0(5) . . . . ?
C13 Si1 O3 Si7 -59.2(11) . . . . ?
C13 C14 C15 C16 -55.3(8) . . . . ?
C14 C13 C18 C17 -57.6(7) . . . . ?
C14 C15 C16 C17 52.1(9) . . . . ?
C15 C16 C17 C18 -53.0(9) . . . . ?
C16 C17 C18 C13 56.1(8) . . . . ?
C18 C13 C14 C15 57.2(7) . . . . ?
C19 Si2 O2 Si1 -177.7(5) . . . . ?
C19 Si2 O4 Si8 -160.0(5) . . . . ?
C19 Si2 O5 Si3 -157.6(5) . . . . ?
C19 C20 C21 C22 -55.5(9) . . . . ?
C20 C19 C24 C23 -54.6(8) . . . . ?
C20 C21 C22 C23 55.1(9) . . . . ?
C21 C22 C23 C24 -54.5(9) . . . . ?
C22 C23 C24 C19 55.5(9) . . . . ?
C24 C19 C20 C21 54.4(8) . . . . ?
C25 Si3 O5 Si2 166.1(5) . . . . ?
C25 Si3 O6 Si7 -178.4(5) . . . . ?
C25 Si3 O7 Si4 158.6(6) . . . . ?
C25 C26 C27 C28 56.6(13) . . . . ?
C26 C25 C30 C29 55.5(9) . . . . ?
C26 C27 C28 C29 -55.6(13) . . . . ?
C27 C28 C29 C30 53.7(12) . . . . ?
C28 C29 C30 C25 -54.1(10) . . . . ?
C30 C25 C26 C27 -55.6(11) . . . . ?
C31 Si4 O7 Si3 169.4(6) . . . . ?
C31 Si4 O8 Si8 -62.5(6) . . . . ?
C31 Si4 O9 Si5 178.4(5) . . . . ?
C31 C32 C33 C34 -57.9(10) . . . . ?
C32 C31 C36 C35 -56.4(10) . . . . ?
C32 C33 C34 C35 58.5(12) . . . . ?
C33 C34 C35 C36 -57.7(11) . . . . ?
C34 C35 C36 C31 56.4(10) . . . . ?
C36 C31 C32 C33 57.2(9) . . . . ?
C37 Si5 O9 Si4 -114.9(8) . . . . ?
C37 Si5 O10 Si6 -87.2(9) . . . . ?
C37 Si5 O11 Si7 48.3(9) . . . . ?
C37 C38 C39 C40 53.6(19) . . . . ?
C38 C37 C42 C41 55(2) . . . . ?
C38 C39 C40 C41 -57(2) . . . . ?
C39 C40 C41 C42 56(2) . . . . ?
C40 C41 C42 C37 -58(2) . . . . ?
C42 C37 C38 C39 -49.6(19) . . . . ?
C43 Si5 O9 Si4 -123.6(8) . . . . ?
C43 Si5 O10 Si6 -86.4(10) . . . . ?
C43 Si5 O11 Si7 56.1(8) . . . . ?
C43 C44 C45 C46 -53(2) . . . . ?
C44 C43 C48 C47 -55(2) . . . . ?
C44 C45 C46 C47 57.8(19) . . . . ?
C45 C46 C47 C48 -60(2) . . . . ?
C46 C47 C48 C43 56(2) . . . . ?
C48 C43 C44 C45 55(2) . . . . ?
C49 Si6 O10 Si5 40.3(7) . . . . ?
C50 Si6 O10 Si5 159.1(6) . . . . ?
C51 Si6 O10 Si5 -80.9(7) . . . . ?
C52 Si7 O3 Si1 82.9(10) . . . . ?
C52 Si7 O6 Si3 -169.3(5) . . . . ?
C52 Si7 O11 Si5 -98.5(6) . . . . ?
C52 C53 C54 C55 55.7(10) . . . . ?
C53 C52 C57 C56 54.7(9) . . . . ?
C53 C54 C55 C56 -58.0(11) . . . . ?
C54 C55 C56 C57 57.1(10) . . . . ?
C55 C56 C57 C52 -55.2(10) . . . . ?
C57 C52 C53 C54 -54.0(9) . . . . ?
C58 Si8 O4 Si2 -175.8(6) . . . . ?
C58 Si8 O8 Si4 61.4(6) . . . . ?
C58 Si8 O12 Yb1 -142.6(9) . . . . ?
C58 C59 C60 C61 53.2(11) . . . . ?
C59 C58 C63 C62 54.8(10) . . . . ?
C59 C60 C61 C62 -55.1(12) . . . . ?
C60 C61 C62 C63 56.7(13) . . . . ?
C61 C62 C63 C58 -56.1(13) . . . . ?
C63 C58 C59 C60 -53.3(10) . . . . ?
C64 O13 C67 C66 33.8(7) . . . . ?
C64 C65 C66 C67 -12.4(8) . . . . ?
C65 C66 C67 O13 -12.2(8) . . . . ?
C67 O13 C64 C65 -42.1(7) . . . . ?
C68 O14 C71 C70 -1.7(8) . . . . ?
C68 C69 C70 C71 -36.5(10) . . . . ?
C69 C70 C71 O14 24.6(9) . . . . ?
C71 O14 C68 C69 -19.8(8) . . . . ?
C72 Si9 O15 Yb1 25.9(5) . . . . ?
C72 Si9 O15 Yb2 -144.1(3) . . . . ?
C72 Si9 O16 Si10 137.2(6) . . . . ?
C72 Si9 O17 Yb2 138.8(2) . . . . ?
C72 Si9 O17 Si15 -56.3(5) . . . . ?
C72 C73 C74 C75 -52.7(9) . . . . ?
C73 C72 C77 C76 -53.2(8) . . . . ?
C73 C74 C75 C76 55.0(9) . . . . ?
C74 C75 C76 C77 -57.1(9) . . . . ?
C75 C76 C77 C72 56.4(8) . . . . ?
C77 C72 C73 C74 51.4(8) . . . . ?
C78 Si10 O16 Si9 -176.2(6) . . . . ?
C78 Si10 O18 Si16 -178.3(4) . . . . ?
C78 Si10 O19 Si11 170.1(6) . . . . ?
C78 C79 C80 C81 56.0(9) . . . . ?
C79 C78 C83 C82 53.5(8) . . . . ?
C79 C80 C81 C82 -55.3(10) . . . . ?
C80 C81 C82 C83 54.5(9) . . . . ?
C81 C82 C83 C78 -53.6(9) . . . . ?
C83 C78 C79 C80 -54.5(8) . . . . ?
C84 Si11 O19 Si10 -158.7(6) . . . . ?
C84 Si11 O20 Si15 -164.1(6) . . . . ?
C84 Si11 O21 Si12 -177.3(5) . . . . ?
C84 C85 C86 C87 -56.7(9) . . . . ?
C85 C84 C89 C88 -53.4(8) . . . . ?
C85 C86 C87 C88 57.2(9) . . . . ?
C86 C87 C88 C89 -55.9(10) . . . . ?
C87 C88 C89 C84 55.0(9) . . . . ?
C89 C84 C85 C86 54.4(8) . . . . ?
C90 Si12 O21 Si11 149.0(5) . . . . ?
C90 Si12 O22 Si16 -147.1(10) . . . . ?
C90 Si12 O23 Si13 140.4(4) . . . . ?
C90 C91 C92 C93 56.7(10) . . . . ?
C91 C90 C95 C94 52.9(8) . . . . ?
C91 C92 C93 C94 -58.1(10) . . . . ?
C92 C93 C94 C95 57.2(9) . . . . ?
C93 C94 C95 C90 -55.3(9) . . . . ?
C95 C90 C91 C92 -53.1(9) . . . . ?
C96 Si13 O23 Si12 -71.5(5) . . . . ?
C96 Si13 O24 Si15 39.3(6) . . . . ?
C96 Si13 O25 Si14 -77.3(7) . . . . ?
C96 C97 C98 C99 55.8(8) . . . . ?
C97 C96 C101 C100 53.1(8) . . . . ?
C97 C98 C99 C100 -56.7(8) . . . . ?
C98 C99 C100 C101 56.6(8) . . . . ?
C99 C100 C101 C96 -56.2(8) . . . . ?
C101 C96 C97 C98 -53.4(8) . . . . ?
C102 Si14 O25 Si13 -37.8(8) . . . . ?
C103 Si14 O25 Si13 83.5(7) . . . . ?
C104 Si14 O25 Si13 -158.8(7) . . . . ?
C105 Si15 O17 Yb2 -119.3(3) . . . . ?
C105 Si15 O17 Si9 81.7(5) . . . . ?
C105 Si15 O20 Si11 170.9(6) . . . . ?
C105 Si15 O24 Si13 -96.3(5) . . . . ?
C105 C106 C107 C108 -54.2(9) . . . . ?
C106 C105 C110 C109 -53.6(8) . . . . ?
C106 C107 C108 C109 55.7(9) . . . . ?
C107 C108 C109 C110 -55.7(9) . . . . ?
C108 C109 C110 C105 55.4(9) . . . . ?
C110 C105 C106 C107 52.9(8) . . . . ?
C111 Si16 O18 Si10 176.7(4) . . . . ?
C111 Si16 O22 Si12 166.0(10) . . . . ?
C111 C112 C113 C114 -55.9(10) . . . . ?
C112 C111 C116 C115 -54.8(8) . . . . ?
C112 C113 C114 C115 56.0(9) . . . . ?
C113 C114 C115 C116 -56.3(9) . . . . ?
C114 C115 C116 C111 56.2(9) . . . . ?
C116 C111 C112 C113 54.9(9) . . . . ?
C117 O27 C120 C119 0.5(8) . . . . ?
C117 C118 C119 C120 -35.8(10) . . . . ?
C118 C119 C120 O27 22.7(9) . . . . ?
C120 O27 C117 C118 -22.4(8) . . . . ?
C121 O28 C124 C123 0.5(7) . . . . ?
C121 C122 C123 C124 -37.1(7) . . . . ?
C122 C123 C124 O28 22.7(7) . . . . ?
C124 O28 C121 C122 -23.8(6) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.169 0.176 0.505 170.6 69.8 '1.75 THF'
2 -0.169 -0.176 0.495 170.6 71.6 '1.75 THF'
3 0.000 0.500 0.966 1624.3 564.0 '14 THF'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ad40
_database_code_depnum_ccdc_archive 'CCDC 2007134'
loop_
_audit_author_name
_audit_author_address
'rosario scopelliti'
;epfl
Switzerland
;
_audit_update_record             
;
2020-06-02 deposited with the CCDC.	2020-07-01 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_THETM01_ad40                
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
RESPONSE: The crystal was rather weak. 
;
_vrf_PLAT973_ad40                
;
PROBLEM: Check Calcd Positive Resid. Density on       Yb2       2.38 eA-3  
RESPONSE: This is likely due to absorption effects.
;
_vrf_PLAT342_ad40                
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.03476 Ang.  
RESPONSE: This is due to disordered moieties. 
;
# end Validation Reply Form

_audit_creation_date             2020-05-29
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         '2(C49 H94 O13 Si8 Yb)'
_chemical_formula_sum            'C98 H188 O26 Si16 Yb2'
_chemical_formula_weight         2577.99
_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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 '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                   16.788(3)
_cell_length_b                   30.084(5)
_cell_length_c                   25.587(3)
_cell_angle_alpha                90
_cell_angle_beta                 90.570(10)
_cell_angle_gamma                90
_cell_volume                     12922(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    163
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      3
_cell_measurement_theta_min      22
_shelx_estimated_absorpt_T_max   0.717
_shelx_estimated_absorpt_T_min   0.637
_exptl_absorpt_coefficient_mu    1.648
_exptl_absorpt_correction_T_max  0.6868
_exptl_absorpt_correction_T_min  0.5356
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1136 before and 0.0972 after correction.
The Ratio of minimum to maximum transmission is 0.7798.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.325
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5392
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0.00 0.00 0.00 0.0000
-4.00 3.00 2.00 0.1460
0.00 0.00 0.00 0.0000
3.00 2.00 1.00 0.1110
-1.00 -9.00 -4.00 0.1570
1.00 11.00 6.00 0.1230
-1.00 2.00 1.00 0.1470
7.00 -2.00 -1.00 0.1380
1.00 2.00 1.00 0.1240
0.00 0.00 0.00 0.0000
-1.00 -9.00 3.00 0.0410
1.00 1.00 7.00 0.0820
-1.00 0.00 -9.00 0.1600
-1.00 -9.00 2.00 0.0430
-2.00 1.00 3.00 0.0860
-1.00 -3.00 0.00 0.0580
2.00 4.00 -1.00 0.1300
-11.00 6.00 -5.00 0.1140

_exptl_crystal_size_max          0.301
_exptl_crystal_size_mid          0.228
_exptl_crystal_size_min          0.216
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1478
_diffrn_reflns_av_unetI/netI     0.1419
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            110312
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        23.999
_diffrn_reflns_theta_max         23.999
_diffrn_reflns_theta_min         1.045
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11826
_reflns_number_total             19944
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.657
_refine_diff_density_min         -1.180
_refine_diff_density_rms         0.230
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1340
_refine_ls_number_reflns         19944
_refine_ls_number_restraints     1687
_refine_ls_R_factor_all          0.1960
_refine_ls_R_factor_gt           0.1206
_refine_ls_restrained_S_all      1.074
_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)+(0.0001P)²+754.2104P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2536
_refine_ls_wR_factor_ref         0.2935
_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
 C94-C89 \\sim C89-C90 \\sim C91-C90 \\sim C91-C92 \\sim C92-C93 \\sim C94-C93
\\sim C95-C100 \\sim C100-
 C99 \\sim C99-C98 \\sim C98-C97 \\sim C97-C96 \\sim C95-C96
 with sigma of 0.02
 Si16-C89 \\sim Si16-C95
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C89 \\sim C90 \\sim C91 \\sim C92 \\sim C93 \\sim C94 \\sim C95 \\sim C96 \\sim
C97 \\sim C98 \\sim C99 \\sim C100: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
O26 \\sim C101 \\sim C102 \\sim C103 \\sim C104: within 2A with sigma of 0.02
and sigma for terminal atoms of 0.04 within 2A
C25 \\sim C30 \\sim C29 \\sim C28 \\sim C27 \\sim C26: within 2A with sigma of
0.02 and sigma for terminal atoms of 0.04 within 2A
C13 \\sim C18 \\sim C17 \\sim C16 \\sim C15 \\sim C14: within 2A with sigma of
0.02 and sigma for terminal atoms of 0.04 within 2A
O13 \\sim C49 \\sim C48 \\sim C47 \\sim C46: within 2A with sigma of 0.02 and
sigma for terminal atoms of 0.04 within 2A
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(C95)=Sof(H95)=Sof(C96)=Sof(H96A)=Sof(H96B)=Sof(C97)=Sof(H97A)=Sof(H97B)=
 Sof(C98)=Sof(H98A)=Sof(H98B)=Sof(C99)=Sof(H99A)=Sof(H99B)=Sof(C100)=Sof(H10A)=
 Sof(H10B)=1-FVAR(1)
 Sof(C89)=Sof(H89)=Sof(C90)=Sof(H90A)=Sof(H90B)=Sof(C91)=Sof(H91A)=Sof(H91B)=
 Sof(C92)=Sof(H92A)=Sof(H92B)=Sof(C93)=Sof(H93A)=Sof(H93B)=Sof(C94)=Sof(H94A)=
 Sof(H94B)=FVAR(1)
6.a Ternary CH refined with riding coordinates:
 C1(H1), C7(H7), C13(H13), C19(H19), C25(H25), C34(H34), C40(H40), C50(H50),
 C56(H56), C62(H62), C68(H68), C74(H74), C83(H83), C89(H89), C95(H95)
6.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B), C8(H8A,H8B),
 C9(H9A,H9B), C10(H10K,H10L), C11(H11A,H11B), C12(H12A,H12B), C14(H14A,H14B),
 C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C18(H18A,H18B), C20(H20A,H20B),
  C21(H21A,H21B), C22(H22A,H22B), C23(H23A,H23B), C24(H24A,H24B), C26(H26A,
 H26B), C27(H27A,H27B), C28(H28A,H28B), C29(H29A,H29B), C30(H30A,H30B),
 C35(H35A,H35B), C36(H36A,H36B), C37(H37A,H37B), C38(H38A,H38B), C39(H39A,H39B),
  C41(H41A,H41B), C42(H42A,H42B), C43(H43A,H43B), C44(H44A,H44B), C45(H45A,
 H45B), C46(H46A,H46B), C47(H47A,H47B), C48(H48A,H48B), C49(H49A,H49B),
 C51(H51A,H51B), C52(H52A,H52B), C53(H53A,H53B), C54(H54A,H54B), C55(H55A,H55B),
  C57(H57A,H57B), C58(H58A,H58B), C59(H59A,H59B), C60(H60A,H60B), C61(H61A,
 H61B), C63(H63A,H63B), C64(H64A,H64B), C65(H65A,H65B), C66(H66A,H66B),
 C67(H67A,H67B), C69(H69A,H69B), C70(H70A,H70B), C71(H71A,H71B), C72(H72A,H72B),
  C73(H73A,H73B), C75(H75A,H75B), C76(H76A,H76B), C77(H77A,H77B), C78(H78A,
 H78B), C79(H79A,H79B), C84(H84A,H84B), C85(H85A,H85B), C86(H86A,H86B),
 C87(H87A,H87B), C88(H88A,H88B), C90(H90A,H90B), C91(H91A,H91B), C92(H92A,H92B),
  C93(H93A,H93B), C94(H94A,H94B), C96(H96A,H96B), C97(H97A,H97B), C98(H98A,
 H98B), C99(H99A,H99B), C100(H10A,H10B), C101(H10C,H10D), C102(H10E,H10F),
 C103(H10G,H10H), C104(H10I,H10J)
6.c Idealised Me refined as rotating group:
 C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C80(H80A,H80B,
 H80C), C81(H81A,H81B,H81C), C82(H82A,H82B,H82C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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
Yb1 Yb 0.58393(5) 0.97361(3) 0.53255(3) 0.0295(2) Uani 1 1 d . . . . .
Si1 Si 0.4947(3) 0.90764(18) 0.4563(2) 0.0271(12) Uani 1 1 d . . . . .
Si2 Si 0.6282(3) 0.89583(19) 0.3746(2) 0.0303(13) Uani 1 1 d . . . . .
Si3 Si 0.7130(3) 0.82173(19) 0.4423(2) 0.0301(13) Uani 1 1 d . . . . .
Si4 Si 0.8434(4) 0.8887(2) 0.4780(2) 0.0332(13) Uani 1 1 d . . . . .
Si5 Si 0.7613(3) 0.89615(19) 0.5885(2) 0.0323(13) Uani 1 1 d . . . . .
Si6 Si 0.8098(4) 0.9946(2) 0.6111(2) 0.0395(15) Uani 1 1 d . . . . .
Si7 Si 0.7375(3) 0.96515(19) 0.4318(2) 0.0309(13) Uani 1 1 d . . . . .
Si8 Si 0.6097(3) 0.85385(19) 0.5350(2) 0.0290(13) Uani 1 1 d . . . . .
O1 O 0.4785(8) 0.9591(4) 0.4711(5) 0.034(3) Uani 1 1 d . . . . .
O2 O 0.5403(7) 0.9027(4) 0.3998(4) 0.028(3) Uani 1 1 d . . . . .
O3 O 0.5571(7) 0.8910(4) 0.5052(5) 0.030(3) Uani 1 1 d . . . . .
O4 O 0.6842(8) 0.9365(5) 0.3877(5) 0.036(3) Uani 1 1 d . . . . .
O5 O 0.6667(7) 0.8495(4) 0.3971(5) 0.030(3) Uani 1 1 d . . . . .
O6 O 0.6585(8) 0.8213(4) 0.4952(5) 0.035(3) Uani 1 1 d . . . . .
O7 O 0.7985(8) 0.8454(4) 0.4547(5) 0.031(3) Uani 1 1 d . . . . .
O8 O 0.8249(8) 0.8918(4) 0.5405(5) 0.032(3) Uani 1 1 d . . . . .
O9 O 0.8138(8) 0.9325(5) 0.4483(5) 0.038(3) Uani 1 1 d . . . . .
O10 O 0.6724(8) 0.8849(5) 0.5684(5) 0.035(3) Uani 1 1 d . . . . .
O11 O 0.7594(9) 0.9483(5) 0.6088(5) 0.042(3) Uani 1 1 d . . . . .
O12 O 0.6877(8) 0.9782(4) 0.4814(5) 0.034(3) Uani 1 1 d . . . . .
O13 O 0.5381(9) 0.9642(5) 0.6214(5) 0.048(3) Uani 1 1 d . U . . .
C1 C 0.4031(12) 0.8715(6) 0.4522(7) 0.031(4) Uani 1 1 d . . . . .
H1 H 0.368854 0.883109 0.423076 0.037 Uiso 1 1 calc R U . . .
C2 C 0.3538(12) 0.8744(7) 0.5034(7) 0.034(4) Uani 1 1 d . . . . .
H2A H 0.387228 0.865025 0.533580 0.041 Uiso 1 1 calc R U . . .
H2B H 0.336630 0.905423 0.509319 0.041 Uiso 1 1 calc R U . . .
C3 C 0.2823(14) 0.8447(9) 0.4989(9) 0.054(6) Uani 1 1 d . . . . .
H3A H 0.252404 0.846308 0.532027 0.065 Uiso 1 1 calc R U . . .
H3B H 0.247140 0.856290 0.470771 0.065 Uiso 1 1 calc R U . . .
C4 C 0.3008(15) 0.7971(8) 0.4876(9) 0.054(6) Uani 1 1 d . . . . .
H4A H 0.250780 0.779876 0.484533 0.064 Uiso 1 1 calc R U . . .
H4B H 0.333005 0.784362 0.516603 0.064 Uiso 1 1 calc R U . . .
C5 C 0.3484(15) 0.7941(9) 0.4352(8) 0.054(6) Uani 1 1 d . . . . .
H5A H 0.362711 0.762691 0.428318 0.065 Uiso 1 1 calc R U . . .
H5B H 0.314397 0.804629 0.405906 0.065 Uiso 1 1 calc R U . . .
C6 C 0.4259(14) 0.8229(7) 0.4385(8) 0.041(5) Uani 1 1 d . . . . .
H6A H 0.462204 0.810823 0.465721 0.049 Uiso 1 1 calc R U . . .
H6B H 0.453772 0.822173 0.404638 0.049 Uiso 1 1 calc R U . . .
C7 C 0.6144(13) 0.8904(8) 0.3009(8) 0.040(5) Uani 1 1 d . . . . .
H7 H 0.583477 0.916725 0.288083 0.048 Uiso 1 1 calc R U . . .
C8 C 0.6890(14) 0.8890(9) 0.2736(9) 0.056(6) Uani 1 1 d . . . . .
H8A H 0.721131 0.863418 0.285925 0.067 Uiso 1 1 calc R U . . .
H8B H 0.719588 0.916574 0.280366 0.067 Uiso 1 1 calc R U . . .
C9 C 0.671(2) 0.8843(11) 0.2139(10) 0.082(8) Uani 1 1 d . . . . .
H9A H 0.635846 0.908899 0.202060 0.099 Uiso 1 1 calc R U . . .
H9B H 0.721034 0.885768 0.193973 0.099 Uiso 1 1 calc R U . . .
C10 C 0.6311(16) 0.8411(11) 0.2049(9) 0.073(8) Uani 1 1 d . . . . .
H10K H 0.662400 0.816705 0.221043 0.088 Uiso 1 1 calc R U . . .
H10L H 0.625653 0.835127 0.166962 0.088 Uiso 1 1 calc R U . . .
C11 C 0.5503(16) 0.8442(12) 0.2296(9) 0.084(10) Uani 1 1 d . . . . .
H11A H 0.518435 0.817323 0.221390 0.101 Uiso 1 1 calc R U . . .
H11B H 0.521298 0.870566 0.216265 0.101 Uiso 1 1 calc R U . . .
C12 C 0.5647(15) 0.8482(9) 0.2902(8) 0.056(6) Uani 1 1 d . . . . .
H12A H 0.513093 0.850093 0.308446 0.067 Uiso 1 1 calc R U . . .
H12B H 0.593556 0.821639 0.303320 0.067 Uiso 1 1 calc R U . . .
C13 C 0.7316(15) 0.7646(7) 0.4198(10) 0.055(5) Uani 1 1 d . U . . .
H13 H 0.762241 0.749289 0.448295 0.066 Uiso 1 1 calc R U . . .
C14 C 0.7822(17) 0.7619(8) 0.3703(12) 0.073(6) Uani 1 1 d . U . . .
H14A H 0.754289 0.778201 0.341983 0.087 Uiso 1 1 calc R U . . .
H14B H 0.833383 0.777292 0.377118 0.087 Uiso 1 1 calc R U . . .
C15 C 0.8000(18) 0.7156(9) 0.3513(13) 0.084(6) Uani 1 1 d . U . . .
H15A H 0.832891 0.699572 0.377490 0.101 Uiso 1 1 calc R U . . .
H15B H 0.829807 0.716951 0.318160 0.101 Uiso 1 1 calc R U . . .
C16 C 0.7199(18) 0.6911(9) 0.3427(12) 0.079(6) Uani 1 1 d . U . . .
H16A H 0.688889 0.706289 0.314803 0.095 Uiso 1 1 calc R U . . .
H16B H 0.730323 0.660275 0.331114 0.095 Uiso 1 1 calc R U . . .
C17 C 0.6718(17) 0.6904(8) 0.3930(11) 0.068(6) Uani 1 1 d . U . . .
H17A H 0.702468 0.674576 0.420468 0.082 Uiso 1 1 calc R U . . .
H17B H 0.621564 0.673868 0.386795 0.082 Uiso 1 1 calc R U . . .
C18 C 0.6519(15) 0.7386(8) 0.4123(11) 0.059(5) Uani 1 1 d . U . . .
H18A H 0.617533 0.753930 0.386315 0.071 Uiso 1 1 calc R U . . .
H18B H 0.622959 0.737214 0.445836 0.071 Uiso 1 1 calc R U . . .
C19 C 0.9519(13) 0.8823(8) 0.4692(8) 0.040(4) Uani 1 1 d . . . . .
H19 H 0.979885 0.905181 0.490976 0.048 Uiso 1 1 calc R U . . .
C20 C 0.9808(14) 0.8364(9) 0.4860(10) 0.059(6) Uani 1 1 d . . . . .
H20A H 0.947861 0.813580 0.468229 0.071 Uiso 1 1 calc R U . . .
H20B H 0.972859 0.833139 0.524142 0.071 Uiso 1 1 calc R U . . .
C21 C 1.0723(15) 0.8276(10) 0.4733(11) 0.070(7) Uani 1 1 d . . . . .
H21A H 1.106128 0.846879 0.495617 0.084 Uiso 1 1 calc R U . . .
H21B H 1.085659 0.796276 0.481357 0.084 Uiso 1 1 calc R U . . .
C22 C 1.0893(13) 0.8367(8) 0.4176(10) 0.048(5) Uani 1 1 d . . . . .
H22A H 1.060891 0.814710 0.395532 0.058 Uiso 1 1 calc R U . . .
H22B H 1.147120 0.833221 0.411609 0.058 Uiso 1 1 calc R U . . .
C23 C 1.0641(15) 0.8828(9) 0.4018(11) 0.062(7) Uani 1 1 d . . . . .
H23A H 1.076156 0.887566 0.364434 0.074 Uiso 1 1 calc R U . . .
H23B H 1.094375 0.904948 0.422555 0.074 Uiso 1 1 calc R U . . .
C24 C 0.9763(13) 0.8890(9) 0.4105(9) 0.053(6) Uani 1 1 d . . . . .
H24A H 0.946495 0.867567 0.388454 0.063 Uiso 1 1 calc R U . . .
H24B H 0.960943 0.919326 0.399272 0.063 Uiso 1 1 calc R U . . .
C25 C 0.7894(16) 0.8578(8) 0.6415(9) 0.053(5) Uani 1 1 d . U . . .
H25 H 0.744584 0.858020 0.666886 0.063 Uiso 1 1 calc R U . . .
C26 C 0.8643(19) 0.8712(9) 0.6721(11) 0.076(6) Uani 1 1 d . U . . .
H26A H 0.910313 0.871842 0.648196 0.091 Uiso 1 1 calc R U . . .
H26B H 0.857179 0.901443 0.686462 0.091 Uiso 1 1 calc R U . . .
C27 C 0.882(2) 0.8393(9) 0.7162(12) 0.088(6) Uani 1 1 d . U . . .
H27A H 0.838352 0.841613 0.742114 0.106 Uiso 1 1 calc R U . . .
H27B H 0.931742 0.848447 0.733808 0.106 Uiso 1 1 calc R U . . .
C28 C 0.889(2) 0.7894(10) 0.6991(12) 0.084(6) Uani 1 1 d . U . . .
H28A H 0.937718 0.785058 0.677687 0.100 Uiso 1 1 calc R U . . .
H28B H 0.893115 0.769726 0.730057 0.100 Uiso 1 1 calc R U . . .
C29 C 0.8169(19) 0.7793(9) 0.6681(10) 0.073(6) Uani 1 1 d . U . . .
H29A H 0.822156 0.749076 0.653181 0.087 Uiso 1 1 calc R U . . .
H29B H 0.770745 0.779002 0.691848 0.087 Uiso 1 1 calc R U . . .
C30 C 0.8001(18) 0.8108(8) 0.6250(10) 0.062(5) Uani 1 1 d . U . . .
H30A H 0.751187 0.800951 0.606473 0.075 Uiso 1 1 calc R U . . .
H30B H 0.844476 0.809371 0.599899 0.075 Uiso 1 1 calc R U . . .
C31 C 0.8369(16) 1.0053(9) 0.6817(8) 0.059(7) Uani 1 1 d . . . . .
H31A H 0.788881 1.003431 0.703132 0.089 Uiso 1 1 calc R U . . .
H31B H 0.860172 1.035060 0.685126 0.089 Uiso 1 1 calc R U . . .
H31C H 0.875599 0.983056 0.693651 0.089 Uiso 1 1 calc R U . . .
C32 C 0.7419(13) 1.0386(7) 0.5867(8) 0.042(5) Uani 1 1 d . . . . .
H32A H 0.726901 1.032292 0.550389 0.063 Uiso 1 1 calc R U . . .
H32B H 0.768961 1.067431 0.588656 0.063 Uiso 1 1 calc R U . . .
H32C H 0.694001 1.039371 0.608282 0.063 Uiso 1 1 calc R U . . .
C33 C 0.9049(12) 0.9904(7) 0.5709(8) 0.036(5) Uani 1 1 d . . . . .
H33A H 0.941679 0.969333 0.587628 0.054 Uiso 1 1 calc R U . . .
H33B H 0.930118 1.019677 0.568828 0.054 Uiso 1 1 calc R U . . .
H33C H 0.891537 0.979939 0.535590 0.054 Uiso 1 1 calc R U . . .
C34 C 0.7836(11) 1.0122(7) 0.3961(7) 0.030(4) Uani 1 1 d . . . . .
H34 H 0.741301 1.035507 0.392580 0.036 Uiso 1 1 calc R U . . .
C35 C 0.8522(12) 1.0337(7) 0.4273(8) 0.039(5) Uani 1 1 d . . . . .
H35A H 0.832322 1.043275 0.461778 0.047 Uiso 1 1 calc R U . . .
H35B H 0.894457 1.011296 0.433290 0.047 Uiso 1 1 calc R U . . .
C36 C 0.8878(14) 1.0737(7) 0.3994(9) 0.046(5) Uani 1 1 d . . . . .
H36A H 0.933672 1.085276 0.419827 0.055 Uiso 1 1 calc R U . . .
H36B H 0.847495 1.097561 0.396388 0.055 Uiso 1 1 calc R U . . .
C37 C 0.9154(13) 1.0600(7) 0.3448(8) 0.038(5) Uani 1 1 d . . . . .
H37A H 0.958194 1.037516 0.347978 0.046 Uiso 1 1 calc R U . . .
H37B H 0.937376 1.086231 0.326535 0.046 Uiso 1 1 calc R U . . .
C38 C 0.8456(13) 1.0406(8) 0.3123(8) 0.045(5) Uani 1 1 d . . . . .
H38A H 0.804434 1.063711 0.306585 0.055 Uiso 1 1 calc R U . . .
H38B H 0.864981 1.030807 0.277738 0.055 Uiso 1 1 calc R U . . .
C39 C 0.8094(14) 1.0011(7) 0.3412(8) 0.042(5) Uani 1 1 d . . . . .
H39A H 0.762746 0.990152 0.321091 0.050 Uiso 1 1 calc R U . . .
H39B H 0.849127 0.976831 0.342827 0.050 Uiso 1 1 calc R U . . .
C40 C 0.5477(14) 0.8197(8) 0.5775(9) 0.045(5) Uani 1 1 d . . . . .
H40 H 0.501475 0.810913 0.554810 0.054 Uiso 1 1 calc R U . . .
C41 C 0.5814(17) 0.7760(9) 0.5966(10) 0.065(7) Uani 1 1 d . . . . .
H41A H 0.627389 0.781576 0.620243 0.078 Uiso 1 1 calc R U . . .
H41B H 0.600324 0.758343 0.566519 0.078 Uiso 1 1 calc R U . . .
C42 C 0.5173(19) 0.7500(9) 0.6258(9) 0.073(8) Uani 1 1 d . . . . .
H42A H 0.540468 0.721934 0.639267 0.087 Uiso 1 1 calc R U . . .
H42B H 0.473660 0.742204 0.601073 0.087 Uiso 1 1 calc R U . . .
C43 C 0.4827(19) 0.7770(10) 0.6719(9) 0.074(8) Uani 1 1 d . . . . .
H43A H 0.440274 0.759455 0.688946 0.089 Uiso 1 1 calc R U . . .
H43B H 0.525218 0.782580 0.698164 0.089 Uiso 1 1 calc R U . . .
C44 C 0.4497(19) 0.8195(9) 0.6539(11) 0.076(8) Uani 1 1 d . . . . .
H44A H 0.433682 0.837514 0.684406 0.091 Uiso 1 1 calc R U . . .
H44B H 0.401746 0.813998 0.632034 0.091 Uiso 1 1 calc R U . . .
C45 C 0.5098(18) 0.8443(9) 0.6230(10) 0.070(8) Uani 1 1 d . . . . .
H45A H 0.552897 0.853955 0.647118 0.084 Uiso 1 1 calc R U . . .
H45B H 0.484028 0.871495 0.609026 0.084 Uiso 1 1 calc R U . . .
C46 C 0.4530(14) 0.9739(10) 0.6271(9) 0.064(5) Uani 1 1 d . U . . .
H46A H 0.442731 1.006073 0.622288 0.077 Uiso 1 1 calc R U . . .
H46B H 0.421160 0.957203 0.600898 0.077 Uiso 1 1 calc R U . . .
C47 C 0.4324(15) 0.9602(11) 0.6795(9) 0.065(5) Uani 1 1 d . U . . .
H47A H 0.390984 0.980039 0.693852 0.078 Uiso 1 1 calc R U . . .
H47B H 0.411706 0.929408 0.679220 0.078 Uiso 1 1 calc R U . . .
C48 C 0.5033(15) 0.9628(12) 0.7104(9) 0.074(6) Uani 1 1 d . U . . .
H48A H 0.504653 0.938446 0.736402 0.089 Uiso 1 1 calc R U . . .
H48B H 0.505516 0.991524 0.729278 0.089 Uiso 1 1 calc R U . . .
C49 C 0.5726(15) 0.9589(10) 0.6738(8) 0.059(5) Uani 1 1 d . U . . .
H49A H 0.612569 0.982320 0.680967 0.071 Uiso 1 1 calc R U . . .
H49B H 0.598548 0.929456 0.677392 0.071 Uiso 1 1 calc R U . . .
Yb2 Yb 1.07605(5) 0.51441(3) 0.54848(3) 0.0300(2) Uani 1 1 d . . . . .
Si9 Si 0.9686(3) 0.59644(18) 0.5162(2) 0.0279(12) Uani 1 1 d . . . . .
Si10 Si 1.1015(4) 0.65102(19) 0.4598(2) 0.0307(13) Uani 1 1 d . . . . .
Si11 Si 1.1692(3) 0.68878(18) 0.5625(2) 0.0287(12) Uani 1 1 d . . . . .
Si12 Si 1.3175(3) 0.62510(19) 0.5564(2) 0.0297(13) Uani 1 1 d . . . . .
Si13 Si 1.2385(3) 0.56768(18) 0.6448(2) 0.0290(12) Uani 1 1 d . . . . .
Si14 Si 1.3080(4) 0.4726(2) 0.6238(3) 0.0456(16) Uani 1 1 d . . . . .
Si15 Si 1.2279(3) 0.57205(19) 0.4730(2) 0.0303(13) Uani 1 1 d . . . . .
Si16 Si 1.0755(3) 0.61307(18) 0.61996(19) 0.0267(12) Uani 1 1 d D . . . .
O14 O 0.9697(7) 0.5456(4) 0.4984(5) 0.028(3) Uani 1 1 d . . . . .
O15 O 1.0164(9) 0.6305(5) 0.4774(5) 0.040(3) Uani 1 1 d . . . . .
O16 O 1.0181(8) 0.5936(4) 0.5730(5) 0.034(3) Uani 1 1 d . . . . .
O17 O 1.1663(9) 0.6115(5) 0.4532(5) 0.043(3) Uani 1 1 d . . . . .
O18 O 1.1296(8) 0.6868(5) 0.5047(5) 0.038(3) Uani 1 1 d . . . . .
O19 O 1.1151(8) 0.6588(4) 0.6025(5) 0.030(3) Uani 1 1 d . . . . .
O20 O 1.2560(8) 0.6683(5) 0.5610(5) 0.036(3) Uani 1 1 d . . . . .
O21 O 1.3009(8) 0.5985(5) 0.5018(5) 0.037(3) Uani 1 1 d . . . . .
O22 O 1.2991(8) 0.5919(5) 0.6064(5) 0.035(3) Uani 1 1 d . . . . .
O23 O 1.2513(8) 0.5144(4) 0.6429(5) 0.034(3) Uani 1 1 d . . . . .
O24 O 1.1447(8) 0.5750(4) 0.6271(5) 0.032(3) Uani 1 1 d . . . . .
O25 O 1.1847(8) 0.5381(5) 0.5107(5) 0.035(3) Uani 1 1 d . . . . .
O26 O 1.0423(10) 0.4780(5) 0.6308(5) 0.054(4) Uani 1 1 d . U . . .
C50 C 0.8667(11) 0.6234(6) 0.5269(7) 0.026(4) Uani 1 1 d . . . . .
H50 H 0.839687 0.623450 0.491925 0.032 Uiso 1 1 calc R U . . .
C51 C 0.8122(12) 0.5974(6) 0.5629(8) 0.031(4) Uani 1 1 d . . . . .
H51A H 0.804958 0.566913 0.549115 0.037 Uiso 1 1 calc R U . . .
H51B H 0.836975 0.595225 0.598035 0.037 Uiso 1 1 calc R U . . .
C52 C 0.7340(13) 0.6193(7) 0.5669(9) 0.044(5) Uani 1 1 d . . . . .
H52A H 0.702048 0.603647 0.593508 0.053 Uiso 1 1 calc R U . . .
H52B H 0.705535 0.616611 0.532961 0.053 Uiso 1 1 calc R U . . .
C53 C 0.7397(16) 0.6685(8) 0.5816(9) 0.055(6) Uani 1 1 d . . . . .
H53A H 0.686061 0.682092 0.579763 0.066 Uiso 1 1 calc R U . . .
H53B H 0.759646 0.671249 0.618027 0.066 Uiso 1 1 calc R U . . .
C54 C 0.7937(16) 0.6924(7) 0.5462(10) 0.055(6) Uani 1 1 d . . . . .
H54A H 0.800151 0.723389 0.558721 0.066 Uiso 1 1 calc R U . . .
H54B H 0.769230 0.693606 0.510867 0.066 Uiso 1 1 calc R U . . .
C55 C 0.8738(14) 0.6713(6) 0.5426(8) 0.038(4) Uani 1 1 d . . . . .
H55A H 0.901427 0.673436 0.576869 0.046 Uiso 1 1 calc R U . . .
H55B H 0.906091 0.687454 0.516564 0.046 Uiso 1 1 calc R U . . .
C56 C 1.0911(15) 0.6781(8) 0.3945(8) 0.050(5) Uani 1 1 d . . . . .
H56 H 1.077027 0.653928 0.369222 0.060 Uiso 1 1 calc R U . . .
C57 C 1.1666(17) 0.6982(11) 0.3754(11) 0.081(9) Uani 1 1 d . . . . .
H57A H 1.210594 0.676372 0.377688 0.097 Uiso 1 1 calc R U . . .
H57B H 1.181066 0.724500 0.396739 0.097 Uiso 1 1 calc R U . . .
C58 C 1.151(2) 0.7128(10) 0.3147(11) 0.087(10) Uani 1 1 d . . . . .
H58A H 1.200508 0.724916 0.299629 0.104 Uiso 1 1 calc R U . . .
H58B H 1.134575 0.686546 0.293796 0.104 Uiso 1 1 calc R U . . .
C59 C 1.0924(16) 0.7442(9) 0.3132(10) 0.062(6) Uani 1 1 d . . . . .
H59A H 1.086779 0.755467 0.276985 0.074 Uiso 1 1 calc R U . . .
H59B H 1.108377 0.769477 0.335745 0.074 Uiso 1 1 calc R U . . .
C60 C 1.0112(18) 0.7264(12) 0.3314(12) 0.089(9) Uani 1 1 d . . . . .
H60A H 0.994147 0.700691 0.309919 0.107 Uiso 1 1 calc R U . . .
H60B H 0.969912 0.749833 0.329033 0.107 Uiso 1 1 calc R U . . .
C61 C 1.0258(16) 0.7120(9) 0.3901(11) 0.069(7) Uani 1 1 d . . . . .
H61A H 1.040237 0.738483 0.411193 0.082 Uiso 1 1 calc R U . . .
H61B H 0.976053 0.699456 0.404410 0.082 Uiso 1 1 calc R U . . .
C62 C 1.1688(12) 0.7477(7) 0.5873(8) 0.036(4) Uani 1 1 d . . . . .
H62 H 1.192519 0.767703 0.560414 0.043 Uiso 1 1 calc R U . . .
C63 C 1.2187(16) 0.7514(8) 0.6397(10) 0.056(6) Uani 1 1 d . . . . .
H63A H 1.195628 0.731424 0.666249 0.067 Uiso 1 1 calc R U . . .
H63B H 1.274131 0.741696 0.633296 0.067 Uiso 1 1 calc R U . . .
C64 C 1.2194(17) 0.7982(9) 0.6601(9) 0.063(6) Uani 1 1 d . . . . .
H64A H 1.248116 0.799319 0.694091 0.076 Uiso 1 1 calc R U . . .
H64B H 1.247135 0.817931 0.635310 0.076 Uiso 1 1 calc R U . . .
C65 C 1.1354(18) 0.8135(9) 0.6669(10) 0.068(6) Uani 1 1 d . . . . .
H65A H 1.135902 0.845106 0.677768 0.081 Uiso 1 1 calc R U . . .
H65B H 1.110787 0.796128 0.695375 0.081 Uiso 1 1 calc R U . . .
C66 C 1.0837(15) 0.8089(8) 0.6174(10) 0.058(6) Uani 1 1 d . . . . .
H66A H 1.028274 0.817791 0.625200 0.069 Uiso 1 1 calc R U . . .
H66B H 1.104098 0.828866 0.589918 0.069 Uiso 1 1 calc R U . . .
C67 C 1.0846(13) 0.7628(7) 0.5986(9) 0.047(5) Uani 1 1 d . . . . .
H67A H 1.051814 0.760459 0.566290 0.057 Uiso 1 1 calc R U . . .
H67B H 1.060959 0.743061 0.625230 0.057 Uiso 1 1 calc R U . . .
C68 C 1.4217(13) 0.6479(7) 0.5622(9) 0.041(4) Uani 1 1 d . . . . .
H68 H 1.423234 0.665487 0.595365 0.049 Uiso 1 1 calc R U . . .
C69 C 1.4862(14) 0.6132(8) 0.5676(9) 0.047(5) Uani 1 1 d . . . . .
H69A H 1.535161 0.627632 0.581165 0.056 Uiso 1 1 calc R U . . .
H69B H 1.469272 0.590905 0.593689 0.056 Uiso 1 1 calc R U . . .
C70 C 1.5053(15) 0.5898(8) 0.5178(9) 0.050(6) Uani 1 1 d . . . . .
H70A H 1.458569 0.572194 0.506054 0.060 Uiso 1 1 calc R U . . .
H70B H 1.550241 0.569067 0.523777 0.060 Uiso 1 1 calc R U . . .
C71 C 1.5277(14) 0.6238(8) 0.4748(9) 0.047(5) Uani 1 1 d . . . . .
H71A H 1.537458 0.607852 0.441585 0.057 Uiso 1 1 calc R U . . .
H71B H 1.577410 0.639323 0.485045 0.057 Uiso 1 1 calc R U . . .
C72 C 1.4595(15) 0.6586(8) 0.4664(9) 0.055(6) Uani 1 1 d . . . . .
H72A H 1.476161 0.681243 0.440743 0.066 Uiso 1 1 calc R U . . .
H72B H 1.411147 0.643576 0.452656 0.066 Uiso 1 1 calc R U . . .
C73 C 1.4411(14) 0.6808(7) 0.5185(9) 0.046(5) Uani 1 1 d . . . . .
H73A H 1.395369 0.701156 0.513554 0.055 Uiso 1 1 calc R U . . .
H73B H 1.487624 0.698902 0.529426 0.055 Uiso 1 1 calc R U . . .
C74 C 1.2552(11) 0.5898(6) 0.7116(7) 0.027(4) Uani 1 1 d . . . . .
H74 H 1.212532 0.577625 0.734461 0.032 Uiso 1 1 calc R U . . .
C75 C 1.2495(13) 0.6413(7) 0.7133(8) 0.037(5) Uani 1 1 d . . . . .
H75A H 1.291256 0.653943 0.690615 0.044 Uiso 1 1 calc R U . . .
H75B H 1.197201 0.650491 0.698793 0.044 Uiso 1 1 calc R U . . .
C76 C 1.2589(14) 0.6605(9) 0.7668(8) 0.053(6) Uani 1 1 d . . . . .
H76A H 1.214054 0.650715 0.788867 0.064 Uiso 1 1 calc R U . . .
H76B H 1.257311 0.693389 0.764690 0.064 Uiso 1 1 calc R U . . .
C77 C 1.3402(15) 0.6455(9) 0.7929(10) 0.059(6) Uani 1 1 d . . . . .
H77A H 1.385333 0.658901 0.773915 0.071 Uiso 1 1 calc R U . . .
H77B H 1.342689 0.655819 0.829608 0.071 Uiso 1 1 calc R U . . .
C78 C 1.3469(14) 0.5952(8) 0.7913(8) 0.050(5) Uani 1 1 d . . . . .
H78A H 1.305853 0.582145 0.814178 0.060 Uiso 1 1 calc R U . . .
H78B H 1.399776 0.586256 0.805217 0.060 Uiso 1 1 calc R U . . .
C79 C 1.3364(12) 0.5766(7) 0.7358(7) 0.037(5) Uani 1 1 d . . . . .
H79A H 1.340573 0.543807 0.736909 0.044 Uiso 1 1 calc R U . . .
H79B H 1.379729 0.587967 0.713495 0.044 Uiso 1 1 calc R U . . .
C80 C 1.2512(15) 0.4396(8) 0.5758(9) 0.055(6) Uani 1 1 d . . . . .
H80A H 1.199359 0.431655 0.590373 0.083 Uiso 1 1 calc R U . . .
H80B H 1.280814 0.412434 0.567559 0.083 Uiso 1 1 calc R U . . .
H80C H 1.243221 0.457058 0.543846 0.083 Uiso 1 1 calc R U . . .
C81 C 1.327(2) 0.4381(9) 0.6860(12) 0.089(9) Uani 1 1 d . . . . .
H81A H 1.355612 0.456249 0.711859 0.134 Uiso 1 1 calc R U . . .
H81B H 1.358933 0.411921 0.677374 0.134 Uiso 1 1 calc R U . . .
H81C H 1.275902 0.428558 0.700529 0.134 Uiso 1 1 calc R U . . .
C82 C 1.3996(16) 0.4950(9) 0.5978(14) 0.091(10) Uani 1 1 d . . . . .
H82A H 1.387275 0.513869 0.567510 0.136 Uiso 1 1 calc R U . . .
H82B H 1.434267 0.470549 0.586974 0.136 Uiso 1 1 calc R U . . .
H82C H 1.426688 0.512734 0.624700 0.136 Uiso 1 1 calc R U . . .
C83 C 1.2655(13) 0.5445(7) 0.4125(8) 0.037(4) Uani 1 1 d . . . . .
H83 H 1.221036 0.526212 0.397659 0.044 Uiso 1 1 calc R U . . .
C84 C 1.2920(18) 0.5766(8) 0.3703(10) 0.064(7) Uani 1 1 d . . . . .
H84A H 1.337568 0.594449 0.383388 0.077 Uiso 1 1 calc R U . . .
H84B H 1.247869 0.597199 0.361544 0.077 Uiso 1 1 calc R U . . .
C85 C 1.3179(18) 0.5496(10) 0.3186(9) 0.072(8) Uani 1 1 d . . . . .
H85A H 1.271830 0.533082 0.303946 0.087 Uiso 1 1 calc R U . . .
H85B H 1.337505 0.570414 0.291644 0.087 Uiso 1 1 calc R U . . .
C86 C 1.3824(19) 0.5181(9) 0.3344(10) 0.076(8) Uani 1 1 d . . . . .
H86A H 1.398895 0.501080 0.303238 0.092 Uiso 1 1 calc R U . . .
H86B H 1.429003 0.535549 0.346585 0.092 Uiso 1 1 calc R U . . .
C87 C 1.3607(19) 0.4861(9) 0.3761(9) 0.070(8) Uani 1 1 d . . . . .
H87A H 1.407005 0.467093 0.385029 0.085 Uiso 1 1 calc R U . . .
H87B H 1.316574 0.466790 0.363945 0.085 Uiso 1 1 calc R U . . .
C88 C 1.3347(14) 0.5132(8) 0.4248(8) 0.045(5) Uani 1 1 d . . . . .
H88A H 1.318719 0.492349 0.452769 0.053 Uiso 1 1 calc R U . . .
H88B H 1.380563 0.530731 0.437993 0.053 Uiso 1 1 calc R U . . .
C89 C 1.015(4) 0.6180(12) 0.6800(19) 0.074(5) Uani 0.63(2) 1 d D U P A 1
H89 H 1.062607 0.622427 0.702932 0.089 Uiso 0.63(2) 1 calc R U P A 1
C90 C 0.991(3) 0.5766(13) 0.7074(16) 0.077(6) Uani 0.63(2) 1 d D U P A 1
H90A H 1.039792 0.559532 0.716376 0.092 Uiso 0.63(2) 1 calc R U P A 1
H90B H 0.958816 0.558145 0.683090 0.092 Uiso 0.63(2) 1 calc R U P A 1
C91 C 0.945(3) 0.5838(13) 0.7561(16) 0.077(6) Uani 0.63(2) 1 d D U P A 1
H91A H 0.905401 0.559351 0.758407 0.093 Uiso 0.63(2) 1 calc R U P A 1
H91B H 0.982065 0.580224 0.785915 0.093 Uiso 0.63(2) 1 calc R U P A 1
C92 C 0.901(3) 0.6262(11) 0.7643(19) 0.078(6) Uani 0.63(2) 1 d D U P A 1
H92A H 0.888677 0.628909 0.801936 0.094 Uiso 0.63(2) 1 calc R U P A 1
H92B H 0.849161 0.624327 0.745206 0.094 Uiso 0.63(2) 1 calc R U P A 1
C93 C 0.942(3) 0.6674(14) 0.7473(15) 0.077(6) Uani 0.63(2) 1 d D U P A 1
H93A H 0.984309 0.675097 0.773306 0.092 Uiso 0.63(2) 1 calc R U P A 1
H93B H 0.903935 0.692300 0.745757 0.092 Uiso 0.63(2) 1 calc R U P A 1
C94 C 0.979(3) 0.6614(13) 0.6950(15) 0.075(6) Uani 0.63(2) 1 d D U P A 1
H94A H 0.938132 0.668673 0.668432 0.090 Uiso 0.63(2) 1 calc R U P A 1
H94B H 1.021765 0.684072 0.691830 0.090 Uiso 0.63(2) 1 calc R U P A 1
C95 C 1.019(6) 0.620(3) 0.681(3) 0.074(6) Uani 0.37(2) 1 d D U P A 2
H95 H 0.982165 0.641842 0.665063 0.089 Uiso 0.37(2) 1 calc R U P A 2
C96 C 1.034(4) 0.648(2) 0.727(2) 0.076(6) Uani 0.37(2) 1 d D U P A 2
H96A H 1.045028 0.679134 0.715904 0.091 Uiso 0.37(2) 1 calc R U P A 2
H96B H 1.081028 0.637335 0.747221 0.091 Uiso 0.37(2) 1 calc R U P A 2
C97 C 0.962(4) 0.647(2) 0.761(3) 0.076(6) Uani 0.37(2) 1 d D U P A 2
H97A H 0.921952 0.666428 0.743410 0.092 Uiso 0.37(2) 1 calc R U P A 2
H97B H 0.977115 0.662469 0.793867 0.092 Uiso 0.37(2) 1 calc R U P A 2
C98 C 0.920(5) 0.606(2) 0.776(2) 0.077(6) Uani 0.37(2) 1 d D U P A 2
H98A H 0.956425 0.586403 0.796419 0.092 Uiso 0.37(2) 1 calc R U P A 2
H98B H 0.873880 0.613182 0.798296 0.092 Uiso 0.37(2) 1 calc R U P A 2
C99 C 0.892(5) 0.582(3) 0.728(2) 0.077(6) Uani 0.37(2) 1 d D U P A 2
H99A H 0.883205 0.550275 0.736339 0.093 Uiso 0.37(2) 1 calc R U P A 2
H99B H 0.841112 0.595019 0.715844 0.093 Uiso 0.37(2) 1 calc R U P A 2
C100 C 0.954(4) 0.587(3) 0.688(3) 0.076(6) Uani 0.37(2) 1 d D U P A 2
H10A H 0.981064 0.557591 0.687411 0.091 Uiso 0.37(2) 1 calc R U P A 2
H10B H 0.923383 0.588352 0.654498 0.091 Uiso 0.37(2) 1 calc R U P A 2
C101 C 1.0776(18) 0.4634(10) 0.6777(10) 0.075(6) Uani 1 1 d . U . . .
H10C H 1.105962 0.488134 0.695309 0.090 Uiso 1 1 calc R U . . .
H10D H 1.116171 0.439234 0.670844 0.090 Uiso 1 1 calc R U . . .
C102 C 1.0132(19) 0.4473(12) 0.7099(11) 0.091(7) Uani 1 1 d . U . . .
H10E H 1.008569 0.465921 0.741691 0.109 Uiso 1 1 calc R U . . .
H10F H 1.023575 0.416288 0.720832 0.109 Uiso 1 1 calc R U . . .
C103 C 0.935(2) 0.4499(12) 0.6769(11) 0.093(7) Uani 1 1 d . U . . .
H10G H 0.904091 0.421758 0.678760 0.112 Uiso 1 1 calc R U . . .
H10H H 0.900334 0.474766 0.688358 0.112 Uiso 1 1 calc R U . . .
C104 C 0.9630(18) 0.4570(11) 0.6280(11) 0.085(6) Uani 1 1 d . U . . .
H10I H 0.925847 0.476379 0.608283 0.102 Uiso 1 1 calc R U . . .
H10J H 0.966888 0.428271 0.609233 0.102 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Yb1 Yb1 3.6253(19) 3_676 ?
Yb1 Si1 3.152(6) . ?
Yb1 O1 2.280(13) 3_676 ?
Yb1 O1 2.397(13) . ?
Yb1 O3 2.621(13) . ?
Yb1 O12 2.193(12) . ?
Yb1 O13 2.423(13) . ?
Si1 O1 1.618(14) . ?
Si1 O2 1.650(13) . ?
Si1 O3 1.699(14) . ?
Si1 C1 1.89(2) . ?
Si2 O2 1.628(13) . ?
Si2 O4 1.578(15) . ?
Si2 O5 1.639(14) . ?
Si2 C7 1.90(2) . ?
Si3 O5 1.618(14) . ?
Si3 O6 1.642(14) . ?
Si3 O7 1.630(15) . ?
Si3 C13 1.84(2) . ?
Si4 O7 1.616(15) . ?
Si4 O8 1.637(14) . ?
Si4 O9 1.596(15) . ?
Si4 C19 1.85(2) . ?
Si5 O8 1.640(14) . ?
Si5 O10 1.611(15) . ?
Si5 O11 1.652(15) . ?
Si5 C25 1.84(2) . ?
Si6 O11 1.630(16) . ?
Si6 C31 1.89(2) . ?
Si6 C32 1.85(2) . ?
Si6 C33 1.91(2) . ?
Si7 O4 1.672(14) . ?
Si7 O9 1.665(15) . ?
Si7 O12 1.578(13) . ?
Si7 C34 1.86(2) . ?
Si8 O3 1.611(14) . ?
Si8 O6 1.639(14) . ?
Si8 O10 1.640(15) . ?
Si8 C40 1.83(2) . ?
O13 C46 1.47(3) . ?
O13 C49 1.46(3) . ?
C1 C2 1.56(3) . ?
C1 C6 1.55(3) . ?
C2 C3 1.50(3) . ?
C3 C4 1.50(3) . ?
C4 C5 1.57(3) . ?
C5 C6 1.57(3) . ?
C7 C8 1.44(3) . ?
C7 C12 1.54(3) . ?
C8 C9 1.56(3) . ?
C9 C10 1.48(4) . ?
C10 C11 1.50(3) . ?
C11 C12 1.57(3) . ?
C13 C14 1.53(3) . ?
C13 C18 1.56(3) . ?
C14 C15 1.50(3) . ?
C15 C16 1.55(4) . ?
C16 C17 1.53(3) . ?
C17 C18 1.57(3) . ?
C19 C20 1.52(3) . ?
C19 C24 1.57(3) . ?
C20 C21 1.60(3) . ?
C21 C22 1.48(3) . ?
C22 C23 1.50(3) . ?
C23 C24 1.50(3) . ?
C25 C26 1.53(3) . ?
C25 C30 1.49(3) . ?
C26 C27 1.51(4) . ?
C27 C28 1.57(4) . ?
C28 C29 1.48(4) . ?
C29 C30 1.48(3) . ?
C34 C35 1.54(3) . ?
C34 C39 1.51(3) . ?
C35 C36 1.52(3) . ?
C36 C37 1.53(3) . ?
C37 C38 1.54(3) . ?
C38 C39 1.53(3) . ?
C40 C41 1.51(3) . ?
C40 C45 1.52(3) . ?
C41 C42 1.53(3) . ?
C42 C43 1.55(4) . ?
C43 C44 1.47(4) . ?
C44 C45 1.49(3) . ?
C46 C47 1.45(3) . ?
C47 C48 1.42(3) . ?
C48 C49 1.51(3) . ?
Yb2 Yb2 3.6470(18) 3_766 ?
Yb2 Si9 3.162(6) . ?
Yb2 Si16 3.487(5) . ?
Yb2 O14 2.380(12) . ?
Yb2 O14 2.294(12) 3_766 ?
Yb2 O16 2.651(14) . ?
Yb2 O24 2.941(12) . ?
Yb2 O25 2.193(13) . ?
Yb2 O26 2.445(14) . ?
Si9 O14 1.597(13) . ?
Si9 O15 1.642(14) . ?
Si9 O16 1.670(13) . ?
Si9 C50 1.91(2) . ?
Si10 O15 1.624(15) . ?
Si10 O17 1.622(15) . ?
Si10 O18 1.640(15) . ?
Si10 C56 1.87(2) . ?
Si11 O18 1.615(14) . ?
Si11 O19 1.645(13) . ?
Si11 O20 1.583(15) . ?
Si11 C62 1.88(2) . ?
Si12 O20 1.665(15) . ?
Si12 O21 1.631(14) . ?
Si12 O22 1.654(14) . ?
Si12 C68 1.88(2) . ?
Si13 O22 1.597(14) . ?
Si13 O23 1.617(14) . ?
Si13 O24 1.650(14) . ?
Si13 C74 1.854(18) . ?
Si14 O23 1.654(15) . ?
Si14 C80 1.84(2) . ?
Si14 C81 1.92(3) . ?
Si14 C82 1.81(3) . ?
Si15 O17 1.650(15) . ?
Si15 O21 1.631(15) . ?
Si15 O25 1.584(14) . ?
Si15 C83 1.87(2) . ?
Si16 O16 1.639(13) . ?
Si16 O19 1.593(14) . ?
Si16 O24 1.640(14) . ?
Si16 C89 1.86(2) . ?
Si16 C95 1.85(3) . ?
O26 C101 1.40(3) . ?
O26 C104 1.47(3) . ?
C50 C51 1.52(3) . ?
C50 C55 1.50(3) . ?
C51 C52 1.47(3) . ?
C52 C53 1.53(3) . ?
C53 C54 1.48(3) . ?
C54 C55 1.49(3) . ?
C56 C57 1.49(3) . ?
C56 C61 1.50(3) . ?
C57 C58 1.63(4) . ?
C58 C59 1.36(3) . ?
C59 C60 1.54(4) . ?
C60 C61 1.58(4) . ?
C62 C63 1.58(3) . ?
C62 C67 1.51(3) . ?
C63 C64 1.50(3) . ?
C64 C65 1.50(4) . ?
C65 C66 1.53(4) . ?
C66 C67 1.47(3) . ?
C68 C69 1.51(3) . ?
C68 C73 1.53(3) . ?
C69 C70 1.49(3) . ?
C70 C71 1.55(3) . ?
C71 C72 1.57(3) . ?
C72 C73 1.52(3) . ?
C74 C75 1.55(3) . ?
C74 C79 1.54(3) . ?
C75 C76 1.49(3) . ?
C76 C77 1.58(3) . ?
C77 C78 1.52(3) . ?
C78 C79 1.53(3) . ?
C83 C84 1.52(3) . ?
C83 C88 1.53(3) . ?
C84 C85 1.62(3) . ?
C85 C86 1.49(3) . ?
C86 C87 1.48(3) . ?
C87 C88 1.56(3) . ?
C89 C90 1.487(18) . ?
C89 C94 1.486(19) . ?
C90 C91 1.491(18) . ?
C91 C92 1.489(19) . ?
C92 C93 1.491(19) . ?
C93 C94 1.492(19) . ?
C95 C96 1.48(2) . ?
C95 C100 1.482(19) . ?
C96 C97 1.49(2) . ?
C97 C98 1.49(2) . ?
C98 C99 1.48(2) . ?
C99 C100 1.484(19) . ?
C101 C102 1.45(4) . ?
C102 C103 1.56(4) . ?
C103 C104 1.36(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
Si1 Yb1 Yb1 68.21(10) . 3_676 ?
O1 Yb1 Yb1 40.4(3) 3_676 3_676 ?
O1 Yb1 Yb1 38.0(3) . 3_676 ?
O1 Yb1 Si1 30.2(3) . . ?
O1 Yb1 Si1 108.6(3) 3_676 . ?
O1 Yb1 O1 78.4(5) 3_676 . ?
O1 Yb1 O3 138.9(4) 3_676 . ?
O1 Yb1 O3 61.9(4) . . ?
O1 Yb1 O13 89.5(5) 3_676 . ?
O1 Yb1 O13 110.8(5) . . ?
O3 Yb1 Yb1 99.3(3) . 3_676 ?
O3 Yb1 Si1 32.6(3) . . ?
O12 Yb1 Yb1 108.5(3) . 3_676 ?
O12 Yb1 Si1 92.6(4) . . ?
O12 Yb1 O1 106.7(5) . 3_676 ?
O12 Yb1 O1 101.9(5) . . ?
O12 Yb1 O3 92.0(4) . . ?
O12 Yb1 O13 145.9(5) . . ?
O13 Yb1 Yb1 103.3(4) . 3_676 ?
O13 Yb1 Si1 110.7(4) . . ?
O13 Yb1 O3 94.8(5) . . ?
O1 Si1 Yb1 48.1(5) . . ?
O1 Si1 O2 111.8(7) . . ?
O1 Si1 O3 102.4(7) . . ?
O1 Si1 C1 115.2(8) . . ?
O2 Si1 Yb1 112.1(5) . . ?
O2 Si1 O3 109.3(7) . . ?
O2 Si1 C1 106.6(8) . . ?
O3 Si1 Yb1 56.2(5) . . ?
O3 Si1 C1 111.5(8) . . ?
C1 Si1 Yb1 141.2(6) . . ?
O2 Si2 O5 109.0(7) . . ?
O2 Si2 C7 107.5(8) . . ?
O4 Si2 O2 111.0(7) . . ?
O4 Si2 O5 110.7(8) . . ?
O4 Si2 C7 110.0(9) . . ?
O5 Si2 C7 108.6(9) . . ?
O5 Si3 O6 109.0(7) . . ?
O5 Si3 O7 109.3(7) . . ?
O5 Si3 C13 109.9(11) . . ?
O6 Si3 C13 110.3(9) . . ?
O7 Si3 O6 109.9(7) . . ?
O7 Si3 C13 108.5(10) . . ?
O7 Si4 O8 108.3(7) . . ?
O7 Si4 C19 109.2(9) . . ?
O8 Si4 C19 108.8(8) . . ?
O9 Si4 O7 110.4(8) . . ?
O9 Si4 O8 110.8(7) . . ?
O9 Si4 C19 109.3(9) . . ?
O8 Si5 O11 109.0(8) . . ?
O8 Si5 C25 109.8(10) . . ?
O10 Si5 O8 110.6(7) . . ?
O10 Si5 O11 106.2(8) . . ?
O10 Si5 C25 109.5(10) . . ?
O11 Si5 C25 111.8(9) . . ?
O11 Si6 C31 107.6(10) . . ?
O11 Si6 C32 106.3(9) . . ?
O11 Si6 C33 111.0(8) . . ?
C31 Si6 C33 109.4(11) . . ?
C32 Si6 C31 110.0(11) . . ?
C32 Si6 C33 112.3(10) . . ?
O4 Si7 C34 106.4(8) . . ?
O9 Si7 O4 105.8(8) . . ?
O9 Si7 C34 104.6(8) . . ?
O12 Si7 O4 112.8(8) . . ?
O12 Si7 O9 110.8(7) . . ?
O12 Si7 C34 115.6(8) . . ?
O3 Si8 O6 113.3(7) . . ?
O3 Si8 O10 101.4(7) . . ?
O3 Si8 C40 111.0(9) . . ?
O6 Si8 O10 110.0(8) . . ?
O6 Si8 C40 108.9(9) . . ?
O10 Si8 C40 112.1(9) . . ?
Yb1 O1 Yb1 101.6(5) 3_676 . ?
Si1 O1 Yb1 101.7(7) . . ?
Si1 O1 Yb1 156.7(8) . 3_676 ?
Si2 O2 Si1 142.0(8) . . ?
Si1 O3 Yb1 91.1(6) . . ?
Si8 O3 Yb1 116.0(7) . . ?
Si8 O3 Si1 152.2(9) . . ?
Si2 O4 Si7 148.9(9) . . ?
Si3 O5 Si2 151.0(9) . . ?
Si8 O6 Si3 142.5(9) . . ?
Si4 O7 Si3 146.2(9) . . ?
Si5 O8 Si4 150.3(9) . . ?
Si4 O9 Si7 147.4(10) . . ?
Si5 O10 Si8 151.0(10) . . ?
Si6 O11 Si5 144.2(10) . . ?
Si7 O12 Yb1 153.6(9) . . ?
C46 O13 Yb1 112.9(11) . . ?
C49 O13 Yb1 138.2(13) . . ?
C49 O13 C46 107.9(16) . . ?
C2 C1 Si1 111.2(13) . . ?
C6 C1 Si1 110.6(14) . . ?
C6 C1 C2 112.1(16) . . ?
C3 C2 C1 109.5(17) . . ?
C4 C3 C2 115(2) . . ?
C3 C4 C5 109.2(19) . . ?
C6 C5 C4 110.5(18) . . ?
C1 C6 C5 109.1(19) . . ?
C8 C7 Si2 112.7(16) . . ?
C8 C7 C12 111.1(19) . . ?
C12 C7 Si2 107.8(14) . . ?
C7 C8 C9 108(2) . . ?
C10 C9 C8 108(2) . . ?
C9 C10 C11 107(3) . . ?
C10 C11 C12 107(2) . . ?
C7 C12 C11 108(2) . . ?
C14 C13 Si3 113.9(17) . . ?
C14 C13 C18 111(2) . . ?
C18 C13 Si3 111.0(16) . . ?
C15 C14 C13 115(2) . . ?
C14 C15 C16 108(2) . . ?
C17 C16 C15 111(2) . . ?
C16 C17 C18 112(2) . . ?
C13 C18 C17 108(2) . . ?
C20 C19 Si4 111.8(16) . . ?
C20 C19 C24 107.5(18) . . ?
C24 C19 Si4 111.7(14) . . ?
C19 C20 C21 113(2) . . ?
C22 C21 C20 111(2) . . ?
C21 C22 C23 112(2) . . ?
C22 C23 C24 110(2) . . ?
C23 C24 C19 113(2) . . ?
C26 C25 Si5 114.6(18) . . ?
C30 C25 Si5 114.8(17) . . ?
C30 C25 C26 107(2) . . ?
C27 C26 C25 112(2) . . ?
C26 C27 C28 115(2) . . ?
C29 C28 C27 106(2) . . ?
C30 C29 C28 115(3) . . ?
C29 C30 C25 115(2) . . ?
C35 C34 Si7 112.3(13) . . ?
C39 C34 Si7 114.4(14) . . ?
C39 C34 C35 110.7(17) . . ?
C36 C35 C34 112.6(17) . . ?
C35 C36 C37 109.8(18) . . ?
C36 C37 C38 111.0(18) . . ?
C39 C38 C37 109.6(18) . . ?
C34 C39 C38 113.4(17) . . ?
C41 C40 Si8 117.9(17) . . ?
C41 C40 C45 110(2) . . ?
C45 C40 Si8 115.1(16) . . ?
C40 C41 C42 110(2) . . ?
C41 C42 C43 112(2) . . ?
C44 C43 C42 111(2) . . ?
C43 C44 C45 110(3) . . ?
C44 C45 C40 117(2) . . ?
C47 C46 O13 106.1(19) . . ?
C48 C47 C46 107(2) . . ?
C47 C48 C49 107(2) . . ?
O13 C49 C48 105.1(19) . . ?
Si9 Yb2 Yb2 67.30(10) . 3_766 ?
Si9 Yb2 Si16 57.85(13) . . ?
Si16 Yb2 Yb2 123.61(10) . 3_766 ?
O14 Yb2 Yb2 39.6(3) 3_766 3_766 ?
O14 Yb2 Yb2 37.9(3) . 3_766 ?
O14 Yb2 Si9 29.4(3) . . ?
O14 Yb2 Si9 106.9(3) 3_766 . ?
O14 Yb2 Si16 160.2(3) 3_766 . ?
O14 Yb2 Si16 86.6(3) . . ?
O14 Yb2 O14 77.5(5) 3_766 . ?
O14 Yb2 O16 135.1(4) 3_766 . ?
O14 Yb2 O16 59.9(4) . . ?
O14 Yb2 O24 114.3(4) . . ?
O14 Yb2 O24 166.3(4) 3_766 . ?
O14 Yb2 O26 91.1(5) 3_766 . ?
O14 Yb2 O26 117.5(5) . . ?
O16 Yb2 Yb2 96.8(3) . 3_766 ?
O16 Yb2 Si9 31.9(3) . . ?
O16 Yb2 Si16 26.8(3) . . ?
O16 Yb2 O24 54.8(4) . . ?
O24 Yb2 Yb2 151.6(3) . 3_766 ?
O24 Yb2 Si9 85.0(3) . . ?
O24 Yb2 Si16 28.0(3) . . ?
O25 Yb2 Yb2 110.9(3) . 3_766 ?
O25 Yb2 Si9 96.1(4) . . ?
O25 Yb2 Si16 87.8(4) . . ?
O25 Yb2 O14 107.5(5) . 3_766 ?
O25 Yb2 O14 104.9(5) . . ?
O25 Yb2 O16 96.9(5) . . ?
O25 Yb2 O24 77.2(4) . . ?
O25 Yb2 O26 136.6(5) . . ?
O26 Yb2 Yb2 108.2(4) . 3_766 ?
O26 Yb2 Si9 115.9(4) . . ?
O26 Yb2 Si16 85.8(4) . . ?
O26 Yb2 O16 96.3(5) . . ?
O26 Yb2 O24 77.4(4) . . ?
O14 Si9 Yb2 47.0(4) . . ?
O14 Si9 O15 114.6(8) . . ?
O14 Si9 O16 101.1(7) . . ?
O14 Si9 C50 117.4(8) . . ?
O15 Si9 Yb2 111.3(6) . . ?
O15 Si9 O16 108.4(7) . . ?
O15 Si9 C50 105.4(8) . . ?
O16 Si9 Yb2 57.0(5) . . ?
O16 Si9 C50 109.6(8) . . ?
C50 Si9 Yb2 143.3(6) . . ?
O15 Si10 O18 107.7(8) . . ?
O15 Si10 C56 109.9(10) . . ?
O17 Si10 O15 110.0(8) . . ?
O17 Si10 O18 111.4(8) . . ?
O17 Si10 C56 106.5(9) . . ?
O18 Si10 C56 111.4(10) . . ?
O18 Si11 O19 108.9(7) . . ?
O18 Si11 C62 110.0(9) . . ?
O19 Si11 C62 107.6(8) . . ?
O20 Si11 O18 109.5(8) . . ?
O20 Si11 O19 108.4(7) . . ?
O20 Si11 C62 112.4(9) . . ?
O20 Si12 C68 106.6(9) . . ?
O21 Si12 O20 110.1(8) . . ?
O21 Si12 O22 109.5(7) . . ?
O21 Si12 C68 113.4(9) . . ?
O22 Si12 O20 107.2(7) . . ?
O22 Si12 C68 109.8(9) . . ?
O22 Si13 O23 110.4(8) . . ?
O22 Si13 O24 112.4(7) . . ?
O22 Si13 C74 108.2(8) . . ?
O23 Si13 O24 104.5(7) . . ?
O23 Si13 C74 111.4(8) . . ?
O24 Si13 C74 109.9(8) . . ?
O23 Si14 C80 108.2(10) . . ?
O23 Si14 C81 104.9(11) . . ?
O23 Si14 C82 108.6(10) . . ?
C80 Si14 C81 110.0(13) . . ?
C82 Si14 C80 113.0(14) . . ?
C82 Si14 C81 111.8(16) . . ?
O17 Si15 C83 106.3(8) . . ?
O21 Si15 O17 104.7(8) . . ?
O21 Si15 C83 109.4(9) . . ?
O25 Si15 O17 111.2(8) . . ?
O25 Si15 O21 112.6(7) . . ?
O25 Si15 C83 112.2(9) . . ?
O16 Si16 Yb2 46.9(5) . . ?
O16 Si16 O24 104.0(7) . . ?
O16 Si16 C89 108(2) . . ?
O16 Si16 C95 111(3) . . ?
O19 Si16 Yb2 125.7(5) . . ?
O19 Si16 O16 110.3(7) . . ?
O19 Si16 O24 109.6(7) . . ?
O19 Si16 C89 113.4(13) . . ?
O19 Si16 C95 111(2) . . ?
O24 Si16 Yb2 57.2(5) . . ?
O24 Si16 C89 111.0(19) . . ?
O24 Si16 C95 110(4) . . ?
C89 Si16 Yb2 120.4(14) . . ?
C95 Si16 Yb2 123(2) . . ?
Yb2 O14 Yb2 102.5(5) 3_766 . ?
Si9 O14 Yb2 103.5(6) . . ?
Si9 O14 Yb2 153.9(7) . 3_766 ?
Si10 O15 Si9 147.3(10) . . ?
Si9 O16 Yb2 91.2(6) . . ?
Si16 O16 Yb2 106.3(6) . . ?
Si16 O16 Si9 154.6(9) . . ?
Si10 O17 Si15 156.1(9) . . ?
Si11 O18 Si10 141.1(10) . . ?
Si16 O19 Si11 152.0(9) . . ?
Si11 O20 Si12 151.3(10) . . ?
Si15 O21 Si12 138.4(9) . . ?
Si13 O22 Si12 151.2(10) . . ?
Si13 O23 Si14 147.0(9) . . ?
Si13 O24 Yb2 118.1(6) . . ?
Si16 O24 Yb2 94.8(6) . . ?
Si16 O24 Si13 142.9(9) . . ?
Si15 O25 Yb2 150.0(8) . . ?
C101 O26 Yb2 141.0(15) . . ?
C101 O26 C104 106.2(19) . . ?
C104 O26 Yb2 111.6(14) . . ?
C51 C50 Si9 114.4(13) . . ?
C55 C50 Si9 112.1(14) . . ?
C55 C50 C51 112.2(16) . . ?
C52 C51 C50 110.8(17) . . ?
C51 C52 C53 113(2) . . ?
C54 C53 C52 111.0(19) . . ?
C53 C54 C55 112.9(19) . . ?
C54 C55 C50 110.9(19) . . ?
C57 C56 Si10 113.5(18) . . ?
C57 C56 C61 109(2) . . ?
C61 C56 Si10 115.1(16) . . ?
C56 C57 C58 107(2) . . ?
C59 C58 C57 109(2) . . ?
C58 C59 C60 113(3) . . ?
C59 C60 C61 105(2) . . ?
C56 C61 C60 111(2) . . ?
C63 C62 Si11 110.5(15) . . ?
C67 C62 Si11 110.6(14) . . ?
C67 C62 C63 107.9(19) . . ?
C64 C63 C62 111(2) . . ?
C65 C64 C63 109(2) . . ?
C64 C65 C66 114(2) . . ?
C67 C66 C65 110(2) . . ?
C66 C67 C62 110.9(19) . . ?
C69 C68 Si12 114.8(15) . . ?
C69 C68 C73 110.9(19) . . ?
C73 C68 Si12 112.5(15) . . ?
C70 C69 C68 114(2) . . ?
C69 C70 C71 110.5(19) . . ?
C70 C71 C72 110.8(19) . . ?
C73 C72 C71 109(2) . . ?
C72 C73 C68 113.7(19) . . ?
C75 C74 Si13 112.1(13) . . ?
C79 C74 Si13 113.7(13) . . ?
C79 C74 C75 107.4(17) . . ?
C76 C75 C74 114.0(18) . . ?
C75 C76 C77 111.0(19) . . ?
C78 C77 C76 109.8(19) . . ?
C77 C78 C79 112(2) . . ?
C78 C79 C74 111.8(17) . . ?
C84 C83 Si15 114.2(15) . . ?
C84 C83 C88 108.1(19) . . ?
C88 C83 Si15 111.5(14) . . ?
C83 C84 C85 110.3(19) . . ?
C86 C85 C84 107(2) . . ?
C87 C86 C85 115(2) . . ?
C86 C87 C88 108(2) . . ?
C83 C88 C87 112.2(18) . . ?
C90 C89 Si16 118(2) . . ?
C94 C89 Si16 121(2) . . ?
C94 C89 C90 120(3) . . ?
C89 C90 C91 115(3) . . ?
C92 C91 C90 120(3) . . ?
C91 C92 C93 116(4) . . ?
C92 C93 C94 111(3) . . ?
C89 C94 C93 121(3) . . ?
C96 C95 Si16 131(4) . . ?
C96 C95 C100 115(4) . . ?
C100 C95 Si16 114(3) . . ?
C95 C96 C97 108(5) . . ?
C96 C97 C98 124(6) . . ?
C99 C98 C97 110(6) . . ?
C100 C99 C98 108(6) . . ?
C95 C100 C99 132(5) . . ?
O26 C101 C102 106(2) . . ?
C101 C102 C103 108(2) . . ?
C104 C103 C102 102(3) . . ?
C103 C104 O26 110(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Yb1 Si1 O1 Yb1 178(2) . . . 3_676 ?
Yb1 Si1 O2 Si2 45.5(15) . . . . ?
Yb1 Si1 O3 Si8 -168(2) . . . . ?
Yb1 Si1 C1 C2 0(2) . . . . ?
Yb1 Si1 C1 C6 -125.6(12) . . . . ?
Yb1 O13 C46 C47 171.3(18) . . . . ?
Yb1 O13 C49 C48 170.5(18) . . . . ?
Si1 C1 C2 C3 -179.2(16) . . . . ?
Si1 C1 C6 C5 -179.7(13) . . . . ?
Si2 C7 C8 C9 179.7(18) . . . . ?
Si2 C7 C12 C11 178.0(18) . . . . ?
Si3 C13 C14 C15 179(2) . . . . ?
Si3 C13 C18 C17 179.7(18) . . . . ?
Si4 C19 C20 C21 173.6(18) . . . . ?
Si4 C19 C24 C23 -178.4(18) . . . . ?
Si5 C25 C26 C27 178(2) . . . . ?
Si5 C25 C30 C29 -176(2) . . . . ?
Si7 C34 C35 C36 -177.4(14) . . . . ?
Si7 C34 C39 C38 178.9(15) . . . . ?
Si8 C40 C41 C42 -173.0(18) . . . . ?
Si8 C40 C45 C44 171(2) . . . . ?
O1 Si1 O2 Si2 97.7(15) . . . . ?
O1 Si1 O3 Yb1 -14.4(6) . . . . ?
O1 Si1 O3 Si8 177.7(17) . . . . ?
O1 Si1 C1 C2 -54.1(16) . . . . ?
O1 Si1 C1 C6 -179.3(12) . . . . ?
O2 Si1 O1 Yb1 78(2) . . . 3_676 ?
O2 Si1 O1 Yb1 -100.8(7) . . . . ?
O2 Si1 O3 Yb1 104.3(6) . . . . ?
O2 Si1 O3 Si8 -63.6(19) . . . . ?
O2 Si1 C1 C2 -178.7(13) . . . . ?
O2 Si1 C1 C6 56.0(15) . . . . ?
O2 Si2 O4 Si7 71(2) . . . . ?
O2 Si2 O5 Si3 -81.1(19) . . . . ?
O3 Si1 O1 Yb1 -165.6(18) . . . 3_676 ?
O3 Si1 O1 Yb1 16.1(7) . . . . ?
O3 Si1 O2 Si2 -14.9(17) . . . . ?
O3 Si1 C1 C2 62.1(15) . . . . ?
O3 Si1 C1 C6 -63.2(14) . . . . ?
O3 Si8 O6 Si3 43.9(18) . . . . ?
O3 Si8 O10 Si5 -134.5(18) . . . . ?
O3 Si8 C40 C41 163.4(19) . . . . ?
O3 Si8 C40 C45 -65(2) . . . . ?
O4 Si2 O2 Si1 -63.5(16) . . . . ?
O4 Si2 O5 Si3 41(2) . . . . ?
O4 Si7 O9 Si4 -70.6(19) . . . . ?
O4 Si7 O12 Yb1 14(2) . . . . ?
O4 Si7 C34 C35 -163.9(13) . . . . ?
O4 Si7 C34 C39 -36.6(17) . . . . ?
O5 Si2 O2 Si1 58.7(16) . . . . ?
O5 Si2 O4 Si7 -50(2) . . . . ?
O5 Si3 O6 Si8 -51.0(17) . . . . ?
O5 Si3 O7 Si4 66.7(17) . . . . ?
O5 Si3 C13 C14 60(2) . . . . ?
O5 Si3 C13 C18 -66(2) . . . . ?
O6 Si3 O5 Si2 63(2) . . . . ?
O6 Si3 O7 Si4 -52.8(17) . . . . ?
O6 Si3 C13 C14 179.9(19) . . . . ?
O6 Si3 C13 C18 54(2) . . . . ?
O6 Si8 O3 Yb1 -125.1(7) . . . . ?
O6 Si8 O3 Si1 41(2) . . . . ?
O6 Si8 O10 Si5 -14(2) . . . . ?
O6 Si8 C40 C41 38(2) . . . . ?
O6 Si8 C40 C45 169.7(19) . . . . ?
O7 Si3 O5 Si2 -57(2) . . . . ?
O7 Si3 O6 Si8 68.7(17) . . . . ?
O7 Si3 C13 C14 -60(2) . . . . ?
O7 Si3 C13 C18 174.6(17) . . . . ?
O7 Si4 O8 Si5 -60(2) . . . . ?
O7 Si4 O9 Si7 58.2(19) . . . . ?
O7 Si4 C19 C20 -46.7(17) . . . . ?
O7 Si4 C19 C24 73.9(18) . . . . ?
O8 Si4 O7 Si3 65.4(17) . . . . ?
O8 Si4 O9 Si7 -62(2) . . . . ?
O8 Si4 C19 C20 71.3(17) . . . . ?
O8 Si4 C19 C24 -168.2(15) . . . . ?
O8 Si5 O10 Si8 44(2) . . . . ?
O8 Si5 O11 Si6 -23.1(19) . . . . ?
O8 Si5 C25 C26 71(2) . . . . ?
O8 Si5 C25 C30 -53(2) . . . . ?
O9 Si4 O7 Si3 -56.1(17) . . . . ?
O9 Si4 O8 Si5 62(2) . . . . ?
O9 Si4 C19 C20 -167.5(15) . . . . ?
O9 Si4 C19 C24 -47.0(18) . . . . ?
O9 Si7 O4 Si2 68(2) . . . . ?
O9 Si7 O12 Yb1 -104.9(18) . . . . ?
O9 Si7 C34 C35 -52.1(15) . . . . ?
O9 Si7 C34 C39 75.2(16) . . . . ?
O10 Si5 O8 Si4 16(2) . . . . ?
O10 Si5 O11 Si6 -142.3(16) . . . . ?
O10 Si5 C25 C26 -167.1(19) . . . . ?
O10 Si5 C25 C30 68(2) . . . . ?
O10 Si8 O3 Yb1 -7.3(8) . . . . ?
O10 Si8 O3 Si1 159.2(17) . . . . ?
O10 Si8 O6 Si3 -68.8(17) . . . . ?
O10 Si8 C40 C41 -84(2) . . . . ?
O10 Si8 C40 C45 48(2) . . . . ?
O11 Si5 O8 Si4 -100.3(19) . . . . ?
O11 Si5 O10 Si8 162.6(17) . . . . ?
O11 Si5 C25 C26 -50(2) . . . . ?
O11 Si5 C25 C30 -174.4(19) . . . . ?
O12 Si7 O4 Si2 -53(2) . . . . ?
O12 Si7 O9 Si4 52(2) . . . . ?
O12 Si7 C34 C35 70.0(16) . . . . ?
O12 Si7 C34 C39 -162.7(14) . . . . ?
O13 C46 C47 C48 26(3) . . . . ?
C1 Si1 O1 Yb1 -44(2) . . . 3_676 ?
C1 Si1 O1 Yb1 137.3(7) . . . . ?
C1 Si1 O2 Si2 -135.6(14) . . . . ?
C1 Si1 O3 Yb1 -138.1(7) . . . . ?
C1 Si1 O3 Si8 54(2) . . . . ?
C1 C2 C3 C4 57(3) . . . . ?
C2 C1 C6 C5 56(2) . . . . ?
C2 C3 C4 C5 -58(3) . . . . ?
C3 C4 C5 C6 57(3) . . . . ?
C4 C5 C6 C1 -56(3) . . . . ?
C6 C1 C2 C3 -55(2) . . . . ?
C7 Si2 O2 Si1 176.2(14) . . . . ?
C7 Si2 O4 Si7 -170.3(18) . . . . ?
C7 Si2 O5 Si3 162.1(18) . . . . ?
C7 C8 C9 C10 -64(3) . . . . ?
C8 C7 C12 C11 -58(3) . . . . ?
C8 C9 C10 C11 68(3) . . . . ?
C9 C10 C11 C12 -66(3) . . . . ?
C10 C11 C12 C7 60(3) . . . . ?
C12 C7 C8 C9 59(3) . . . . ?
C13 Si3 O5 Si2 -176.1(18) . . . . ?
C13 Si3 O6 Si8 -171.7(16) . . . . ?
C13 Si3 O7 Si4 -173.5(16) . . . . ?
C13 C14 C15 C16 56(4) . . . . ?
C14 C13 C18 C17 52(3) . . . . ?
C14 C15 C16 C17 -58(4) . . . . ?
C15 C16 C17 C18 61(3) . . . . ?
C16 C17 C18 C13 -57(3) . . . . ?
C18 C13 C14 C15 -55(4) . . . . ?
C19 Si4 O7 Si3 -176.3(15) . . . . ?
C19 Si4 O8 Si5 -178.2(18) . . . . ?
C19 Si4 O9 Si7 178.3(17) . . . . ?
C19 C20 C21 C22 -53(3) . . . . ?
C20 C19 C24 C23 -55(3) . . . . ?
C20 C21 C22 C23 55(3) . . . . ?
C21 C22 C23 C24 -59(3) . . . . ?
C22 C23 C24 C19 60(3) . . . . ?
C24 C19 C20 C21 51(3) . . . . ?
C25 Si5 O8 Si4 137.0(19) . . . . ?
C25 Si5 O10 Si8 -77(2) . . . . ?
C25 Si5 O11 Si6 98.4(19) . . . . ?
C25 C26 C27 C28 56(4) . . . . ?
C26 C25 C30 C29 56(3) . . . . ?
C26 C27 C28 C29 -52(4) . . . . ?
C27 C28 C29 C30 52(4) . . . . ?
C28 C29 C30 C25 -59(4) . . . . ?
C30 C25 C26 C27 -54(3) . . . . ?
C31 Si6 O11 Si5 -112.4(18) . . . . ?
C32 Si6 O11 Si5 129.8(17) . . . . ?
C33 Si6 O11 Si5 7(2) . . . . ?
C34 Si7 O4 Si2 179.3(18) . . . . ?
C34 Si7 O9 Si4 177.2(17) . . . . ?
C34 Si7 O12 Yb1 136.3(17) . . . . ?
C34 C35 C36 C37 -56(2) . . . . ?
C35 C34 C39 C38 -53(2) . . . . ?
C35 C36 C37 C38 58(2) . . . . ?
C36 C37 C38 C39 -57(2) . . . . ?
C37 C38 C39 C34 55(2) . . . . ?
C39 C34 C35 C36 53(2) . . . . ?
C40 Si8 O3 Yb1 112.0(9) . . . . ?
C40 Si8 O3 Si1 -81.5(19) . . . . ?
C40 Si8 O6 Si3 168.0(15) . . . . ?
C40 Si8 O10 Si5 106.9(19) . . . . ?
C40 C41 C42 C43 -57(3) . . . . ?
C41 C40 C45 C44 -53(4) . . . . ?
C41 C42 C43 C44 57(3) . . . . ?
C42 C43 C44 C45 -53(3) . . . . ?
C43 C44 C45 C40 53(4) . . . . ?
C45 C40 C41 C42 53(3) . . . . ?
C46 O13 C49 C48 4(3) . . . . ?
C46 C47 C48 C49 -24(4) . . . . ?
C47 C48 C49 O13 12(3) . . . . ?
C49 O13 C46 C47 -18(3) . . . . ?
Yb2 Si9 O14 Yb2 178(2) . . . 3_766 ?
Yb2 Si9 O15 Si10 -30(2) . . . . ?
Yb2 Si9 O16 Si16 134(2) . . . . ?
Yb2 Si16 O16 Si9 -132(3) . . . . ?
Yb2 Si16 O19 Si11 -6(2) . . . . ?
Yb2 Si16 O24 Si13 153.7(16) . . . . ?
Yb2 Si16 C89 C90 22(7) . . . . ?
Yb2 Si16 C89 C94 -148(5) . . . . ?
Yb2 Si16 C95 C96 152(9) . . . . ?
Yb2 Si16 C95 C100 -20(10) . . . . ?
Yb2 O26 C101 C102 176(2) . . . . ?
Yb2 O26 C104 C103 -160(3) . . . . ?
Si9 C50 C51 C52 -177.3(14) . . . . ?
Si9 C50 C55 C54 175.2(15) . . . . ?
Si10 C56 C57 C58 170.7(18) . . . . ?
Si10 C56 C61 C60 -169.4(19) . . . . ?
Si11 C62 C63 C64 179.9(18) . . . . ?
Si11 C62 C67 C66 -179.4(17) . . . . ?
Si12 C68 C69 C70 76(2) . . . . ?
Si12 C68 C73 C72 -77(2) . . . . ?
Si13 C74 C75 C76 177.3(16) . . . . ?
Si13 C74 C79 C78 -179.2(15) . . . . ?
Si15 C83 C84 C85 -176.3(18) . . . . ?
Si15 C83 C88 C87 173.8(17) . . . . ?
Si16 C89 C90 C91 178(5) . . . . ?
Si16 C89 C94 C93 -170(5) . . . . ?
Si16 C95 C96 C97 169(8) . . . . ?
Si16 C95 C100 C99 -175(8) . . . . ?
O14 Si9 O15 Si10 -80.8(19) . . . . ?
O14 Si9 O16 Yb2 17.0(7) . . . . ?
O14 Si9 O16 Si16 151(2) . . . . ?
O15 Si9 O14 Yb2 96.9(7) . . . . ?
O15 Si9 O14 Yb2 -84.7(19) . . . 3_766 ?
O15 Si9 O16 Yb2 -103.9(7) . . . . ?
O15 Si9 O16 Si16 30(2) . . . . ?
O15 Si10 O17 Si15 -71(3) . . . . ?
O15 Si10 O18 Si11 78.4(16) . . . . ?
O15 Si10 C56 C57 179.7(19) . . . . ?
O15 Si10 C56 C61 53(2) . . . . ?
O16 Si9 O14 Yb2 -19.5(8) . . . . ?
O16 Si9 O14 Yb2 158.9(17) . . . 3_766 ?
O16 Si9 O15 Si10 31(2) . . . . ?
O16 Si16 O19 Si11 -57(2) . . . . ?
O16 Si16 O24 Yb2 -2.6(7) . . . . ?
O16 Si16 O24 Si13 151.1(13) . . . . ?
O16 Si16 C89 C90 72(6) . . . . ?
O16 Si16 C89 C94 -98(5) . . . . ?
O16 Si16 C95 C96 -157(10) . . . . ?
O16 Si16 C95 C100 31(9) . . . . ?
O17 Si10 O15 Si9 46(2) . . . . ?
O17 Si10 O18 Si11 -42.4(17) . . . . ?
O17 Si10 C56 C57 -61(2) . . . . ?
O17 Si10 C56 C61 172.4(19) . . . . ?
O17 Si15 O21 Si12 73.7(15) . . . . ?
O17 Si15 O25 Yb2 5.7(19) . . . . ?
O17 Si15 C83 C84 46(2) . . . . ?
O17 Si15 C83 C88 169.3(15) . . . . ?
O18 Si10 O15 Si9 -75.1(19) . . . . ?
O18 Si10 O17 Si15 48(3) . . . . ?
O18 Si10 C56 C57 60(2) . . . . ?
O18 Si10 C56 C61 -66(2) . . . . ?
O18 Si11 O19 Si16 59(2) . . . . ?
O18 Si11 O20 Si12 -72(2) . . . . ?
O18 Si11 C62 C63 -171.4(14) . . . . ?
O18 Si11 C62 C67 69.2(17) . . . . ?
O19 Si11 O18 Si10 -55.8(17) . . . . ?
O19 Si11 O20 Si12 46(2) . . . . ?
O19 Si11 C62 C63 70.1(16) . . . . ?
O19 Si11 C62 C67 -49.3(17) . . . . ?
O19 Si16 O16 Yb2 120.4(7) . . . . ?
O19 Si16 O16 Si9 -11(2) . . . . ?
O19 Si16 O24 Yb2 -120.5(6) . . . . ?
O19 Si16 O24 Si13 33.2(16) . . . . ?
O19 Si16 C89 C90 -165(5) . . . . ?
O19 Si16 C89 C94 25(7) . . . . ?
O19 Si16 C95 C96 -34(12) . . . . ?
O19 Si16 C95 C100 154(7) . . . . ?
O20 Si11 O18 Si10 62.5(17) . . . . ?
O20 Si11 O19 Si16 -61(2) . . . . ?
O20 Si11 C62 C63 -49.1(17) . . . . ?
O20 Si11 C62 C67 -168.5(14) . . . . ?
O20 Si12 O21 Si15 -60.4(16) . . . . ?
O20 Si12 O22 Si13 42(2) . . . . ?
O20 Si12 C68 C69 170.7(15) . . . . ?
O20 Si12 C68 C73 -61.3(18) . . . . ?
O21 Si12 O20 Si11 58(2) . . . . ?
O21 Si12 O22 Si13 -78(2) . . . . ?
O21 Si12 C68 C69 -68.0(18) . . . . ?
O21 Si12 C68 C73 60.0(18) . . . . ?
O21 Si15 O17 Si10 -70(3) . . . . ?
O21 Si15 O25 Yb2 122.9(16) . . . . ?
O21 Si15 C83 C84 -66(2) . . . . ?
O21 Si15 C83 C88 56.8(17) . . . . ?
O22 Si12 O20 Si11 -61(2) . . . . ?
O22 Si12 O21 Si15 57.3(16) . . . . ?
O22 Si12 C68 C69 54.9(18) . . . . ?
O22 Si12 C68 C73 -177.1(15) . . . . ?
O22 Si13 O23 Si14 12.1(19) . . . . ?
O22 Si13 O24 Yb2 85.1(8) . . . . ?
O22 Si13 O24 Si16 -64.9(16) . . . . ?
O22 Si13 C74 C75 54.1(16) . . . . ?
O22 Si13 C74 C79 -68.0(16) . . . . ?
O23 Si13 O22 Si12 122.6(19) . . . . ?
O23 Si13 O24 Yb2 -34.7(9) . . . . ?
O23 Si13 O24 Si16 175.3(13) . . . . ?
O23 Si13 C74 C75 175.7(13) . . . . ?
O23 Si13 C74 C79 53.5(17) . . . . ?
O24 Si13 O22 Si12 6(2) . . . . ?
O24 Si13 O23 Si14 133.3(16) . . . . ?
O24 Si13 C74 C75 -68.9(16) . . . . ?
O24 Si13 C74 C79 168.9(14) . . . . ?
O24 Si16 O16 Yb2 3.0(8) . . . . ?
O24 Si16 O16 Si9 -129(2) . . . . ?
O24 Si16 O19 Si11 57(2) . . . . ?
O24 Si16 C89 C90 -42(6) . . . . ?
O24 Si16 C89 C94 149(5) . . . . ?
O24 Si16 C95 C96 88(11) . . . . ?
O24 Si16 C95 C100 -84(8) . . . . ?
O25 Si15 O17 Si10 52(3) . . . . ?
O25 Si15 O21 Si12 -47.2(17) . . . . ?
O25 Si15 C83 C84 168.1(17) . . . . ?
O25 Si15 C83 C88 -68.9(17) . . . . ?
O26 C101 C102 C103 4(4) . . . . ?
C50 Si9 O14 Yb2 40(2) . . . 3_766 ?
C50 Si9 O14 Yb2 -138.7(7) . . . . ?
C50 Si9 O15 Si10 148.6(18) . . . . ?
C50 Si9 O16 Yb2 141.6(7) . . . . ?
C50 Si9 O16 Si16 -84(2) . . . . ?
C50 C51 C52 C53 -52(2) . . . . ?
C51 C50 C55 C54 -54(2) . . . . ?
C51 C52 C53 C54 53(3) . . . . ?
C52 C53 C54 C55 -53(3) . . . . ?
C53 C54 C55 C50 55(3) . . . . ?
C55 C50 C51 C52 54(2) . . . . ?
C56 Si10 O15 Si9 163.4(18) . . . . ?
C56 Si10 O17 Si15 170(3) . . . . ?
C56 Si10 O18 Si11 -161.1(15) . . . . ?
C56 C57 C58 C59 63(3) . . . . ?
C57 C56 C61 C60 62(3) . . . . ?
C57 C58 C59 C60 -65(4) . . . . ?
C58 C59 C60 C61 62(3) . . . . ?
C59 C60 C61 C56 -58(3) . . . . ?
C61 C56 C57 C58 -60(3) . . . . ?
C62 Si11 O18 Si10 -173.6(14) . . . . ?
C62 Si11 O19 Si16 177.7(19) . . . . ?
C62 Si11 O20 Si12 165.2(18) . . . . ?
C62 C63 C64 C65 56(3) . . . . ?
C63 C62 C67 C66 60(2) . . . . ?
C63 C64 C65 C66 -54(3) . . . . ?
C64 C65 C66 C67 56(3) . . . . ?
C65 C66 C67 C62 -58(3) . . . . ?
C67 C62 C63 C64 -59(3) . . . . ?
C68 Si12 O20 Si11 -178.6(19) . . . . ?
C68 Si12 O21 Si15 -179.7(13) . . . . ?
C68 Si12 O22 Si13 156.9(19) . . . . ?
C68 C69 C70 C71 55(3) . . . . ?
C69 C68 C73 C72 53(3) . . . . ?
C69 C70 C71 C72 -56(3) . . . . ?
C70 C71 C72 C73 56(3) . . . . ?
C71 C72 C73 C68 -54(3) . . . . ?
C73 C68 C69 C70 -53(3) . . . . ?
C74 Si13 O22 Si12 -115.3(19) . . . . ?
C74 Si13 O23 Si14 -108.1(17) . . . . ?
C74 Si13 O24 Yb2 -154.4(8) . . . . ?
C74 Si13 O24 Si16 55.6(16) . . . . ?
C74 C75 C76 C77 56(3) . . . . ?
C75 C74 C79 C78 56(2) . . . . ?
C75 C76 C77 C78 -53(3) . . . . ?
C76 C77 C78 C79 54(3) . . . . ?
C77 C78 C79 C74 -58(3) . . . . ?
C79 C74 C75 C76 -57(2) . . . . ?
C80 Si14 O23 Si13 -115.9(18) . . . . ?
C81 Si14 O23 Si13 126.8(18) . . . . ?
C82 Si14 O23 Si13 7(2) . . . . ?
C83 Si15 O17 Si10 174(3) . . . . ?
C83 Si15 O21 Si12 -172.7(14) . . . . ?
C83 Si15 O25 Yb2 -113.2(17) . . . . ?
C83 C84 C85 C86 -57(3) . . . . ?
C84 C83 C88 C87 -60(3) . . . . ?
C84 C85 C86 C87 58(3) . . . . ?
C85 C86 C87 C88 -58(3) . . . . ?
C86 C87 C88 C83 57(3) . . . . ?
C88 C83 C84 C85 59(3) . . . . ?
C89 Si16 O16 Yb2 -115.0(14) . . . . ?
C89 Si16 O16 Si9 113(3) . . . . ?
C89 Si16 O19 Si11 -178(3) . . . . ?
C89 Si16 O24 Yb2 113(2) . . . . ?
C89 Si16 O24 Si13 -93(3) . . . . ?
C89 C90 C91 C92 22(8) . . . . ?
C90 C89 C94 C93 21(9) . . . . ?
C90 C91 C92 C93 -40(8) . . . . ?
C91 C92 C93 C94 45(7) . . . . ?
C92 C93 C94 C89 -36(8) . . . . ?
C94 C89 C90 C91 -12(9) . . . . ?
C95 Si16 O16 Yb2 -116(4) . . . . ?
C95 Si16 O16 Si9 113(4) . . . . ?
C95 Si16 O19 Si11 180(4) . . . . ?
C95 Si16 O24 Yb2 116(2) . . . . ?
C95 Si16 O24 Si13 -90(3) . . . . ?
C95 C96 C97 C98 47(12) . . . . ?
C96 C95 C100 C99 12(17) . . . . ?
C96 C97 C98 C99 -59(11) . . . . ?
C97 C98 C99 C100 38(10) . . . . ?
C98 C99 C100 C95 -21(14) . . . . ?
C100 C95 C96 C97 -19(12) . . . . ?
C101 O26 C104 C103 30(4) . . . . ?
C101 C102 C103 C104 13(4) . . . . ?
C102 C103 C104 O26 -25(4) . . . . ?
C104 O26 C101 C102 -19(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.089 0.132 0.135 20.8 0.0 ?
2 0.089 0.368 0.635 20.8 0.0 ?
3 -0.089 0.632 0.365 20.8 0.5 ?
4 -0.089 0.868 0.865 20.8 0.5 ?
5 0.433 0.677 0.280 218.2 82.8 '2.1 THF'
6 0.433 0.823 0.780 218.2 82.8 '2.1 THF'
7 0.567 0.177 0.220 218.2 81.8 '2.1 THF'
8 0.567 0.323 0.720 218.2 81.8 '2.1 THF'
9 0.500 0.056 0.813 7.9 1.8 ?
10 0.500 0.444 0.312 7.9 1.8 ?
11 0.500 0.556 0.688 7.9 1.8 ?
12 0.500 0.944 0.188 7.9 1.8 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
